| (+)-Matrine |
GPCR related |
Sophora flavescens|Planchonia grandis|Plathymenia reticulata|Syzygium polycephaloides|Pteridium esculentum|Abelia chinensis|Siphonaria capensis|Lycogala epidendrum|Sophorae tonkinensis radix et rhizome|Lemaireocereus longispinus|Embelia schimperi|Cordia leucocephala|Sophorae flavescentis radix|Latrunculia magnifica|Eria anomala|Sophora tonkinensis|Asimina parviflora|Erythrina melanacantha|Hypericum styphelioides|Myxococcus stipitatus|Theonella conica|Morella rubra|Faramea salicifolia|Chondrodendron tomentosum|Conus mus|Vellozia nanuzae|Monsonia senegalensis|Piper regnellii|Pancratium sickenbergeri|Onopordum acanthium|Rhinella marina|Helichrysum tenuifolium|Clerodendrum bungei|Embelia parviflora|Esenbeckia leiocarpa|Shigella dysenteriae|Simarouba glauca|Diospyros assimilis|Baccharis neglecta|Gymnocalycium schickendantzii|Centaurea maculosa|Lythrum salicaria|Tricholoma columbetta|Vernonia fagifolia|Dendronephthya griffini|Aplophyllum alberti-regelii|Haplophyllum obtusifolium|Euphorbia nematocypha|Dolabella californica|Erysimum leptophyllum|Epilobium hirsutum|Ephedra sinica|Sophora alopecuroides| |
Path=EIF4E pathway|N/A|MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|CASP3 pathway|FAS pathway|FASLG pathway|Gen=Opioid Receptor|Org=Hepatitis B virus|Histone acetyltransferase GCN5 - Homo sapiens |Org= Plasmodium falciparum|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus |Org= Hepatitis B virus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioma|Chronic Myelogenous Leukemia|Esophageal and Esophagogastric Junction Cancers|Esophageal squamous cell carcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Gen=Neuronal Signaling |
3D viewer |
Pubchem |
|
91466 |
519-02-8 |
C1CC2C3CCCN4C3C(CCC4)CN2C(=O)C1 |
|
248.36000 |
C15H24N2O |
1.417 |
1 |
0 |
23.60 |
0.0 |
18 |
4 |
Matrine((+)-Matrine) is an alkaloid found in plants from the Sophora family, which has a variety of pharmacological effects, including anti-cancer effects, and action as a kappa opioid receptor agonist. |
N/A |
| Eupatilin |
immunology inflammation |
Aemisia princeps|Streptomyces althioticus|Aceriphyllum rossii|Lactarius scrobiculatus|Eupatorium semiserratum|Salvia officinalis|Vitex madiensis|Chrysanthemum indicum|Bassia butyracea|Citrus reticulata|Anaxagorea clavata|Helianthus mollis|Glaucium vitellinum|Artemisia rubripes|Taxodium mucronatum|Arnica nevadensis|Citrus reticulate|Rhizobium phaseoli|Quercus aegilops|Senecio squalidus|Aria pallescens|Pteris prolifera|Chloranthus tianmushanensis|Ficus formosana|Folium artemisiae argyi|Bellis perennis|Kaempferia pulchra|Chrysanthemi flos|Pandanus amaryllifolius|Bursaria spinosa|Schizonepetae spica|Chromolaena odorata|Pyrosoma giganteum|Artemisia argyi|Odixia angusta|Cladonia evansii|Thymus godayanus|Teucrium lancifolium|Stenostomum lucidum|Artemisia montana|Coccus fagi|Pseudopterogorgia kallos|Artemisia princeps|Wallemia sebi|Stachys glutinosa|Pterocarpus grandiflorus|Prosopis glandulosa|Chrysanthemum x morifolium|Werneria nubigena|Drosera peltata|Artemisia monogyna|Dioscorea japonica|Ilex affinis|Hypericum henryi|Securidaca inappendiculata|Dipterocarpus alatus|Chromolaena pulchella|Fusarium gibbosum|Beyeria brevifolia|Echinops amplexicaulis|Artemisia anomala|Gardenia fosbergii|Othonna coronopifolia|Alligator mississippiensis|Isodon kameba|Sium lineare|Dendrosenecio kilimanjari|Araujia sericifera|Seriphidium cinum|Taxus chienii|Clonostachys rosea|Epaltes gariepina|Pheidole pallidula|Eupatorium japonicum|Agnorhiza bolanderi|Salvia mellifera|Simira eliezeriana|Actinopyga lecanora|Polysiphonia urceolata|Prunus laurocerasus|Sesbania punicea |
Path=CASP3 pathway|CASP7 pathway|CASP9 pathway|CYCS pathway|CCND1 pathway|CDKN1A pathway|JUN pathway|JUND pathway|MAPK14 pathway|TFF1 pathway|Gen=Others|Cannabinoid CB1 receptor - Homo sapiens | Cannabinoid CB2 receptor - Homo sapiens | Delta opioid receptor - Mus musculus | Delta opioid receptor - Homo sapiens | Mu opioid receptor - Homo sapiens | Mu opioid receptor - Mus musculus | Kappa opioid receptor - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|mammary gland fibrocystic disease |Gastrointestinal Cancer|Gastric carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
5273755 |
22368-21-4 |
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O)OC)O)OC |
DRRWBCNQOKKKOL-UHFFFAOYSA-N |
344.32000 |
C18H16O7 |
2.603 |
5 |
2 |
94.40 |
4.0 |
25 |
3 |
Eupatilin, a major flavonoid from Artemisia plants, possesses various beneficial biological effects including anti-inflammation, anti-tumor, anti-cancer, anti-allergy, and anti-oxidation activity. |
NSC 122413 |
| Mercaptopurine (6-MP) |
immunology inflammation |
Origanum dictamnus|allium porrum|Entada africana|Lantana fucata |
Gen=DNA/RNA Synthesis|Cellular tumor antigen p53 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Transcriptional regulator ERG - Homo sapiens | Androgen Receptor - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | Cyclooxygenase-1 - Homo sapiens | Solute carrier family 22 member 8 - Rattus norvegicus | Lysine-specific demethylase 4D-like - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Survival motor neuron protein - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Lysine-specific demethylase 4A - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Purine nucleoside phosphorylase - Mycobacterium tuberculosis |Org= Mycobacterium avium subsp. paratuberculosis | Plasmodium falciparum | Escherichia coli | Leishmania amazonensis | Bacillus anthracis | Mycobacterium avium |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Non-small Cell Lung Cancer|Bronchioalveolar Carcinoma|Gen=DNA Damage |
3D viewer |
Pubchem |
3BGD 3NS1 |
667490 |
50-44-2 |
C1=NC2=C(N1)C(=S)N=CN2 |
GLVAUDGFNGKCSF-UHFFFAOYSA-N |
152.18000 |
C5H4N4S |
0.367 |
2 |
2 |
85.20 |
0.0 |
10 |
2 |
Mercaptopurine is a widely used antileukemic agent and immunosuppressive drug that inhibits de novo purine synthesis through incorporation of thiopurine methyltransferase metabolites into DNA and RNA. |
N/A |
| Gallic acid |
immunology inflammation |
Terminalia arjuna|Punica granatum|Diospyros lotus|Phyllanthus emblica|Rhynchosia volubilis|Caesalpinia ferrea| |
Path=CASP3 pathway|BCL2 pathway|BAX pathway|Gen=ROS |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Kidney Cancer|kidney cancer|Renal Cell Adenocarcinoma|Melanoma|malignant melanoma|Murine Melanoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Non-small Cell Lung Cancer|large cell carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
4Z5X 4IC0 3WKU 3WPM |
370 |
149-91-7 |
C1=C(C=C(C(=C1O)O)O)C(=O)O |
LNTHITQWFMADLM-UHFFFAOYSA-N |
170.12000 |
C7H6O5 |
0.733 |
1 |
3 |
98.00 |
1.0 |
12 |
|
Gallic acid, known as powerful antioxidants, is an organic acid found in a variety of foods and herbs. |
3,4,5-Trihydroxybenzoic acid, Gallate, Benzoic acid |
| (-)Epicatechin |
immunology inflammation |
Hamamelis virginiana|Salix hulteni|Diospyros kaki|Ulmus davidiana|Litchi chinensis|Theobroma cocoa|Polygonum cuspidatum|Centella asiatica|Rheum officinale|Polyporus ellisii|Uncariae ramulus cumuncis|Ampelopsis japonica|Chaenomeles sinensis|Rheum palmatum|Spirographis spallanzani|Herbahypericiperforati|Houttuynia cordata|Chaenomeles speciosa|Rheum tanguticum|Cissus quinquefolia|Areca catechu|Hippophae rhamnoides|Cinamomum cassia|Rosa laevigata|Dioscoreaebulbiferae|Eucommia ulmoides|Cinnamomum aromaticum|Sargentodoxa cuneata|Rabdosia rosthornii|Agrimonia pilosa|Crataegus pinnatifida|Smilax china|Streptomyces libani|Lysimachiae herba|Drynaria fortunei|Cynomorium songaricum|Smilax glabra|Laurencia snyderae|Rhizoma fagopyri cymosi|Rumex japonicus|Solanum nigrum|Celastri orbiculati fructus|Crataegi folium|Fagopyrum dibotrys|Spatholobus suberectus|Hordei fructus germinatus|Semen aesculi|Euphorbia hirta|Thymus quinquecostatus|Gleditsiae fructus|Apocyniveneti folium|Morus alba|Ginkgo biloba|Thymus vulgaris|Phaseoli semen|Scutellaria baicalensis|Gleditsia japonica|Uncaria gambir|Herba pyrolae|Uncaria sinensis|Gleditsia sinensis|Uncaria macrophylla|Folium nelumbinis|Poria cocos|Uncaria rhynchophylla|Hippophae fructus|Polygonum orientale|Humulus lupulus|Nelumbo nucifera|Hypericum perforatum|Vigna angularis|Vigna umbellata|Actinidia chinensis planch|Lilium brownii|Vigna umbeuata|Amomum tsao-ko|Dimocarpus longan|Lilium lancifolium|Vitex negundo|Eucommiae cortex|Portulaca oleracea|Zanthoxylum bungeanum|Rumex nepalensis|Zanthoxylum piperitum|Cinnamomi ramulus|Lilium pumilum|Perilla frutescens|Zanthoxylum schinifolium|Arecae semen|Paeonia lactiflora|Morus bombycis|Ixeris tamagawaensis|Zingiber officinale|Gleditsiae spina|Murraya exotica|Senecio dryophyllus|Ziziphus jujuba|Abutilon theophrasti|Murraya paniculata|Senecio sinuatus|Hymenopenaeus sibogae|Senegalia catechu|Orostachys fimbriata|Heliomeris multiflora|Casimiroa tetrameria|Inula graveolens|Aloe africana|Orostachys japonicus|Aster koraiensis|green tea|Aloe vera|Aloe ferox|Bactrocera cucumis|Collisella limatula|Aloe spicata|Fallopia multiflora|Solanum giganteum|Aglaia oligophylla|Ageratum houstonianum|Apocynum venetum|Prunus mume|Ligularia dentata|Aspergillus heterothallicus|Punica granatum|Colchicum speciosum|Boehmeria nivea|Rheum coreanum|Licania pittieri |
Path=MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|Gen=ROS|Neuraminidase - Influenza A virus | Fatty acid synthase - Homo sapiens | Cyclooxygenase-1 - Ovis aries | Beta-secretase 1 - Homo sapiens |Org= Meloidogyne incognita | Plasmodium falciparum |
Dis=Hepatobiliary Cancer|Hepatoma|Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Neuroblastoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
4MA6 6AX0 6AWV 6AWT |
72276 |
490-46-0 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
PFTAWBLQPZVEMU-AFYYWNPRSA-N |
290.27000 |
C15H14O6 |
2.021 |
1 |
5 |
110.00 |
1.0 |
21 |
3 |
(?)Epicatechin is a flavonoid present in cocoa, green tea and red wine. It is a strong antioxidant, has insulin mimic action and improves heart health. |
L-Epicatechin, (-)-Epicatechol |
| (+)-Catechin |
immunology inflammation |
Hamamelis virginiana|Salix hulteni|Diospyros kaki|Ulmus davidiana|Litchi chinensis|Theobroma cocoa|Polygonum cuspidatum|Centella asiatica|Rheum officinale|Polyporus ellisii|Uncariae ramulus cumuncis|Ampelopsis japonica|Chaenomeles sinensis|Rheum palmatum|Spirographis spallanzani|Herbahypericiperforati|Houttuynia cordata|Chaenomeles speciosa|Rheum tanguticum|Cissus quinquefolia|Areca catechu|Hippophae rhamnoides|Cinamomum cassia|Rosa laevigata|Dioscoreaebulbiferae|Eucommia ulmoides|Cinnamomum aromaticum|Sargentodoxa cuneata|Rabdosia rosthornii|Agrimonia pilosa|Crataegus pinnatifida|Smilax china|Streptomyces libani|Lysimachiae herba|Drynaria fortunei|Cynomorium songaricum|Smilax glabra|Laurencia snyderae|Rhizoma fagopyri cymosi|Rumex japonicus|Solanum nigrum|Celastri orbiculati fructus|Crataegi folium|Fagopyrum dibotrys|Spatholobus suberectus|Hordei fructus germinatus|Semen aesculi|Euphorbia hirta|Thymus quinquecostatus|Gleditsiae fructus|Apocyniveneti folium|Morus alba|Ginkgo biloba|Thymus vulgaris|Phaseoli semen|Scutellaria baicalensis|Gleditsia japonica|Uncaria gambir|Herba pyrolae|Uncaria sinensis|Gleditsia sinensis|Uncaria macrophylla|Folium nelumbinis|Poria cocos|Uncaria rhynchophylla|Hippophae fructus|Polygonum orientale|Humulus lupulus|Nelumbo nucifera|Hypericum perforatum|Vigna angularis|Vigna umbellata|Actinidia chinensis planch|Lilium brownii|Vigna umbeuata|Amomum tsao-ko|Dimocarpus longan|Lilium lancifolium|Vitex negundo|Eucommiae cortex|Portulaca oleracea|Zanthoxylum bungeanum|Rumex nepalensis|Zanthoxylum piperitum|Cinnamomi ramulus|Lilium pumilum|Perilla frutescens|Zanthoxylum schinifolium|Arecae semen|Paeonia lactiflora|Morus bombycis|Ixeris tamagawaensis|Zingiber officinale|Gleditsiae spina|Murraya exotica|Senecio dryophyllus|Ziziphus jujuba|Abutilon theophrasti|Murraya paniculata|Senecio sinuatus|Hymenopenaeus sibogae|Senegalia catechu|Orostachys fimbriata|Heliomeris multiflora|Casimiroa tetrameria|Inula graveolens|Aloe africana|Orostachys japonicus|Aster koraiensis|green tea|Aloe vera|Aloe ferox|Bactrocera cucumis|Collisella limatula|Aloe spicata|Fallopia multiflora|Solanum giganteum|Aglaia oligophylla|Ageratum houstonianum|Apocynum venetum|Prunus mume|Ligularia dentata|Aspergillus heterothallicus|Punica granatum|Colchicum speciosum|Boehmeria nivea|Rheum coreanum|Licania pittieri |
Path=MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|Gen=ROS|Neuraminidase - Influenza A virus | Fatty acid synthase - Homo sapiens | Cyclooxygenase-1 - Ovis aries | Beta-secretase 1 - Homo sapiens |Org= Meloidogyne incognita | Plasmodium falciparum |
Dis=Hepatobiliary Cancer|Hepatoma|Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Neuroblastoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
4C9I 4C94 3I52 |
9064 |
154-23-4 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
PFTAWBLQPZVEMU-DZGCQCFKSA-N |
290.27000 |
C15H14O6 |
2.021 |
1 |
5 |
110.00 |
1.0 |
21 |
3 |
Cianidanol is an antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms. |
Cianidanol, Catechinic acid, Catechuic acid |
| Cyclosporin A |
immunology inflammation |
Mycale hentscheli |
Gen=Immunology & Inflammation related|immunosuppressant |
Dis=Acute Myeloid Leukemia|Acute Myeloid Leukemia|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
1MIK |
5284373 |
59865-13-3 |
CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C |
PMATZTZNYRCHOR-IMVLJIQESA-N |
1202.61000 |
C62H111N11O12 |
4.333 |
11 |
5 |
279.00 |
15.0 |
85 |
|
Cyclosporin A is an immunosuppressive agent, binds to the cyclophilin and then inhibits calcineurin with IC50 of 7 nM in a cell-free assay, widely used in organ transplantation to prevent rejection. |
Cyclosporine A |
| Eleutheroside B |
immunology inflammation |
Kalopanax pictus |
Gen=Immunology & Inflammation related |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
|
5316860 |
118-34-3 |
COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CCO |
QJVXKWHHAMZTBY-UHFFFAOYSA-N |
372.37000 |
C17H24O9 |
-0.512 |
4 |
5 |
138.00 |
7.0 |
26 |
|
Eleutheroside B (syringin) is a phenylpropanoid glycoside first isolated from A. senticosus and has neuroprotective, tonic, adaptogenic, and immune-modulating properties. |
syringin, Syringoside, Lilacin |
| Carvacrol |
immunology inflammation |
Satureja hortensis |
Gen=Others |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Gen=Others |
3D viewer |
Pubchem |
|
10364 |
499-75-2 |
CC1=C(C=C(C=C1)C(C)C)O |
RECUKUPTGUEGMW-UHFFFAOYSA-N |
150.22000 |
C10H14O |
3.268 |
0 |
1 |
20.20 |
1.0 |
11 |
|
Carvacrol, monoterpenic phenol isomeric with thymol, has diverse activities such as antimicrobial, antitumor, an-timutagenic, antigenotoxic, analgesic, antispasmodic, anti-inflammatory, angiogenic, antiparasitic, antiplatelet, AChE inhibitory, antielastase, insecticidal, antihepatotoxic and hepatoprotective activities. |
cymophenol |
| Scopoletin |
immunology inflammation |
Artemisia argyi|Gelsemium sempervirens| |
Path=BIRC5 pathway|CCND1 pathway|PCNA pathway|STAT3 pathway|CASP3 pathway|TP53 pathway|Gen=Immunology & Inflammation related |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Melanoma|malignant melanoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
|
5280460 |
92-61-5 |
COC1=C(C=C2C(=C1)C=CC(=O)O2)O |
RXXROUJXJUCLTH-UHFFFAOYSA-N |
192.17000 |
C10H8O4 |
1.641 |
3 |
1 |
55.80 |
1.0 |
14 |
|
Scopoletin is the main bioactive constituent of flower buds from Magnolia fargesii with anti-inflammatory, hypouricemic, and antioxidant activities. |
Esculetin 6-methyl ether, Gelseminic acid, 6-Methylesculetin, Chrysatropic acid |
| Eucalyptol |
immunology inflammation |
Satureja montana |
Gen=Immunology & Inflammation related |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
|
2758 |
470-82-6 |
CC1(C2CCC(O1)(CC2)C)C |
WEEGYLXZBRQIMU-UHFFFAOYSA-N |
154.25000 |
C10H18O |
2.147 |
1 |
0 |
9.20 |
0.0 |
11 |
|
Eucalyptol is a natural organic compound which controls airway mucus hypersecretion and asthma via anti-inflammatory cytokine inhibition. |
1,8-cineol; 1,8-cineole|cajeputol; 1,8-epoxy-p-menthane; 1,8-oxido-p-menthane; cineol; cineole |
| Protocatechuic acid |
immunology inflammation |
Hibiscus sabdariffa|Inonotus obliquus|Lonicera japonica| |
Path=BCL2 pathway|BAX pathway|NFKB3 pathway|MAPK14 pathway|MAPK8 pathway|Gen=Others |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Gen=Others |
|
|
2BUV 3PCA 1B4U 3LMX |
|
99-50-3 |
C1=CC(=C(C=C1C(=O)O)O)O |
YQUVCSBJEUQKSH-UHFFFAOYSA-N |
154.12000 |
C7H6O4 |
0.975 |
1 |
2 |
77.80 |
1.0 |
11 |
|
Protocatechuic acid (PCA), a dihydroxybenzoic acid, is a type of widely distributed naturally occurring phenolic acid. |
3,4-Dihydroxybenzoic acid, Protocatechuate |
| Cyclosporine |
immunology inflammation |
Mycale hentscheli |
Gen=phosphatase,Immunology & Inflammation related|immunosuppressant |
Dis=Acute Myeloid Leukemia|Acute Myeloid Leukemia|Gen=Others |
3D viewer |
Pubchem |
4Y0Z 1YLC 1YLD 1WZ5 |
6435893 |
79217-60-0 |
CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C |
PMATZTZNYRCHOR-CGLBZJNRSA-N |
1202.61000 |
C62H111N11O12 |
4.333 |
11 |
5 |
279.00 |
15.0 |
85 |
|
Cyclosporine is a calcineurin phosphatase pathway inhibitor, used as an immunosuppressant drug to prevent rejection in organ transplantation. |
cyclosporin A|cyclosporine|Ciclosporin|59865-13-3|Ciclosporine|Neoral|Cyclosporine A|Cyclosporin|Ciclosporina|Ciclosporinum|Sandimmune|Equoral|Neoplanta|Sandimmun|Sang-35|Gengraf|Sandimmun Neoral|UNII-83HN0GTJ6D|Antibiotic S 7481F1|Consupren|Restasis|Ramihyphin A|SangCyA|83HN0GTJ6D|MLS001333756|CHEBI:4031|CSA|S-Neoral|Cipol N|Sigmasporin Microoral|Sang 35|DSSTox_CID_365|Ciclosporine [INN-French]|Ciclosporinum [INN-Latin]|Ciclosporina [INN-Spanish]|Ciclosporin (Ciclosporin A)|DSSTox_RID_75541|DSSTox_GSID_20365|SDZ-OXL 400|OL 27-400|CCRIS 1590|HSDB 6881|Abrammune|Imusporin|Seciera|Vekacia|DRG-0275|Papilock Mini|Arpimune ME|Zinograf ME|Sandimmune Neoral|C62H111N11O12|NSC 290193|Ciclosporina Germed|S 7481F1|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone|CYA|SMR000058578|Cicloral (antibiotic)|Debio088|79217-60-0|Cyclosporine [USAN:USP]|Sigmasporin|Cyclokat|Mitogard|Papilock|Pulminiq|Zyclorin|CicloMulsion|CyclosporinA|Ciclosporin DT|Consupren S|NSC290193|Modusik-A|NeuroSTAT|1cyn|2wfj|4jjm|Cipol-N|NCGC00016890-01|Neoral, Sandimmune|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,2|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19|(R-(R*,R*-(E)))-Cyclic(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-3-hydroxy-N,4-dimethyl-L-2-amino-6-octenoyl-L-alpha-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl)|Cyclo(((E)-(2S,3R,4R)-3-hydroxy-4-methyl-2-(methylamino)-6-octenoyl)-L-2-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl)|Cyclo(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-((3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methylleucyl)|Cyclo[[(E)-(2S,3R,4R)-3-hydroxy-4-methyl-2-(methylamino)-6-octenoyl]-L-2-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl]|Prestwick_731|Ciclosporin [INN]|CAS-59865-13-3|CsA & IFN.alpha.|1c5f|2z6w|Prestwick2_000435|Prestwick3_000435|CHEMBL160|Sang-2000|AC1NR4C4|SCHEMBL3491|SCHEMBL4442|Nova-22007|Ikervis (opthalmic solution)|BSPBio_000450|Cyclosporin A & IFN.alpha.|MLS000028376|MLS002153454|MLS002207033|Verkazia (opthalmic solution)|BPBio1_000496|GTPL1024|DTXSID0020365|CHEBI:92233|AOB2581|ATH-002|OLO-400|CB-01-09 MMX|MolPort-006-705-994|PMATZTZNYRCHOR-CGLBZJNRSA-N|HMS1569G12|HMS2089A09|HMS2096G12|HMS2230M14|HMS3713G12|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone|(R-[R*,R*-(E)])-Cyclic(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-3-hydroxy-N,4-dimethyl-L-2-amino-6-octenoyl-L-alpha-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl)|1,11-cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(E)-(2S,3R,4R)-2-amino-3-hydroxy-N,4-dimethyloct-6-enoyl-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucine]|30-Ethyl-33-(1-hydroxy-2-methyl-hex-4-enyl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone|30-ethyl-33-[(4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone|30-ethyl-33-[(4E)-1-hydroxy-2-methylhex-4-en-1-yl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone|Cyclo(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-((3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl)-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methylleucyl)|Tox21_110667|Tox21_301849|BDBM50022815|DE-076|MFCD00274558|ST-603|Cyclosporin A, >=98.5% (TLC)|AKOS015969287|AKOS015994720|Tox21_110667_1|CCG-208184|DB00091|EBD2126862|KS-1257|NCGC00093704-12|NCGC00164258-01|NCGC00164258-02|NCGC00164258-03|NCGC00255232-01|AT-12519|C042|OL-27400|SBI-0050230.P003|AB0090560|5946-EP0930075A1|5946-EP2289877A1|5946-EP2292601A1|5946-EP2292602A1|5946-EP2292603A1|5946-EP2292604A2|5946-EP2292618A1|5946-EP2293650A1|5946-EP2298737A1|5946-EP2298739A1|5946-EP2298740A1|5946-EP2298741A1|5946-EP2298771A2|5946-EP2301920A1|5946-EP2301940A1|5946-EP2308843A1|5946-EP2308861A1|J10181|J90049|865C133|Cyclosporin A, VETRANAL(TM), analytical standard|SR-01000780563|BMT-ABA-SAR-MLE-VAL-MLE-ALA-ALA-MLE-MLE-MVA|BMT-ABA-SAR-MLE-VAL-MLE-ALA-DAL-MLE-MLE-MVA|Q-200913|SR-01000780563-3|BRD-K03222093-001-01-8|BRD-K13533483-001-03-0|Ciclosporin, European Pharmacopoeia (EP) Reference Standard|Cyclosporin A, from Tolypocladium inflatum, >=95% (HPLC), solid|Cyclosporine, United States Pharmacopeia (USP) Reference Standard|Ciclosporin for system suitability, European Pharmacopoeia (EP) Reference Standard|Cyclosporin A, from Tolypocladium inflatum, BioReagent, for molecular biology, >=95%|Cyclosporine, Pharmaceutical Secondary Standard; Certified Reference Material|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,1|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone|104250-72-8|223528-56-1|30-Ethyl-33-((E)-1-hydroxy-2-methyl-hex-4-enyl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,28-octamethyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone|56645-58-0| |
| Schizandrol A |
immunology inflammation |
Schisandra chinensis|Schisandra fructus|Lagerstroemia indica|Schisandra sphenanthera|Schisandra rubriflora|Croton megistocarpus|Kadsura angustifolia|schisandra sphenathera|Trigonella foenum-graecum|Schisandra neglecta|Cacospongia scalaris|Baphicacanthus cusia|Persea kusanoi|Senecio isatideus|Geranium sibiricum |
Path=CCNA1 pathway|CCNB1 pathway|CCND1 pathway|CDK4 pathway|CDKN1A pathway|CDKN1B pathway|Gen=Others|Multidrug resistance-associated protein 1 - Homo sapiens | Nonstructural protein 1 - Influenza A virus |Org= Artemia salina | Human immunodeficiency virus 1 | Plasmodium falciparum |
Dis=Breast Cancer|Ductal Adenocarcinoma|Breast Carcinoma|Central Nervous System Cancers|Glioma|Cervical Cancer|Cervical Carcinoma Papilloma |Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|epidermoid carcinoma of the nasopharynx|Hepatobiliary Cancer|Hepatocellular Carcinoma|Neuroendocrine Tumors|Pheochromocytoma|Gen=Others |
3D viewer |
Pubchem |
|
23915 |
7432-28-2 |
CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)OC)OC)OC)OC)OC)OC |
|
432.51000 |
C24H32O7 |
4.05 |
6 |
0 |
75.60 |
6.0 |
31 |
3 |
Schizandrol A is one of the effective components in the dried fruit of Schizandra chinensis Bail and works by increasing dopamine, a neurotransmitter, in the brain. |
N/A |
| Carnosic acid |
immunology inflammation |
Rosmarinus officinalis|Chamaemelum fuscatum|Isodon adenolomus|Salvia officinalis|Achyrocline bogotensis|Tylophora atrofolliculata|Caria ino|Verbesina virgata|Dasymaschalon blumei|Penicillium pedemontanum|Cetraria ciliaris|Alstonia yunnanensis|Acer pictum subsp. okamotoanum|Protoparmeliopsis peltata|Doriopsilla areolata|Dalea versicolor|Sideritis cystosiphon|Senecio fuertesii|Scutellaria albida|Pholiota adiposa|Felimare midatlantica|Aspilia hispida|Blepharisma japonicum|Arthropsis truncata|Stachys tuberifera|Thymus quinquecostatus|Thymus vulgaris|Exodermis poria |
Gen=ROS|Protease - Human immunodeficiency virus 1 | Microtubule-associated protein tau - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Arachidonate 12-lipoxygenase - Homo sapiens | Vitamin D receptor - Homo sapiens | Ferritin light chain - Equus caballus | Arachidonate 15-lipoxygenase, type II - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | Pancreatic lipase - Homo sapiens | Prostaglandin E synthase - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis |Org= Human immunodeficiency virus 1 |
Dis=Acute Myeloid Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
|
65126 |
3650-09-7 |
CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)O |
|
332.43000 |
C20H28O4 |
4.905 |
1 |
2 |
77.80 |
2.0 |
24 |
3 |
Carnosic acid is a phenolic diterpene, endowed with antioxidative and antimicrobial properties. It is increasingly used within food, nutritional health and cosmetics industries. |
salvin |
| Oleuropein |
immunology inflammation |
Olea europaea|Syringa reticulata|Euodia bodinieri|Euodia officinalis|Euodia ruticarpa|Tetradium ruticarpum|Fraxinus chinensis|Fraxinus chinensis subsp. rhynchophylla|Fraxinus stylosa|Fraxinus szaboana |
Gen=ROS|Arachidonate 5-lipoxygenase - Homo sapiens |Org= Verticillium dahliae |
Dis=Acute Myeloid Leukemia|Erythroleukemia|Bladder Cancer|Transitional Cell Carcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Kidney Cancer|Renal Cell Adenocarcinoma|Melanoma|malignant melanoma|Soft Tissue Sarcoma|Sarcoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
|
5281544 |
32619-42-4 |
CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC(=C(C=C3)O)O |
|
540.51000 |
C25H32O13 |
0.166 |
7 |
6 |
202.00 |
11.0 |
38 |
3 |
Oleuropein is an antioxidant polyphenol isolated from olive leaf. Phase 2. |
N/A |
| Xanthohumol |
immunology inflammation |
Humulus lupulus|Abelia chinensis|Hoffmannia strigillosa|Artemisia dentata|Vellozia nanuzae|Faramea salicifolia|Dendronephthya griffini|Piper regnellii|Buddleja cordata|Prorocentrum micans|Gymnocalycium schickendantzii|Rapanea lancifolia|Theonella conica|Lythrum salicaria|Syncarpia hillii|Centaurea maculosa|Latrunculia magnifica|Rhinella marina|Asimina parviflora|Helichrysum tenuifolium|Morella rubra|Lemaireocereus griseus|Ephedra sinica|Syzygium polycephaloides|Erysimum leptophyllum|Pteridium esculentum|Myxococcus stipitatus|Onopordum acanthium|Atalantia racemosa|Sophora flavescens|Lemaireocereus longispinus|Baccharis neglecta|Millettia erythrocalyx|Atraphaxis spinosa|Xenoacremonium recifei|Aplophyllum alberti-regelii|Negombata magnifica|Cordia leucocephala|Conus mus|Dolabella californica|Scorzonera pseudodivaricata|Buphane fischeri|Crambe tatarica|Simarouba glauca|Monsonia senegalensis|Shigella dysenteriae|Embelia schimperi|Alkanna cappadocica|Clerodendrum bungei|Diospyros eriantha|Plathymenia reticulata|Chondrodendron tomentosum|Lycogala epidendrum|Epilobium hirsutum|Haplophyllum obtusifolium|Ononis vaginalis|Hypericum styphelioides|Eria anomala|Tricholoma columbetta|Pteris semipinnata|Euphorbia nematocypha|Embelia parviflora|Pancratium sickenbergeri|Juniperus rigida var. conferta|Fritillaria ningguoensis|Erythrina melanacantha|Vernonia fagifolia|Esenbeckia leiocarpa|Siphonaria capensis|Planchonia grandis|Diospyros assimilis|Salvia hispanica|Mycobacterium leprae |
Path=IL6 pathway|ALPL pathway|PSEN2 pathway|VWF pathway|MKI67 pathway|BAX pathway|BCL2 pathway|BCL2L1 pathway|PARP1 pathway|CASP3 pathway|CASP7 pathway|CASP8 pathway|CASP9 pathway|Gen=COX|Protein kinase C alpha - Homo sapiens | Arachidonate 5-lipoxygenase - Homo sapiens | Prostaglandin E synthase - Homo sapiens | Lymphocyte antigen 96 - Homo sapiens | 3-phosphoinositide dependent protein kinase-1 - Homo sapiens |Org= Human immunodeficiency virus 1 | Plasmodium falciparum |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Bone Cancer|Osteosarcoma|Breast Cancer|Breast Adenocarcinoma|Ductal Adenocarcinoma|Central Nervous System Cancers|Neruoblastoma|Neuroblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Soft Tissue Sarcoma|Sarcoma|Gen=Metabolism |
3D viewer |
Pubchem |
|
639665 |
6754-58-1 |
CC(=CCC1=C(C=C(C(=C1O)C(=O)C=CC2=CC=C(C=C2)O)OC)O)C |
|
354.40000 |
C21H22O5 |
4.816 |
2 |
3 |
87.00 |
6.0 |
26 |
2 |
Xanthohumol, a prenylated chalcone from hop, inhibits COX-1 and COX-2 activity and shows chemopreventive effects. Phase 1. |
N/A |
| Aloperine |
immunology inflammation |
Sophora flavescens |
Path=BCL2 pathway|PARP1 pathway|Gen=Anti-infection |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Esophageal and Esophagogastric Junction Cancers|Esophageal squamous cell carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=Microbiology |
3D viewer |
Pubchem |
|
162147 |
56293-29-9 |
C1CCN2CC3CC(C2C1)C=C4C3NCCC4 |
|
232.36000 |
C15H24N2 |
1.998 |
0 |
1 |
15.30 |
0.0 |
17 |
|
Aloperine is an isolated alkaloid in sophora plants such as Sophora alopecuroides L, and exhibits anti-inflammatory, antibacterial, antiviral, and anti-tumor properties. |
N/A |
| Naringenin |
Inhibitors |
Citrus spp|Salix hulteni|Cirsium setosum|Scutellaria barbata|Chrysanthemum x morifolium|Smilax china|Citrus aurantium|Smilax glabra|Citrus maxima|Solanum nigrum|Citrus natsudaidai|Citrus sinensis|Crocus sativus|Sophora japonica|Dalbergia odorifera|Spatholobus suberectus|Dendrobium candidum|Thymus quinquecostatus|Dendrobium chrysanthum|Thymus vulgaris|Dendrobium chrysotoxum|Turpinia arguta|Dendrobium fimbriatum|Typha angustifolia|Dendrobium loddigesii|Typha orientalis|Dendrobium nobile|Vitex negundo|Dendrobium catenatum|Zingiber officinale|Desmodium styracifolium|Erigeron breviscapus|Euonymus alatus|Citrus unshiu|Euphorbia hirta|Prunus persica|Foeniculum vulgare|Helichrysum arenarium|Glycyrrhiza glabra|Prunus mume|Glycyrrhiza inflata|Citrus grandis|Glycyrrhiza uralensis|Prunus davidiana|Hedysarum polybotrys|Prunus yedoensis|Humulus lupulus|Garcinia multiflora|Lysimachia christinae|Fallopia multiflora|Trigonella foenum-graecum|Persicaria orientalis|Camellia sinensis var. assamica (masters) kitamura|Citrus trifoliata|Anacardium occidentale|Prunus serrulata var. spontanea|Alpinia katsumadai|Rhododendron dauricum|Breea segeta |
Path=OGG1 pathway|Cytochrome P450 3A4 - Homo sapiens | Voltage-gated L-type calcium channel alpha-1C subunit - Rattus norvegicus | Beta-glucocerebrosidase - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Geminin - Homo sapiens | Ferritin light chain - Equus caballus | Luciferin 4-monooxygenase - Photinus pyralis | Arachidonate 12-lipoxygenase - Homo sapiens | Arachidonate 5-lipoxygenase - Homo sapiens | DNA polymerase iota - Homo sapiens | 6-phospho-1-fructokinase - Trypanosoma brucei |Org= Plasmodium falciparum |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|mouse stomach cancer|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|Prostate Adenocarcinoma|Soft Tissue Sarcoma|Mouse sarcoma|Gen=Metabolism |
3D viewer |
Pubchem |
4A87 2BRT 2UXU 1EYQ |
439246 |
480-41-1 |
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O |
FTVWIRXFELQLPI-UHFFFAOYSA-N |
272.25000 |
C15H12O5 |
2.373 |
2 |
3 |
87.00 |
1.0 |
20 |
3 |
Naringenin is a natural predominant flavanone derived from plant food, which is considered to have a bioactive effect on human health as antioxidant, free radical scavenger, anti-inflammatory, carbohydrate metabolism promoter, and immune system modulator. |
NSC 34875, S-Dihydrogenistein, NSC 11855, Salipurol |
| Myricetin |
Inhibitors |
Myrica rubra|Diospyros lotus|Hypericum perforatum| |
Path=CYP1A1 pathway|CYP1B1 pathway|Gen=MEK |
Dis=Acute Myeloid Leukemia|Basophilic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Kidney Cancer|Renal Cell Adenocarcinoma|Melanoma|Amelanotic melanoma|malignant melanoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Prostate Cancer|prostate Carcinoma|Prostate Adenocarcinoma|Gen=MAPK |
3D viewer |
Pubchem |
3HBF 1E90 2IOD 4GQR |
5281672 |
529-44-2 |
C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O |
IKMDFBPHZNJCSN-UHFFFAOYSA-N |
318.24000 |
C15H10O8 |
1.388 |
2 |
6 |
148.00 |
1.0 |
23 |
|
Myricetin, a natural flavonoid with antioxidant and anti tumor properties, is a novel inhibitor of MEK1 activity and transformation of JB6 P+ mouse epidermal cells. It also inhibits PI3K? with Kd of 0.17 ?M. |
Cannabiscetin |
| Tanshinone I |
Inhibitors |
Salvia miltiorrhizae |Salvia digitaloides|Uvaria klaineana|Cladonia bellidiflora|Artemisia siversiana|Salvia przewalskii var. mandarinorum|Ritterella rubra|Camptothecium lutescens|Salvia flava|Bothriocline longipes|Salvia przewalskll|Salvia przewalskii|Salvia miltiorrhiza|Dioscorea communis|Amentotaxus yunnanensis|Salvia karabachensis|Metzgeria pubescens|Amaranthus hybr|Angelica decursiva|Euphorbia retusa|Glycyrrhiza triphylla|Notholaena dealbata|Peucedanum praeruptorum|Euphorbia sancta|Prunella vulgaris|Combretum indicum|Hydrolithon reinboldii|Picradeniopsis pringlei|Asphodeline tenuior|Pleurophycus gardneri|Salvia bowleyana|Iris hoogiana|Phallusia fumigata|Salvia yunnanensis|Agathosma thymifolia|Salvia castanea|Radix salviae|Peucedani radix|Veronicastrum sibiricum|Vicia sativa|Salvia bulleyana|Allochromatium minutissimum|Delphinium cyphoplectrum|Salvia trijuga|Salvia prionitis|Glycine falcata|Aquilaria sinensis|Stauntonia obovatifoliola|Decachaeta ovatifolia|Deguelia hatschbachii|Rhabdia lycioides|Salvia sinica|Streptomyces lateritius|Palmaria palmata|Salvia sclarea|Senecio madagascariensis|Viburnum sieboldi |
Path=BIRC5 pathway|AKT1 pathway|PIK3R1 pathway|BAX pathway|CASP3 pathway|PARP1 pathway|BCL2 pathway|ICAM1 pathway|VEGFA pathway|TP53 pathway|CYCS pathway|N/A|CASP9 pathway|CCNE1 pathway|CD44 pathway|COL4A2 pathway|GNAL pathway|HRAS pathway|ICAM4 pathway|IL19 pathway|IL8 pathway|JUND pathway|MAP2K3 pathway|MMP2 pathway|MYC pathway|NFKB1 pathway|NRAS pathway|PDGFA pathway|RAC1 pathway|RIPK1 pathway|SHB pathway|TNFRSF10B pathway|AURKA pathway|CCNB1 pathway|CDK1 pathway|Gen=Phospholipase (e.g. PLA)|Acetylcholinesterase - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | SARS coronavirus 3C-like proteinase - SARS coronavirus | Monoglyceride lipase - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Geminin - Homo sapiens | Carboxylesterase 2 - Homo sapiens | Nonstructural protein 1 - Influenza A virus | Microtubule-associated protein tau - Homo sapiens | Streptokinase A - Streptococcus pyogenes serotype M1 | Chromobox protein homolog 1 - Homo sapiens | Protein-tyrosine phosphatase 1C - Homo sapiens | DNA polymerase beta - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Bloom syndrome protein - Homo sapiens | Protein-tyrosine phosphatase 2C - Homo sapiens | Acyl coenzyme A:cholesterol acyltransferase - Homo sapiens | Serine/threonine-protein kinase PLK1 - Homo sapiens | DNA polymerase eta - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Protease - Human immunodeficiency virus 1 | P-glycoprotein 1 - Homo sapiens | Glycoprotein hormones alpha chain - Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens | DNA polymerase iota - Homo sapiens | Vitamin D receptor - Homo sapiens | Telomerase reverse transcriptase - Homo sapiens | DNA polymerase kappa - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 - Homo sapiens |Org= Plasmodium falciparum | Saccharomyces cerevisiae | Streptococcus sp. 'group A' | Streptococcus |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|multidrug-resistant CEM/ADR5000 leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Breast Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Lung Epithelial Carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=Metabolism |
3D viewer |
Pubchem |
4M0E |
114917 |
568-73-0 |
CC1=CC=CC2=C1C=CC3=C2C(=O)C(=O)C4=C3OC=C4C |
IOUNDPHKKPZPKB-UHFFFAOYSA-N |
276.29000 |
C18H12O3 |
4.084 |
3 |
0 |
47.30 |
0.0 |
21 |
4 |
Tanshinone I, an active principle isolated from Salvia miltiorrhiza (Danshen), is structurally similar to tanshinone IIA and may possess similar cytotoxic effects on tumor cells. |
N/A |
| Cinchonine(LA40221) |
Inhibitors |
Cinchona spp |
Gen=Others|Glucose transporter - Homo sapiens | Glucose transporter - Leishmania mexicana | Hexose transporter 1 - Plasmodium falciparum | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Geminin - Homo sapiens | Cytochrome P450 2D6 - Homo sapiens | Reverse transcriptase - Human immunodeficiency virus 1 | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus |Org= Plasmodium falciparum | Trypanosoma brucei brucei | Plasmodium falciparum 3D7 | Plasmodium falciparum (isolate K1 / Thailand)|Cholinesterase - Equus caballus | Glucose transporter - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | Leishmania mexicana mexicana |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Chronic Myelogenous Leukemia|Gen=Angiogenesis |
3D viewer |
Pubchem |
|
90454 |
118-10-5 |
C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O |
KMPWYEUPVWOPIM-QAMTZSDWSA-N |
294.40000 |
C19H22N2O |
2.75 |
1 |
1 |
36.40 |
3.0 |
22 |
2 |
Cinchonine is an alkaloid and a stereoisomer and pseudo-enantiomer of cinchonidine. |
N/A |
| Apigenin |
Inhibitors |
Dracocephalum kotschyi|Centaurea arenaria|Ficus formosana|Hypericum perforatum|Marticaria chamomilla| |
Path=CYP1A1 pathway|CYP1B1 pathway|Gen=P450 (e.g. CYP17) |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Fibrosarcoma|Murine Fibrosarcoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Hepatoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Non-Melanoma Skin Cancers|human fetal foreskin fibroblast|Prostate Cancer|prostate Carcinoma|Prostate Adenocarcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Gen=Metabolism |
3D viewer |
Pubchem |
5AUV 5I2H 4HKK 4DER |
5280443 |
520-36-5 |
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
KZNIFHPLKGYRTM-UHFFFAOYSA-N |
270.24000 |
C15H10O5 |
2.41 |
2 |
3 |
87.00 |
1.0 |
20 |
|
Apigenin is a potent P450 inhibitor for CYP2C9 with Ki of 2 ?M. |
NSC 83244, LY 080400 |
| Gallic acid |
Inhibitors |
Terminalia arjuna|Punica granatum|Diospyros lotus|Phyllanthus emblica|Rhynchosia volubilis|Caesalpinia ferrea| |
Path=CASP3 pathway|BCL2 pathway|BAX pathway|Gen=ROS |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Kidney Cancer|kidney cancer|Renal Cell Adenocarcinoma|Melanoma|malignant melanoma|Murine Melanoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Non-small Cell Lung Cancer|large cell carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
4Z5X 4IC0 3WKU 3WPM |
370 |
149-91-7 |
C1=C(C=C(C(=C1O)O)O)C(=O)O |
LNTHITQWFMADLM-UHFFFAOYSA-N |
170.12000 |
C7H6O5 |
0.733 |
1 |
3 |
98.00 |
1.0 |
12 |
|
Gallic acid, known as powerful antioxidants, is an organic acid found in a variety of foods and herbs. |
3,4,5-Trihydroxybenzoic acid, Gallate, Benzoic acid |
| Resveratrol |
Inhibitors |
Vitis vinifera|Polygonum cuspidatum|Veratrum grandiflorum|Eucalyptus wandoo|Sinularia depressa|Daemonorops draco|Semen phaseoli|Picea glehnii|Rumex maritimus|Dryopteris crassirhizoma|Pleuropterus ciliinervis|Veratrum nigrum var. ussuriense|Gnetum latifolium|Hedysarum connatum|Humulus lupulus|Pseudoalteromonas luteoviolacea|Cassia dentata|Trifolium dubium|Sphaerella laricina|Hypericum laricifolium|Morus alba|Testa arachidis hypogaeae|Artemisia assoana|Adansonia grandidieri|Oroxylum indicum|Caragana tibetica|Aconitum seravschanicum|Dumortiera hirsuta|Ampelopsis glandulosa var. brevipedunculata|Rheum wittrocki|Senecio subdentatus|Streptomyces avermitilis|Fallopia multiflora|Arachis hypogaea|Drechslera avenae|Swertia franchetiana|Bassia muricata|Rheum coreanum|Cudrania javanensis|Sabina sargentii|Adiantum lunulatum|Rheum officinale|Nasutitermes ephratae|Bishovia boliviensis|Rheum palmatum|Vitis spp.|Acacia adunca|Chaenomeles sinensis|Rheum tanguticum|Veratrum album|Vatica rassak|Onobrychis arenaria|Caragana aurantiaca|Rubia cordifolia|Annona cornifolia|Eucalyptus melliodora|Smilax china|Broussonetia papyrifera|Vitis spp|Peltostigma guatemalense|Marrubium anisodon|Lavandula vera|Smilax glabra|Rauvolfia vomitoria|Biancaea decapetala|Ampelopsis brevipedunculata|Wikstroemia retusa|Cotyledon secunda|Vigna angularis|Enceliopsis argophylla|Caesalpinia decapetala|Pastinaca sativa|Calostephane divaricata|Vigna umbellata|Anacystis montana|Polygonum multiflorum|Naucleopsis ternstroemiiflora|Salvia syriaca|Vigna umbeuata|Laurencia spectabilis|Dictyopteris australis|Cytophaga hutchinsoni|Asterospicularia laurae|Scutellaria amoena|Eria mollis|Solanum laxum|Artocarpus dadah|Lepisorus ussuriensis|Amathia pinnata|Gnetum parvifolium|Alstonia spathulata|Gadus morhua callarias|Miliusa velutina|Phoebe pittieri|Aphyllocladus denticulatus|Eriocheir sinensis|Epichloe festucae var. lolii|Blastochloris viridis|Astragalus sempervirens|Dendriopoterium menendezii|Physalis alkekengi|Psychotria stachyoides|Olibanun|Premna odorata|Goniothalamus malayanus|Rivularia firma|Boehmeriae rhizoma et radix|Pinus sibirica|Justicia secunda|Aster sedifolius|Leathesia nana|Polygoni cuspidati rhizoma et radix|Ipomoea digitata|Neobalanocarpus heimii|Isaria fumosorosea|Zanthoxylum tetraspermum|Ampelopsis japonica|Aconitum tasiromontanum|Viguiera incana|Dodonaea viscosa|Smilax menispermoidea|Flacourtia jangomas|Dysoxylum cumingianum|Belamcandae rhizome|Radix cudraniae|Teucrium yemense|Helipterum roseum|Mori fructus|Lysimachia mauritiana|Rattus rattus|Iris domestica|Caulocystis cephalornithos|Vaccinium oxycoccos|Bulla striata| |
Gen=Autophagy|NAD(P)H dehydrogenase [quinone] 1 - Mus musculus | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Survival motor neuron protein - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Cytochrome P450 1A2 - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Cytochrome P450 2C19 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Pyruvate kinase - Leishmania mexicana | Lysine-specific demethylase 4D-like - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Prelamin-A/C - Homo sapiens | Cytochrome P450 19A1 - Homo sapiens | Monoamine oxidase B - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Histone acetyltransferase GCN5 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens |Org= Plasmodium falciparum|Carbonic anhydrase II - Homo sapiens | Carbonic anhydrase XIV - Homo sapiens | Carbonic anhydrase I - Homo sapiens | Carbonic anhydrase 15 - Mus musculus | Carbonic anhydrase VA - Homo sapiens | Carbonic anhydrase VB - Homo sapiens | Carbonic anhydrase IV - Homo sapiens | Carbonic anhydrase III - Homo sapiens | Carbonic anhydrase XII - Homo sapiens | Carbonic anhydrase XIII - Homo sapiens | Carbonic anhydrase VI - Homo sapiens | Carbonic anhydrase VII - Homo sapiens | Carbonic anhydrase IX - Homo sapiens| Chromobox protein homolog 1 - Homo sapiens | NAD-dependent deacetylase sirtuin 1 - Homo sapiens | Prenyltransferase homolog - Streptomyces coelicolor A3 | Estrogen receptor beta - Homo sapiens | Beta amyloid A4 protein - Homo sapiens | P-glycoprotein 1 - Homo sapiens | Protein-tyrosine phosphatase 1B - Homo sapiens | Cyclooxygenase-1 - Homo sapiens | Tyrosine-protein kinase LCK - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | 78 kDa glucose-regulated protein - Homo sapiens | Cyclooxygenase-1 - Ovis aries | Tyrosinase - Agaricus bisporus | Cyclooxygenase-2 - Homo sapiens | Transient receptor potential cation channel subfamily A member 1 - Rattus norvegicus | Androgen Receptor - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Regulator of G-protein signaling 4 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | M-phase phosphoprotein 8 - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Zinc finger protein mex-5 - Caenorhabditis elegans | Aryl hydrocarbon receptor - Oryctolagus cuniculus | Monoamine oxidase A - Homo sapiens | Niemann-Pick C1 protein - Homo sapiens | Serine/threonine-protein kinase mTOR - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Ornithine decarboxylase - Homo sapiens | Apoptosis regulator Bcl-X - Homo sapiens | Alpha-1d adrenergic receptor - Rattus norvegicus | Arachidonate 15-lipoxygenase, type II - Homo sapiens | Leukotriene A4 hydrolase - Homo sapiens | N1L - Vaccinia virus | Huntingtin - Homo sapiens | M18 aspartyl aminopeptidase - Plasmodium falciparum 3D7 | Norepinephrine transporter - Homo sapiens | Nitric oxide synthase, inducible - Mus musculus | Nuclear receptor ROR-gamma - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Large T antigen - Simian virus 40 | Carbonic anhydrase II - Homo sapiens | Bcr/Abl fusion protein - Homo sapiens | Tyrosinase - Mus musculus | Ras-related protein Rab-9A - Homo sapiens | NAD-dependent deacetylase sirtuin 2 - Homo sapiens | Cytochrome P450 1A1 - Homo sapiens | Cyclooxygenase-2 - Ovis aries | Sucrase-isomaltase - Rattus norvegicus | Tyrosinase - Homo sapiens | Cholinesterase - Equus caballus | Acidic alpha-glucosidase - Rattus norvegicus | Cerebroside-sulfatase - Homo sapiens | Lysosomal alpha-glucosidase - Homo sapiens | FAD-linked sulfhydryl oxidase ALR - Homo sapiens | Peripheral myelin protein 22 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | Quinone reductase 2 - Homo sapiens | Bloom syndrome protein - Homo sapiens | Cytochrome P450 1B1 - Homo sapiens | Protein kinase C alpha - Homo sapiens | Cathepsin L - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | Canalicular multispecific organic anion transporter 1 - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Carbonic anhydrase IX - Homo sapiens | 6-phospho-1-fructokinase - Trypanosoma brucei |Org= Filobasidiella neoformans | Pseudomonas aeruginosa PAO1 | Streptococcus mutans | Plasmodium falciparum | Candida albicans SC5314 | Helicobacter pylori | Neofusicoccum luteum | Human immunodeficiency virus 1 | Chromobacterium violaceum | Neisseria gonorrhoeae | Candida albicans | Streptococcus sanguinis | Staphylococcus aureus | Tetrahymena thermophila | Saccharomyces cerevisiae | Agrobacterium tumefaciens | Pseudomonas aeruginosa | Leishmania donovani |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Non-Melanoma Skin Cancers|Fibroblast|Non-small Cell Lung Cancer|Lewis Lung carcinoma |Gen=Autophagy |
3D viewer |
Pubchem |
4JAZ 1DVS 4QOH 4QOJ |
445154 |
501-36-0 |
C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O |
LUKBXSAWLPMMSZ-UHFFFAOYSA-N |
228.24000 |
C14H12O3 |
3.09 |
0 |
3 |
60.70 |
2.0 |
17 |
2 |
Resveratrol has a wide spectrum of targets including cyclooxygenases(i.e. COX, IC50=1.1 ?M), lipooxygenases?LOX, IC50=2.7 ?M?, kinases, sirtuins and other proteins. It has anti-cancer, anti-inflammatory, blood-sugar-lowering and other beneficial cardiovascular effects. |
N/A |
| Eupatilin |
anticancer |
Aemisia princeps|Streptomyces althioticus|Aceriphyllum rossii|Lactarius scrobiculatus|Eupatorium semiserratum|Salvia officinalis|Vitex madiensis|Chrysanthemum indicum|Bassia butyracea|Citrus reticulata|Anaxagorea clavata|Helianthus mollis|Glaucium vitellinum|Artemisia rubripes|Taxodium mucronatum|Arnica nevadensis|Citrus reticulate|Rhizobium phaseoli|Quercus aegilops|Senecio squalidus|Aria pallescens|Pteris prolifera|Chloranthus tianmushanensis|Ficus formosana|Folium artemisiae argyi|Bellis perennis|Kaempferia pulchra|Chrysanthemi flos|Pandanus amaryllifolius|Bursaria spinosa|Schizonepetae spica|Chromolaena odorata|Pyrosoma giganteum|Artemisia argyi|Odixia angusta|Cladonia evansii|Thymus godayanus|Teucrium lancifolium|Stenostomum lucidum|Artemisia montana|Coccus fagi|Pseudopterogorgia kallos|Artemisia princeps|Wallemia sebi|Stachys glutinosa|Pterocarpus grandiflorus|Prosopis glandulosa|Chrysanthemum x morifolium|Werneria nubigena|Drosera peltata|Artemisia monogyna|Dioscorea japonica|Ilex affinis|Hypericum henryi|Securidaca inappendiculata|Dipterocarpus alatus|Chromolaena pulchella|Fusarium gibbosum|Beyeria brevifolia|Echinops amplexicaulis|Artemisia anomala|Gardenia fosbergii|Othonna coronopifolia|Alligator mississippiensis|Isodon kameba|Sium lineare|Dendrosenecio kilimanjari|Araujia sericifera|Seriphidium cinum|Taxus chienii|Clonostachys rosea|Epaltes gariepina|Pheidole pallidula|Eupatorium japonicum|Agnorhiza bolanderi|Salvia mellifera|Simira eliezeriana|Actinopyga lecanora|Polysiphonia urceolata|Prunus laurocerasus|Sesbania punicea |
Path=CASP3 pathway|CASP7 pathway|CASP9 pathway|CYCS pathway|CCND1 pathway|CDKN1A pathway|JUN pathway|JUND pathway|MAPK14 pathway|TFF1 pathway|Gen=Others|Cannabinoid CB1 receptor - Homo sapiens | Cannabinoid CB2 receptor - Homo sapiens | Delta opioid receptor - Mus musculus | Delta opioid receptor - Homo sapiens | Mu opioid receptor - Homo sapiens | Mu opioid receptor - Mus musculus | Kappa opioid receptor - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|mammary gland fibrocystic disease |Gastrointestinal Cancer|Gastric carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
5273755 |
22368-21-4 |
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O)OC)O)OC |
DRRWBCNQOKKKOL-UHFFFAOYSA-N |
344.32000 |
C18H16O7 |
2.603 |
5 |
2 |
94.40 |
4.0 |
25 |
3 |
Eupatilin, a major flavonoid from Artemisia plants, possesses various beneficial biological effects including anti-inflammation, anti-tumor, anti-cancer, anti-allergy, and anti-oxidation activity. |
NSC 122413 |
| Betulinic acid |
Inhibitors |
Betula platyphylla|Dillenia indica|Prunus dulcis|Ulmus davidiana|Zizyphus cambodiana|Narcissus tazetta|Narcissus cantabricus|Anomala cuprea|Bidens frondosa|Solanum tuberosum|Ascochyta cypericola|Zanthoxylum zanthoxyloides|Halorosellinia oceanica|Helichrysum candolleanum|Daedalea dickinsii|Primnoa resedaeformis|Schefflera heptaphylla|Carya alba|Primula veris|Ilex latifolia|Quararibea funebris|Diphylleia grayi|Conringia orientalis|Hedysarum alpinum|Sparganii rhizoma|Halictus sexcinctus|Lycopi herba|Myristica dactyloides|Mentha javanica|Coussarea paniculata|Maytenus cuzcoina|Maytenus chiapensis|junellia tridens|Microtropis fokienensis|perrottetia arisanensis|Parmelia taylori|Orontium japonicum|Balanocarpus zeylanicus|Clematis rehderiana|Diospyros dendo |
Path=BCL2 pathway|CCND1 pathway|BAX pathway|GLI1 pathway|Gen=Topoisomerase|Org=Mycobacterium tuberculosis |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioma|Medulloblastoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Multiple Myeloma|Plasmacytoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Thyroid Cancer|Follicular carcinoma|Gen=DNA Damage |
3D viewer |
Pubchem |
5LSG |
64971 |
472-15-1 |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O |
QGJZLNKBHJESQX-UHFFFAOYSA-N |
456.70000 |
C30H48O3 |
6.546 |
1 |
1 |
57.50 |
2.0 |
33 |
5 |
Betulinic acid, a pentacyclic triterpenoid from Syzigium claviflorum, is a inhibitor of HIV-1 with EC50 of 1.4 &mu M. Phase 1/2. |
ALS-357 |
| Eleutheroside B |
Inhibitors |
Kalopanax pictus |
Gen=Immunology & Inflammation related |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
|
5316860 |
118-34-3 |
COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CCO |
QJVXKWHHAMZTBY-UHFFFAOYSA-N |
372.37000 |
C17H24O9 |
-0.512 |
4 |
5 |
138.00 |
7.0 |
26 |
|
Eleutheroside B (syringin) is a phenylpropanoid glycoside first isolated from A. senticosus and has neuroprotective, tonic, adaptogenic, and immune-modulating properties. |
syringin, Syringoside, Lilacin |
| Cordycepin |
Inhibitors |
Cordyceps sinensis|Cordyceps militaris|cordyceps militaris bcc 2816|Ophiocordyceps sinensis |
Path=MMP9 pathway|JUND pathway|NFKB1 pathway|TNF pathway|AKT1 pathway|MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|NFKBIA pathway|Gen=Others|Mitochondrial import inner membrane translocase subunit TIM23 - Saccharomyces cerevisiae S288c | ATP-dependent molecular chaperone HSP82 - Candida albicans (strain WO-1) (Yeast) | Adenosine A1 receptor - Rattus norvegicus | Hepatitis C virus NS5B RNA-dependent RNA polymerase - Hepatitis C virus |Org= Human immunodeficiency virus 1 | Trypanosoma brucei | Trypanosoma brucei brucei | Vaccinia virus | Trypanosoma cruzi | Plasmodium falciparum (isolate K1 / Thailand) | Human herpesvirus 1 | Leishmania donovani | Hepatitis C virus | Trichomonas vaginalis |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Bladder Cancer|Bladder carcinoma|Transitional Cell Carcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Murine BV2 microglia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Melanoma|Murine Melanoma|Gen=Others |
3D viewer |
Pubchem |
5M5K 6F3P 3B4C 3B4B |
6303 |
73-03-0 |
C1C(OC(C1O)N2C=NC3=C2N=CN=C3N)CO |
QLEOCAHPCDUGFN-UHFFFAOYSA-N |
251.24000 |
C10H13N5O3 |
-1.308 |
4 |
3 |
119.00 |
2.0 |
18 |
3 |
Cordycepin is an adenosine analogue, which is readily phosphorylated to its mono-, di-, and triphosphate intracellularly. It has a very potent anti-cancer, anti-oxidant and anti-inflammatory activities. |
N/A |
| Scopoletin |
Inhibitors |
Artemisia argyi|Gelsemium sempervirens| |
Path=BIRC5 pathway|CCND1 pathway|PCNA pathway|STAT3 pathway|CASP3 pathway|TP53 pathway|Gen=Immunology & Inflammation related |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Melanoma|malignant melanoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
|
5280460 |
92-61-5 |
COC1=C(C=C2C(=C1)C=CC(=O)O2)O |
RXXROUJXJUCLTH-UHFFFAOYSA-N |
192.17000 |
C10H8O4 |
1.641 |
3 |
1 |
55.80 |
1.0 |
14 |
|
Scopoletin is the main bioactive constituent of flower buds from Magnolia fargesii with anti-inflammatory, hypouricemic, and antioxidant activities. |
Esculetin 6-methyl ether, Gelseminic acid, 6-Methylesculetin, Chrysatropic acid |
| Flavone |
Inhibitors |
Lonchocarpus spp|Trifolium alexandrinum|Commelina communis|Ceratophyllum submersum|Carpobrotus edulis|Swertia hickinii|Plutella xylostella|Tilletia laevis|Daedaleopsis confragosa|Phoenix dactylifera|Epicoccum nigrum|Mahoniae caulis|Oroxylum indicum|Dracocephalum kotschyi|Ginkgo semen|Herba desmodii styracifolii|Lippia carviodora|Mahoniae eadix|Ilex rotunda|Radix tetrastigmatis hemsleyani|Aplysina cauliformis|Mahoniae folum|Rhizoma paridis|Amycolatopsis azurea|Hippophae fructus|Folium aconiti szechenyiani|Parmelia metastrigosa|Gleditsiae spina|Desmodium styracifolium|Oecophylla smaragdina|Streptomyces venezuelae|Primula pulverulenta|Lespedeza homoloba|Pericarpium citri reticulatae viride|Primula farinosa|Hemerocallis minor|Chamaemelum nobile|Psilostrophe cooperi|Schkuhria multiflora|Folium aconiti|Brucea javanica|Anthocleista grandiflora|Orgyia australis postica|Lolium perenne|Sideritis tragoriganum|Pneumatospora obcoronata|Cephalonomia gallicola|Centrolobium tomentosum|Myrica nana|Asplenium normale|Chrysanthemum morifolium|Yponomeuta malinellus|Helleborus caucasicus|Solanum jamaicense|Castanea crenata|Chelidonura fulvipunctata|Hypoestes serpens |
Gen=Others|Calmodulin - Homo sapiens | DNA-dependent protein kinase - Homo sapiens | Geminin - Homo sapiens | Androgen Receptor - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Poly [ADP-ribose] polymerase-1 - Homo sapiens | Tankyrase-2 - Homo sapiens | Survival motor neuron protein - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Nuclear receptor ROR-gamma - Homo sapiens | Xanthine dehydrogenase - Bos taurus | Nuclear receptor subfamily 1 group I member 2 - Rattus norvegicus | 11-beta-hydroxysteroid dehydrogenase 1 - Homo sapiens | Adenosine A3 receptor - Homo sapiens | ATP-binding cassette sub-family G member 2 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Carbonic anhydrase I - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Glucagon-like peptide 1 receptor - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Retinoid X receptor alpha - Homo sapiens | Nuclear factor NF-kappa-B p105 subunit - Homo sapiens | Ras-related protein Rab-9A - Homo sapiens | Tankyrase-1 - Homo sapiens | Adenosine A1 receptor - Rattus norvegicus | P-glycoprotein 1 - Homo sapiens | Glucocorticoid receptor - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Monoamine oxidase A - Homo sapiens | Carbonic anhydrase IX - Homo sapiens | Aryl hydrocarbon receptor - Homo sapiens | Aminopeptidase N - Homo sapiens | Epidermal growth factor receptor erbB1 - Homo sapiens | Triosephosphate isomerase, glycosomal - Trypanosoma cruzi | Niemann-Pick C1 protein - Homo sapiens | Heat shock protein beta-1 - Homo sapiens | Estradiol 17-beta-dehydrogenase 2 - Homo sapiens | Carbonic anhydrase XII - Homo sapiens | Interleukin-8 - Homo sapiens | Androgen Receptor - Rattus norvegicus | Cytochrome P450 19A1 - Homo sapiens | Carbonic anhydrase II - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Cyclooxygenase-2 - Mus musculus | Estradiol 17-beta-dehydrogenase 1 - Homo sapiens |Org= Rattus norvegicus | Trypanosoma cruzi | Spodoptera litura | Dermatophagoides pteronyssinus | Filobasidiella neoformans | Plasmodium falciparum | Candida parapsilosis | Human immunodeficiency virus 1 | Aspergillus niger |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Prostate Cancer|Prostate Adenocarcinoma|Gen=Others |
3D viewer |
Pubchem |
4HKI 2G0L |
10680 |
525-82-6 |
C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2 |
VHBFFQKBGNRLFZ-UHFFFAOYSA-N |
222.24000 |
C15H10O2 |
3.136 |
2 |
0 |
26.30 |
1.0 |
17 |
3 |
Flavone, a class of flavonoids, mainly found in spices and red or purple plant foods with antioxidant, anti-proliferative, anti-tumor, anti-microbial, estrogenic, acetyl cholinesterase, anti-inflammatory activities and are also used in cancer, cardiovascular disease, neurodegenerative disorders etc. |
2-Phenylchromone, 2-Phenyl-4-chromone, 2-Phenyl-4-benzopyron |
| Genistein |
Inhibitors |
Pueraria thunbergiana|Pueraria radix|Pueraria mirifica|Dalbergia parviflora|Pueraria thomsonii|Cudrania tricuspidata|Pauridiantha callicarpoides|Coniochaeta saccardoi|Atroxima liberica|Lespedeza floribunda|Glycine max|Arum maximum|Streptomyces griseochromogenes|Tolypocladium album|Trogoderma granarium|aged korean fermented soybean paste|Glycyrrhiza glabra|Bergenia crassifolia|Euphrasia stricta|Astragalus spinosus|Streptomyces mirabilis|Glycyrrhiza inflata|Dalbergia obtusa|Rheum qinlingense|Palafoxia texana|Glycyrrhiza uralensis|Delphinium barbeyi|Papaver tatricum|Amaranthus spinosus|Dunalia solanacea|Lawsonia inermis|Dalbergia sissoo|Murraya exotica|Ips cembrae|Lippia integrifolia|Abies amabilis|Scolopia chinensis|Derris scandens|Murraya paniculata|Chelonaplysilla violacea|Piper dilatatum|Crotalaria orixensis|Heliotropium hirsutissimum|Calicotome villosa|Macadamia ternifolia|Peltogyne pubescens|Christisonia bicolor|[clostridium] cellulolyticum|Pueraria lobata|Prunus serrulata var. spontanea|Cullen corylifolium|Erysimum siliculosum|Pseudoceratina arabica|Citrus rugulosa|Albizia subdimidiata|Hyoscyamus pusillus|Andira inermis|Pueraria montana var. lobata|Astragalus bicuspis|Pterocarpus indicus|Allagopappus viscosissimus|Cistanche salsa|Nicotiana raimondii|Sanguisorba officinalis|Pueraria montana var. thomsonii|Zanthoxylum decaryi|Pleurotus japonicus|Lunularia cruciata|Flemingia macrophylla|Candida albicans|Teucrium betonicum|Sophora flavescens|Ranunculus peltatus|Justicia adhatoda|Homo sapiens|Setosphaeria holmii|Spatholobus suberectus|Desmodium styracifolium|Sophora japonica|Neomeris annulata|Conyza japonica|Coniophora puteana|Cistanches herba|Sisymbrium officinale|Sophora tonkinensis|Trollius europaeus|Lepidosperma ustulatum|Fomes fastuosus|Sojae semen praeparatum|Puerariae flos|Jamesoniella colorata|Streptomyces filamentosus|Trifolium pratense|Lecanora kukunorensis|Semiaquilegiae radix|Tenebrio obscurus|Vitex negundo|Cymodocea nodosa|Lupinus luteus|Aglaia australiensis|Hibiscus schizopetalus|Fructussophorae|Octopus vulgaris|Fumaria micrantha|Teucrium marum|Jacmaia incana|Piptanthus nepalensis|Davidsoniella virescens|Iridis tectori rhizoma|Pachychalina alcaloidifera|Dinophysis fortii|Stachys chrysantha|Atuna racemosa|Cordyceps sinensis|Maximowiczia sonorae|Radix puerariae|Camchaya loloana|Diplacus longiflorus|Styrax agrestis|Platytaenia lasiocarpa|Vepris nobilis|Belamcandae rhizome|Smilax bracteata|Chrysanthemum uliginosum|Eriocephalus punctulatus|Astragalus pycnanthus|Aspergillus albus|Kaempferia rotunda|Sojae semen nigrum|Chionodoxa gigantea|Pulsatilla campanella|Hydrangea serrata|Chamomilla recutita|Dendrobium candidum|Bonamia spectabilis|Sophorae tonkinensis radix et rhizome|Berlinia tomentosa|Garcinia oblongifolia|Amietophrynus regularis|Ophiopogon planiscapus|Eucommiae cortex|Tynanthus panurensis|Amorphinopsis foetida|Linum crispum|Melaleuca viminea|Pterodon emarginatus|Flos genkwa|Syzygium nervosum|Macrocentrus cingulum|Penstemon teucrioides|Xenia blumi|Ipomoea muricata|Streptomyces|Swertia decussata|Berberis floribunda|Rabdosia angustifolia|Tabebuia chrysantha|Trifolium resupinatum|Streptomyces roseolus nrrl b-5424|Inulanthera calva|Usnea canariensis|Panzeria canescens|Iyengaria stellata|Hapalosiphon delicatulus|Crassostrea virginica|Streptomyces globisporus 1912|Convallaria majalis|Crotalus atrox|Bertya dimerostigma|Pseudocinchona pachyceras|Streptomyces ans-127|Scutellaria sieberi|Munchausia speciosa|Rosulabryum capillare|Erycibe expansa|Petroselinum crispum|Piper wightii|Astragalus wiedemannianus|Tephrosia watsoniana|Ophiorrhiza kunstleri|phoma glomerata|Dalbergia odorifera|Licaria brasiliensis|Strongylodesma algoaensis|Salvia miltiorrhiza|Parameria laevigata|Pisolithus tinctorius|soybeans|Achillea pseudopectinata|Asterias rathbuni|Baccharoides anthelmintica|Pinus koraiensis|Dalbergia frutescens|Ginkgo biloba|Ascochyta viciae |
Path=BCL2 pathway|CASP3 pathway|ER alpha pathway|PPARA pathway|PTK activity|Gen=EGFR,Topoisomerase|Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Epidermal growth factor receptor erbB1 - Homo sapiens | UDP-glucuronosyltransferase 1-9 - Homo sapiens | Estrogen receptor beta - Homo sapiens | Cholinesterase - Equus caballus | Protein kinase C alpha - Homo sapiens | Xanthine dehydrogenase - Homo sapiens | Canalicular multispecific organic anion transporter 1 - Homo sapiens | Maltase-glucoamylase - Homo sapiens | Serotonin 2a (5-HT2a) receptor - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Human immunodeficiency virus type 1 integrase - Human immunodeficiency virus 1 | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Microtubule-associated protein tau - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Adenosine A1 receptor - Homo sapiens | Androgen Receptor - Homo sapiens | Sialidase - Clostridium perfringens | Cytochrome P450 19A1 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Pyruvate kinase - Leishmania mexicana | ATPase family AAA domain-containing protein 5 - Homo sapiens | Neuraminidase - Influenza A virus | Dopamine transporter - Homo sapiens | Serotonin 2c (5-HT2c) receptor - Homo sapiens | Estradiol 17-beta-dehydrogenase 2 - Homo sapiens | Multidrug resistance-associated protein 1 - Homo sapiens | Thrombopoietin - Homo sapiens | Prelamin-A/C - Homo sapiens | DNA topoisomerase II alpha - Homo sapiens | Peripheral myelin protein 22 - Homo sapiens | Estradiol 17-beta-dehydrogenase 1 - Homo sapiens | Adenosine A2a receptor - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Cytochrome P450 2C19 - Homo sapiens | Neuraminidase - Influenza A virus (A/Puerto Rico/8/1934(H1N1)) | Aldose reductase - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Quinone oxidoreductase - Mus musculus | LXR-beta - Homo sapiens | Survival motor neuron protein - Homo sapiens | Salivary alpha-amylase - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Cellular tumor antigen p53 - Homo sapiens | Monoamine oxidase A - Homo sapiens | Ornithine decarboxylase - Homo sapiens | P-glycoprotein 1 - Homo sapiens | Peroxisome proliferator-activated receptor gamma - Homo sapiens | Tyrosine-protein kinase YES - Homo sapiens | LXR-alpha - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Aldehyde oxidase - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Geminin - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Adenosine A2a receptor - Rattus norvegicus | Sialidase 2 - Homo sapiens | Tyrosine-protein kinase SYK - Homo sapiens | Ras-related protein Rab-9A - Homo sapiens | Testis-specific androgen-binding protein - Homo sapiens | Cystic fibrosis transmembrane conductance regulator - Rattus norvegicus | Cruzipain - Trypanosoma cruzi | Niemann-Pick C1 protein - Homo sapiens | Aldose reductase - Rattus norvegicus | 78 kDa glucose-regulated protein - Homo sapiens | Adenosine A1 receptor - Rattus norvegicus | Tyrosinase - Mus musculus | Cytochrome P450 1A2 - Homo sapiens | Hypoxia-inducible factor 1 alpha - Homo sapiens | Flap endonuclease 1 - Homo sapiens | M-phase phosphoprotein 8 - Homo sapiens | Sphingomyelin phosphodiesterase - Homo sapiens | Voltage-gated L-type calcium channel alpha-1C subunit - Rattus norvegicus | Tyrosine-protein kinase FYN - Homo sapiens | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Tyrosine-protein kinase BMX - Homo sapiens | ATP-binding cassette sub-family G member 2 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Fatty acid synthase - Plasmodium falciparum | Serine/threonine-protein kinase AKT - Homo sapiens | Serine/threonine-protein kinase PIM1 - Homo sapiens | Tyrosine-protein kinase SRC - Homo sapiens | Thromboxane-A synthase - Homo sapiens | Cyclooxygenase-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Androgen Receptor - Rattus norvegicus | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | DNA polymerase beta - Homo sapiens | Arachidonate 15-lipoxygenase - Oryctolagus cuniculus | Protein kinase Pfmrk - Plasmodium falciparum | Death-associated protein kinase 1 - Homo sapiens |Org= Rattus norvegicus | Callosobruchus chinensis | Tribolium castaneum | Rhyzopertha dominica | Sitophilus oryzae | Achaea janata | Plasmodium falciparum | Human immunodeficiency virus 1 | Hepatitis C virus | Cavia porcellus | Saccharomyces cerevisiae | Escherichia coli | Trypanosoma brucei brucei | Giardia intestinalis | Plasmodium berghei | Leishmania donovani |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Breast Carcinoma|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Gen=Protein Tyrosine Kinase |
3D viewer |
Pubchem |
3KGU 3KGT 1QKM 1X7J |
5280961 |
446-72-0 |
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O |
|
270.24000 |
C15H10O5 |
2.14 |
2 |
3 |
87.00 |
1.0 |
20 |
3 |
Genistein, a phytoestrogen found in soy products, is a highly specific inhibitor of protein tyrosine kinase (PTK) which blocks the mitogenic effect mediated by EGF on NIH-3T3 cells with IC50 of 12?M or by insulin with IC50 of 19 ?M. |
N/A |
| (-)-Epigallocatechin Gallate |
Inhibitors |
Diospyros kaki|Myrica rubra|Camellia sinensis|Prunus persica|Punica granatum|Ampelopsis japonica|Rhodiola rosea|Eriobotrya japonica|Morus alba|Ardisia japonica|Portulaca oleracea|Paeonia lactiflora| |
Path=ODC1 pathway|ABCG2 pathway|BCL2 pathway|BAX pathway|CASP3 pathway|PARP1 pathway|AR pathway|PSA pathway|N/A|CDK4 pathway|PCNA pathway|Gen=DNA Methyltransferase,HER2,Telomerase,EGFR,Fatty Acid Synthase|15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Arachidonate 15-lipoxygenase - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Histone acetyltransferase GCN5 - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Vitamin D receptor - Homo sapiens | DNA polymerase kappa - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | HERG - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Galactokinase - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis|Beta-secretase 1 - Homo sapiens|Beta-secretase 1 - Homo sapiens | Fucosyltransferase 4 - Homo sapiens | CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase - Homo sapiens | Alpha-(1,3)-fucosyltransferase 7 - Homo sapiens|Hepatocyte growth factor receptor - Homo sapiens | 3-oxoacyl-acyl-carrier protein reductase - Plasmodium falciparum | 6-phosphogluconate dehydrogenase - Homo sapiens | Glucose-6-phosphate 1-dehydrogenase - Saccharomyces cerevisiae S288c | Apoptosis regulator Bcl-2 - Homo sapiens | Heat shock protein HSP 90-beta - Homo sapiens | Enoyl-acyl-carrier protein reductase - Plasmodium falciparum | Fatty acid synthase - Plasmodium falciparum |Org= Rattus norvegicus | Human herpesvirus 1 | Plasmodium falciparum | Human immunodeficiency virus 1 |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Basophilic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|Uterine Neoplasms|leiomyoma|Gen=DNA Damage |
3D viewer |
Pubchem |
4E1A 4KQR 4KQK 4KQO |
65064 |
989-51-5 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
|
458.37000 |
C22H18O11 |
3.097 |
3 |
8 |
197.00 |
4.0 |
33 |
4 |
(-)-Epigallocatechin Gallate(EGCG) is the main catechin extraction of green tea that inhibits telomerase and DNA methyltransferase. EGCG blocks the activation of EGF receptors and HER-2 receptors. ECGG inhibits fatty acid synthase and glutamate dehydrogenase activity. |
EGCG |
| Cryptotanshinone |
Inhibitors |
Salvia miltiorrhizae |Amentotaxus yunnanensis|Picradeniopsis pringlei|Asphodeline tenuior|Rhabdia lycioides|Dioscorea communis|Notholaena dealbata|Vicia sativa|Metzgeria pubescens|Amaranthus hybr|Delphinium cyphoplectrum|Ritterella rubra|Euphorbia sancta|Decachaeta ovatifolia|Bothriocline longipes|Glycyrrhiza triphylla|Agathosma thymifolia|Camptothecium lutescens|Uvaria klaineana|Deguelia hatschbachii|Hydrolithon reinboldii|Pleurophycus gardneri|Iris hoogiana|Artemisia siversiana|Allochromatium minutissimum|Euphorbia retusa|Streptomyces lateritius|Phallusia fumigata|Senecio madagascariensis|Viburnum sieboldi|Stauntonia obovatifoliola|Palmaria palmata|Cladonia bellidiflora|Glycine falcata|Radix salviae|Salvia miltiorrhiza|Nardostachyos radix et rhizoma|Perovskia abrotanoides|Salvia trijuga| |
Path=CASP3 pathway|CASP8 pathway|CASP9 pathway|PARP1 pathway|BAX pathway|N/A|CDKN1A pathway|CCNA1 pathway|CCNB1 pathway|CDC25C pathway|CDK1 pathway|CHEK1 pathway|CHEK2 pathway|LDHA pathway|TP53 pathway|MMP2 pathway|JUND pathway|NFKB1 pathway|AURKA pathway|BCL2 pathway|BID pathway|MAPK14 pathway|MAPK8 pathway|MTOR pathway|RPS6K pathway|XIAP pathway|MAPK1 pathway|AKT1 pathway|CCND1 pathway|RB1 pathway|CCNE1 pathway|CDK2 pathway|CDK4 pathway|Gen=STAT|Acetylcholinesterase - Homo sapiens | SARS coronavirus 3C-like proteinase - SARS coronavirus | Vitamin D receptor - Homo sapiens | Cholinesterase - Equus caballus | Microtubule-associated protein tau - Homo sapiens | Carboxylesterase 2 - Homo sapiens | Streptokinase A - Streptococcus pyogenes serotype M1 | ATPase family AAA domain-containing protein 5 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Geminin - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | DNA polymerase beta - Homo sapiens | Protein-tyrosine phosphatase 2C - Homo sapiens | DNA polymerase kappa - Homo sapiens | Signal transducer and activator of transcription 3 - Homo sapiens | Neuropeptide S receptor - Homo sapiens | Serine/threonine-protein kinase PLK1 - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Histone-lysine N-methyltransferase MLL - Homo sapiens | Protein-tyrosine phosphatase 1B - Homo sapiens | DNA polymerase eta - Homo sapiens | Receptor-type tyrosine-protein phosphatase F (LAR) - Homo sapiens | Protein-tyrosine phosphatase 1C - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | ATP-dependent DNA helicase Q1 - Homo sapiens | Leukocyte common antigen - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | Muscleblind-like protein 1 - Homo sapiens | Aldose reductase - Rattus norvegicus | P-glycoprotein 1 - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Acyl coenzyme A:cholesterol acyltransferase - Homo sapiens | T-cell protein-tyrosine phosphatase - Homo sapiens | Regulator of G-protein signaling 4 - Homo sapiens | Tyrosine-protein phosphatase non-receptor type 9 - Homo sapiens | Protease - Human immunodeficiency virus 1 | Telomerase reverse transcriptase - Homo sapiens | Papain - Carica papaya | Dengue virus type 2 NS3 protein - Dengue virus type 2 (strain Thailand/16681/1984) (DENV-2) |Org= Plasmodium falciparum | Streptococcus | Leishmania major | Streptococcus sp. 'group A'|Aldehyde dehydrogenase 1A1 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Cruzipain - Trypanosoma cruzi | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens |
Dis=Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Melanoma|Murine Melanoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Lung Epithelial Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Retinoblastoma|Gen=JAK/STAT |
3D viewer |
Pubchem |
|
160254 |
35825-57-1 |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
|
296.36000 |
C19H20O3 |
3.761 |
3 |
0 |
43.40 |
0.0 |
22 |
4 |
Cryptotanshinone is a STAT3 inhibitor with IC50 of 4.6 ?M in a cell-free assay, strongly inhibits phosphorylation of STAT3 Tyr705, with a small effect on STAT3 Ser727, but none against STAT1 nor STAT5. |
N/A |
| Dihydroartemisinin (DHA) |
Inhibitors |
Artemisia annua|Artemisia apiacea |
Path=MAPK14 pathway|CASP3 pathway|P-glycoprotein 1 - Homo sapiens |Org= Plasmodium falciparum 3D7 | Plasmodium falciparum|Peripheral myelin protein 22 - Rattus norvegicus | Cytochrome P450 3A4 - Homo sapiens | Huntingtin - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Geminin - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | 78 kDa glucose-regulated protein - Homo sapiens | Survival motor neuron protein - Homo sapiens |Org= Plasmodium falciparum |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Non-small Cell Lung Cancer|Gen=Others |
3D viewer |
Pubchem |
|
3000518 |
71939-50-9 |
CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)O)C |
|
284.35000 |
C15H24O5 |
1.621 |
4 |
0 |
57.20 |
0.0 |
20 |
3 |
Dihydroartemisinin (DHA) is a semi-synthetic derivative of artemisinin and isolated from the traditional Chinese herb Artemisia annua. |
N/A |
| Luteolin |
Inhibitors |
Plantago major|Dracocephalum kotschyi|Rosmarinus officinalis|Tithonia diversifolia|Vitex rotundifolia|Olea europaea|Eupatorium odoratum|Plantago lagopus|Terminalia arjuna|Vitex trifolia|Perilla leaf|Chrysanthemum morifolium|Carex folliculata|Lonicera japonica|Cyperus alopecuroides|Punica granatum| |
Path=BCL2L1 pathway|BIRC5 pathway|CDK1 pathway|CDK2 pathway|CDK4 pathway|CDKN1A pathway|CDKN1B pathway|MCL1 pathway|CASP3 pathway|CASP8 pathway|CASP9 pathway|MAPK14 pathway|MAPK8 pathway|AIFM1 pathway|APEX2 pathway|NUDT1 pathway|OGG1 pathway|Gen=PDE |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Bladder Cancer|Transitional Cell Carcinoma|Breast Cancer|Breast Carcinoma|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Fibrosarcoma|Murine Fibrosarcoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Hepatoma|Kidney Cancer|kidney cancer|Renal Cell Adenocarcinoma|Melanoma|malignant melanoma|mouse tumor model|DMBA/TPA induced skin carcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|large cell carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Prostate Cancer|Prostate Adenocarcinoma|Small Cell Lung Cancer|Small Cell Lung Carcinoma|Soft Tissue Sarcoma|Mouse sarcoma|Gen=Metabolism |
3D viewer |
Pubchem |
5AUU 4HKN 4QXV 3SZ1 |
5280445 |
491-70-3 |
C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O |
|
286.24000 |
C15H10O6 |
2.168 |
2 |
4 |
107.00 |
1.0 |
21 |
|
Luteolin is a flavonoid found in Terminalia chebula, which is a non-selective phisphodiesterase PDE inhibitor for PDE1-5 with Ki of 15.0 &muM, 6.4 &muM, 13.9 &muM, 11.1 &muM and 9.5 &muM, respectively. Phase 2. |
N/A |
| (+)-Matrine |
Inhibitors |
Sophora flavescens|Planchonia grandis|Plathymenia reticulata|Syzygium polycephaloides|Pteridium esculentum|Abelia chinensis|Siphonaria capensis|Lycogala epidendrum|Sophorae tonkinensis radix et rhizome|Lemaireocereus longispinus|Embelia schimperi|Cordia leucocephala|Sophorae flavescentis radix|Latrunculia magnifica|Eria anomala|Sophora tonkinensis|Asimina parviflora|Erythrina melanacantha|Hypericum styphelioides|Myxococcus stipitatus|Theonella conica|Morella rubra|Faramea salicifolia|Chondrodendron tomentosum|Conus mus|Vellozia nanuzae|Monsonia senegalensis|Piper regnellii|Pancratium sickenbergeri|Onopordum acanthium|Rhinella marina|Helichrysum tenuifolium|Clerodendrum bungei|Embelia parviflora|Esenbeckia leiocarpa|Shigella dysenteriae|Simarouba glauca|Diospyros assimilis|Baccharis neglecta|Gymnocalycium schickendantzii|Centaurea maculosa|Lythrum salicaria|Tricholoma columbetta|Vernonia fagifolia|Dendronephthya griffini|Aplophyllum alberti-regelii|Haplophyllum obtusifolium|Euphorbia nematocypha|Dolabella californica|Erysimum leptophyllum|Epilobium hirsutum|Ephedra sinica|Sophora alopecuroides| |
Path=EIF4E pathway|N/A|MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|CASP3 pathway|FAS pathway|FASLG pathway|Gen=Opioid Receptor|Org=Hepatitis B virus|Histone acetyltransferase GCN5 - Homo sapiens |Org= Plasmodium falciparum|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus |Org= Hepatitis B virus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioma|Chronic Myelogenous Leukemia|Esophageal and Esophagogastric Junction Cancers|Esophageal squamous cell carcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Gen=Neuronal Signaling |
3D viewer |
Pubchem |
|
91466 |
519-02-8 |
C1CC2C3CCCN4C3C(CCC4)CN2C(=O)C1 |
|
248.36000 |
C15H24N2O |
1.417 |
1 |
0 |
23.60 |
0.0 |
18 |
4 |
Matrine((+)-Matrine) is an alkaloid found in plants from the Sophora family, which has a variety of pharmacological effects, including anti-cancer effects, and action as a kappa opioid receptor agonist. |
N/A |
| Oridonin |
Inhibitors |
Isodon rubescens|Rabdosia rubescens|Isodon rubescens var. lushiensis|Rubia cordifolia| |
Path=BCL2 pathway|CCNB1 pathway|CDK1 pathway|DFFA pathway|EGFR pathway|PARP1 pathway|SIRT1 pathway|AIFM1 pathway|BAX pathway|CASP3 pathway|CASP8 pathway|CYCS pathway|FADD pathway|JUND pathway|MAPK14 pathway|NFKB1 pathway|FAS pathway|SREBF1 pathway|Gen=Others|Cholinesterase - Equus caballus | Acetylcholinesterase - Electrophorus electricus |Org= Mycobacterium phlei | Mycobacterium smegmatis |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Gen=Others |
3D viewer |
Pubchem |
|
5321010 |
28957-04-2 |
CC1(CCC(C23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)O)C |
|
364.43000 |
C20H28O6 |
0.2 |
2 |
3 |
107.00 |
0.0 |
26 |
3 |
Oridonin, a diterpenoid purified from Rabdosia rubescens, is an antitumor agent. |
Isodonol, Rubescenin |
| (-)-Parthenolide |
Inhibitors |
Tanacetum parthenium|Tsuga sieboldii|Lactarius blennius|Sinularia erecta|Silene dioica|Mollugo pentaphylla|Paederia foetida|Dolichos kilimandscharicus|Tuta absoluta|Artemisia phaeolepis|Laurencia dendroidea|Naucleopsis mello-barretoi|Laserpitium siler|Ambrosia psilostachya| |
Path=MLL pathway|MAPK14 pathway|Gen=HDAC,NF-?B,Mdm2,p53|Gen=HDAC,NF-?B,Mdm2,p53|Aldehyde dehydrogenase 1A1 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Parathyroid hormone receptor - Homo sapiens | Vitamin D receptor - Homo sapiens | Ferritin light chain - Equus caballus | Regulator of G-protein signaling 4 - Homo sapiens | Geminin - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens|Acetylcholinesterase - Electrophorus electricus | Nuclear factor NF-kappa-B p65 subunit - Homo sapiens | Nitric oxide synthase, inducible - Mus musculus | Serotonin 2a (5-HT2a) receptor - Rattus norvegicus | Caspase-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Cholinesterase - Equus caballus | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Transcriptional activator Myb - Gallus gallus | NACHT, LRR and PYD domains-containing protein 3 - Homo sapiens | UDP-N-acetylglucosamine 1-carboxyvinyltransferase - Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) | UDP-N-acetylglucosamine 1-carboxyvinyltransferase - Escherichia coli K-12 | Transcription factor Sp1 - Homo sapiens | Cyclooxygenase-2 - Homo sapiens |Org= Plasmodium falciparum | Orobanche cernua var. cumana|TAR DNA-binding protein 43 - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Ataxin-2 - Homo sapiens | Parathyroid hormone receptor - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|pre-B leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Medulloblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Melanoma|malignant melanoma|Skin Cancer|Epithelial cell carcinoma|Small Cell Lung Cancer|Small Cell Lung Carcinoma|Gen=NF-?B |
3D viewer |
Pubchem |
|
7251185 |
20554-84-1 |
CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C |
|
248.32000 |
C15H20O3 |
2.923 |
3 |
0 |
38.80 |
0.0 |
18 |
3 |
(-)-Parthenolide, an inhibitor of the Nuclear Factor-?B Pathway, specifically depletes HDAC1 protein without affecting other class I/II HDACs Also promotes the ubiquitination of MDM2 and activates p53 cellular functions. |
N/A |
| Sophocarpine |
Inhibitors |
Sophora flavescens|Eria anomala|Siphonaria capensis|Chondrodendron tomentosum|Epilobium hirsutum|Lycogala epidendrum|Shigella dysenteriae|Euphorbia nematocypha|Embelia schimperi|Baccharis neglecta|Aplophyllum alberti-regelii|Piper regnellii|Cordia leucocephala|Onopordum acanthium|Esenbeckia leiocarpa|Plathymenia reticulata|Gymnocalycium schickendantzii|Atraphaxis spinosa|Planchonia grandis|Helichrysum tenuifolium|Conus mus|Abelia chinensis|Dolabella californica|Hypericum styphelioides|Vernonia fagifolia|Rhinella marina|Monsonia senegalensis|Theonella conica|Haplophyllum obtusifolium|Lemaireocereus longispinus|Asimina parviflora|Ephedra sinica|Syzygium polycephaloides|Lythrum salicaria|Dendronephthya griffini|Centaurea maculosa|Latrunculia magnifica|Diospyros assimilis|Tricholoma columbetta|Morella rubra|Pteridium esculentum|Faramea salicifolia|Myxococcus stipitatus|Erysimum leptophyllum|Pancratium sickenbergeri|Erythrina melanacantha|Simarouba glauca|Vellozia nanuzae|Embelia parviflora| |
Gen=Others |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Esophageal and Esophagogastric Junction Cancers|Esophageal squamous cell carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
115269 |
6483-15-4 |
C1CC2CN3C(CC=CC3=O)C4C2N(C1)CCC4 |
|
246.35000 |
C15H22N2O |
1.394 |
1 |
0 |
23.60 |
0.0 |
18 |
4 |
Sophocarpine, a major ingredient of Sophora alopecuroides, has a wide range of pharmacological effects. |
N/A |
| Astragaloside A |
Inhibitors |
Astragalus membranaceus|Penicillium glabrum|Xestospongia deweerdtae|Stachys bombycina|Darlingia ferruginea|Hunteria congolana|Astragalus mongholicus|Hedysarum polybotrys|Usnea pectinata |
Gen=Calcium Channel|Org=Hepatitis B virus | Duck hepatitis B virus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-Hodgkin's Lymphomas|Chronic Lymphocytic Leukemia|Gen=Transmembrane Transporters |
3D viewer |
Pubchem |
|
13943299 |
83207-58-3 |
CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(CO8)O)O)O)C |
|
784.97000 |
C41H68O14 |
-0.348 |
5 |
8 |
228.00 |
7.0 |
55 |
8 |
Astragaloside A (Astragaloside IV) is the primary pure saponin isolated from Astragalus membranaceus, which has been widely used for the treatment of cardiovascular diseases. |
N/A |
| Gambogic Acid |
Inhibitors |
Garcinia hanburyi|Garcinia hanburryi|Croton discolor| |
Path=BCL2 pathway|BCL2L1 pathway|BIRC2 pathway|BIRC3 pathway|CCND1 pathway|ICAM1 pathway|MMP9 pathway|MYC pathway|PTGS2 pathway|RELA pathway|TRAF1 pathway|VEGFA pathway|CDC2 pathway|CDK1 pathway|CKD7 pathway|MAPK14 pathway|MAPK8 pathway|Gen=Bcl-2,Caspase|Cruzipain - Trypanosoma cruzi | Arachidonate 15-lipoxygenase - Homo sapiens | Arachidonate 15-lipoxygenase, type II - Homo sapiens | Vitamin D receptor - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | 78 kDa glucose-regulated protein - Homo sapiens | Ferritin light chain - Equus caballus | Nuclear receptor ROR-gamma - Mus musculus | Histone acetyltransferase GCN5 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Survival motor neuron protein - Homo sapiens|Acetylcholinesterase - Electrophorus electricus | Thioredoxin, mitochondrial - Homo sapiens | Inhibitor of nuclear factor kappa B kinase beta subunit - Homo sapiens | Thioredoxin - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Induced myeloid leukemia cell differentiation protein Mcl-1 - Homo sapiens | Cholinesterase - Equus caballus |Org= Staphylococcus aureus |
Dis=Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Human umbilical vein endothelial cell|Non-small Cell Lung Cancer|Lewis Lung carcinoma |Gen=Apoptosis |
3D viewer |
Pubchem |
|
9852185 |
2752-65-0 |
CC(=CCCC1(C=CC2=C(O1)C(=C3C(=C2O)C(=O)C4=CC5CC6C4(O3)C(C5=O)(OC6(C)C)CC=C(C)C(=O)O)CC=C(C)C)C)C |
|
628.75000 |
C38H44O8 |
6.957 |
6 |
1 |
119.00 |
8.0 |
46 |
4 |
Gambogic Acid activates caspases with EC50 of 0.78-1.64 &muM and competitively inhibits Bcl-XL, Bcl-2, Bcl-W, Bcl-B, Bfl-1 and Mcl-1 with IC50 of 1.47, 1.21, 2.02, 0.66, 1.06 and 0.79 &muM, respectively. |
Guttatic Acid, Guttic Acid |
| Resveratrol |
anti diabetic |
Vitis vinifera|Polygonum cuspidatum|Veratrum grandiflorum|Eucalyptus wandoo|Sinularia depressa|Daemonorops draco|Semen phaseoli|Picea glehnii|Rumex maritimus|Dryopteris crassirhizoma|Pleuropterus ciliinervis|Veratrum nigrum var. ussuriense|Gnetum latifolium|Hedysarum connatum|Humulus lupulus|Pseudoalteromonas luteoviolacea|Cassia dentata|Trifolium dubium|Sphaerella laricina|Hypericum laricifolium|Morus alba|Testa arachidis hypogaeae|Artemisia assoana|Adansonia grandidieri|Oroxylum indicum|Caragana tibetica|Aconitum seravschanicum|Dumortiera hirsuta|Ampelopsis glandulosa var. brevipedunculata|Rheum wittrocki|Senecio subdentatus|Streptomyces avermitilis|Fallopia multiflora|Arachis hypogaea|Drechslera avenae|Swertia franchetiana|Bassia muricata|Rheum coreanum|Cudrania javanensis|Sabina sargentii|Adiantum lunulatum|Rheum officinale|Nasutitermes ephratae|Bishovia boliviensis|Rheum palmatum|Vitis spp.|Acacia adunca|Chaenomeles sinensis|Rheum tanguticum|Veratrum album|Vatica rassak|Onobrychis arenaria|Caragana aurantiaca|Rubia cordifolia|Annona cornifolia|Eucalyptus melliodora|Smilax china|Broussonetia papyrifera|Vitis spp|Peltostigma guatemalense|Marrubium anisodon|Lavandula vera|Smilax glabra|Rauvolfia vomitoria|Biancaea decapetala|Ampelopsis brevipedunculata|Wikstroemia retusa|Cotyledon secunda|Vigna angularis|Enceliopsis argophylla|Caesalpinia decapetala|Pastinaca sativa|Calostephane divaricata|Vigna umbellata|Anacystis montana|Polygonum multiflorum|Naucleopsis ternstroemiiflora|Salvia syriaca|Vigna umbeuata|Laurencia spectabilis|Dictyopteris australis|Cytophaga hutchinsoni|Asterospicularia laurae|Scutellaria amoena|Eria mollis|Solanum laxum|Artocarpus dadah|Lepisorus ussuriensis|Amathia pinnata|Gnetum parvifolium|Alstonia spathulata|Gadus morhua callarias|Miliusa velutina|Phoebe pittieri|Aphyllocladus denticulatus|Eriocheir sinensis|Epichloe festucae var. lolii|Blastochloris viridis|Astragalus sempervirens|Dendriopoterium menendezii|Physalis alkekengi|Psychotria stachyoides|Olibanun|Premna odorata|Goniothalamus malayanus|Rivularia firma|Boehmeriae rhizoma et radix|Pinus sibirica|Justicia secunda|Aster sedifolius|Leathesia nana|Polygoni cuspidati rhizoma et radix|Ipomoea digitata|Neobalanocarpus heimii|Isaria fumosorosea|Zanthoxylum tetraspermum|Ampelopsis japonica|Aconitum tasiromontanum|Viguiera incana|Dodonaea viscosa|Smilax menispermoidea|Flacourtia jangomas|Dysoxylum cumingianum|Belamcandae rhizome|Radix cudraniae|Teucrium yemense|Helipterum roseum|Mori fructus|Lysimachia mauritiana|Rattus rattus|Iris domestica|Caulocystis cephalornithos|Vaccinium oxycoccos|Bulla striata| |
Gen=Autophagy|NAD(P)H dehydrogenase [quinone] 1 - Mus musculus | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Survival motor neuron protein - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Cytochrome P450 1A2 - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Cytochrome P450 2C19 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Pyruvate kinase - Leishmania mexicana | Lysine-specific demethylase 4D-like - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Prelamin-A/C - Homo sapiens | Cytochrome P450 19A1 - Homo sapiens | Monoamine oxidase B - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Histone acetyltransferase GCN5 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens |Org= Plasmodium falciparum|Carbonic anhydrase II - Homo sapiens | Carbonic anhydrase XIV - Homo sapiens | Carbonic anhydrase I - Homo sapiens | Carbonic anhydrase 15 - Mus musculus | Carbonic anhydrase VA - Homo sapiens | Carbonic anhydrase VB - Homo sapiens | Carbonic anhydrase IV - Homo sapiens | Carbonic anhydrase III - Homo sapiens | Carbonic anhydrase XII - Homo sapiens | Carbonic anhydrase XIII - Homo sapiens | Carbonic anhydrase VI - Homo sapiens | Carbonic anhydrase VII - Homo sapiens | Carbonic anhydrase IX - Homo sapiens| Chromobox protein homolog 1 - Homo sapiens | NAD-dependent deacetylase sirtuin 1 - Homo sapiens | Prenyltransferase homolog - Streptomyces coelicolor A3 | Estrogen receptor beta - Homo sapiens | Beta amyloid A4 protein - Homo sapiens | P-glycoprotein 1 - Homo sapiens | Protein-tyrosine phosphatase 1B - Homo sapiens | Cyclooxygenase-1 - Homo sapiens | Tyrosine-protein kinase LCK - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | 78 kDa glucose-regulated protein - Homo sapiens | Cyclooxygenase-1 - Ovis aries | Tyrosinase - Agaricus bisporus | Cyclooxygenase-2 - Homo sapiens | Transient receptor potential cation channel subfamily A member 1 - Rattus norvegicus | Androgen Receptor - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Regulator of G-protein signaling 4 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | M-phase phosphoprotein 8 - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Zinc finger protein mex-5 - Caenorhabditis elegans | Aryl hydrocarbon receptor - Oryctolagus cuniculus | Monoamine oxidase A - Homo sapiens | Niemann-Pick C1 protein - Homo sapiens | Serine/threonine-protein kinase mTOR - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Ornithine decarboxylase - Homo sapiens | Apoptosis regulator Bcl-X - Homo sapiens | Alpha-1d adrenergic receptor - Rattus norvegicus | Arachidonate 15-lipoxygenase, type II - Homo sapiens | Leukotriene A4 hydrolase - Homo sapiens | N1L - Vaccinia virus | Huntingtin - Homo sapiens | M18 aspartyl aminopeptidase - Plasmodium falciparum 3D7 | Norepinephrine transporter - Homo sapiens | Nitric oxide synthase, inducible - Mus musculus | Nuclear receptor ROR-gamma - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Large T antigen - Simian virus 40 | Carbonic anhydrase II - Homo sapiens | Bcr/Abl fusion protein - Homo sapiens | Tyrosinase - Mus musculus | Ras-related protein Rab-9A - Homo sapiens | NAD-dependent deacetylase sirtuin 2 - Homo sapiens | Cytochrome P450 1A1 - Homo sapiens | Cyclooxygenase-2 - Ovis aries | Sucrase-isomaltase - Rattus norvegicus | Tyrosinase - Homo sapiens | Cholinesterase - Equus caballus | Acidic alpha-glucosidase - Rattus norvegicus | Cerebroside-sulfatase - Homo sapiens | Lysosomal alpha-glucosidase - Homo sapiens | FAD-linked sulfhydryl oxidase ALR - Homo sapiens | Peripheral myelin protein 22 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | Quinone reductase 2 - Homo sapiens | Bloom syndrome protein - Homo sapiens | Cytochrome P450 1B1 - Homo sapiens | Protein kinase C alpha - Homo sapiens | Cathepsin L - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | Canalicular multispecific organic anion transporter 1 - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Carbonic anhydrase IX - Homo sapiens | 6-phospho-1-fructokinase - Trypanosoma brucei |Org= Filobasidiella neoformans | Pseudomonas aeruginosa PAO1 | Streptococcus mutans | Plasmodium falciparum | Candida albicans SC5314 | Helicobacter pylori | Neofusicoccum luteum | Human immunodeficiency virus 1 | Chromobacterium violaceum | Neisseria gonorrhoeae | Candida albicans | Streptococcus sanguinis | Staphylococcus aureus | Tetrahymena thermophila | Saccharomyces cerevisiae | Agrobacterium tumefaciens | Pseudomonas aeruginosa | Leishmania donovani |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Non-Melanoma Skin Cancers|Fibroblast|Non-small Cell Lung Cancer|Lewis Lung carcinoma |Gen=Autophagy |
3D viewer |
Pubchem |
4JAZ 1DVS 4QOH 4QOJ |
445154 |
501-36-0 |
C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O |
LUKBXSAWLPMMSZ-UHFFFAOYSA-N |
228.24000 |
C14H12O3 |
3.09 |
0 |
3 |
60.70 |
2.0 |
17 |
2 |
Resveratrol has a wide spectrum of targets including cyclooxygenases(i.e. COX, IC50=1.1 ?M), lipooxygenases?LOX, IC50=2.7 ?M?, kinases, sirtuins and other proteins. It has anti-cancer, anti-inflammatory, blood-sugar-lowering and other beneficial cardiovascular effects. |
N/A |
| Iso-Steviol |
anti diabetic |
Stevia rebaudiana |
Gen=Others |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
99514 |
27975-19-5 |
CC12CCC3C4(CCCC(C4CCC3(C1)CC2=O)(C)C(=O)O)C |
KFVUFODCZDRVSS-UHFFFAOYSA-N |
318.45000 |
C20H30O3 |
3.924 |
2 |
0 |
54.40 |
1.0 |
23 |
|
Isosteviol (ISV) is mainly obtained by acid hydrolysis of stevioside, the sweet food additive extracted from the plant Stevia Rebaudiana Bertoni (Bertoni). It possesses various biological activities including anti-hyperglycemic, anti-hypertensive, anti-tumor, anti-inflammatory, and antioxidant effects. |
N/A |
| Schisandrin B (Sch B) |
Inhibitors |
Schisandra chinensis|Schisandra fructus|Kadsura coccinea|Tripterygium wilfordii|Glycyrrhiza glabra|Schisandra rubriflora|Nicotiana undulata|Coreopsis nodosa|Streptomyces flocculus|Glycine tomentella|Tripolium pannonicum|Haematococcus lacustris|Senecio paludaffinis|Panax schinseng|Saccharomyces pastori|Hypoxylon rubiginosum|Tachigalia paniculata|Trigonella grandiflora|Pterocladiella tenuis|Uvaria calamistrata|Alstonia muelleriana|Passiflora incarnata|Dacrydium cupressinum|Artemisia cina|Tripterygii radix|Kadsurae coccineae radix et caulis|Schisandra sphenanthera| |
Path=ATM pathway|ATR pathway|ATRIP pathway|PIK3CA pathway|MTOR pathway|BRCA1 pathway|CHEK1 pathway|SMC1A pathway|TP53 pathway|MAPK1 pathway|MAPK3 pathway|Gen=ATM/ATR,P-gp|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus|Multidrug resistance-associated protein 1 - Homo sapiens | DNA-dependent protein kinase - Homo sapiens | Serine-protein kinase ATM - Homo sapiens | Serine-protein kinase ATR - Homo sapiens|Org=Human immunodeficiency virus |
Dis=Breast Cancer|Ductal Adenocarcinoma|Breast Carcinoma|Chronic Myelogenous Leukemia|Head and Neck Cancers|epidermoid carcinoma of the nasopharynx|Hepatobiliary Cancer|Hepatocellular Carcinoma|Kidney Cancer|Embryonic Kidney Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=PI3K/Akt/mTOR |
3D viewer |
Pubchem |
|
108130 |
61281-37-6 |
CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)OC)OC)OCO3 |
|
400.46000 |
C23H28O6 |
5.067 |
6 |
0 |
55.40 |
4.0 |
29 |
4 |
Schisandrin B is the most abundant dibenzocyclooctadiene lignan present in the traditional Chinese medicinal herb Schisandra chinensis (Turcz.) Baill. It is a kind of ATR and P-gp inhibitor with high safety. |
N/A |
| Tectoridin |
Inhibitors |
Pueraria thunbergiana|Pueraria montana var. thomsonii|Amorphinopsis foetida|Codonopsis radix|Puerariae flos|Iridis tectori rhizoma|Belamcandae rhizome|Iris domestica|Iris tectorum|Psammosilene tunicoides|Pueraria montana var. lobata|Belamcanda chinensis|Polygonatum odoratum|Maackia amurensis|Iris dichotoma|Astragalus wiedemannianus|Cochlospermum tinctorium|Bertya dimerostigma|Delphinium barbeyi|Asterias rathbuni|Fomes fastuosus |
Gen=Others |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Gen=Others |
3D viewer |
Pubchem |
|
5281810 |
611-40-5 |
COC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O |
|
462.40000 |
C22H22O11 |
0.194 |
5 |
6 |
175.00 |
5.0 |
33 |
4 |
Tectoridin, an isoflavone isolated from flowers of Pueraria thunbergiana, has several pharmacological effects including anti-cancer, anti-inflammatory, antioxidant, and hepatoprotectivy. |
Shekanin |
| (E)-Cardamoni |
Inhibitors |
Polygonum limbatum|Amomum subulatum|Boesenbergia pandurata|Matsucoccus josephi|Podocarpus macrophyllus|Lactarius mitissimus|Alpinia speciosa|Bethencourtia palmensis|Lemonia spectabilis|Alpinia katsumadai hayat|Alpinia katsumadai|Esox lucius|Kaempferia pandurata|Etlingera elatior|Salix rosmarinifolia|Mentzelia decapetala|Petunia axillaris subsp. parodii|Xylopia emarginata|Salvia patens|Sphaeria rousseliana|Pulsatilla chinensis|Parmotrema nilgherrense|Lepechinia urbanii|Nepytia freemani|Helleborus macranthus|Erythrina hypaphorus|Centaurea scoparia|Mucuna holtonii|Drymaria cordata|Aniba santalodora|Cynoglossum macrostylum|Euphorbia hylonoma|Quercus marilandica|Lonchocarpus chiricanus|Dialium excelsum|Salvia virgata|Hardenbergia violacea|Boswellia ovalifoliolata|Etmopterus spinax|Iris kashmiriana|Maclura cochinchinensis|Rubia akane|Dysidea fragilis|Pterocaulon serrulatum|Thalassiosira weissflogii|Podocarpus dacrydioides|Beilschmiedia madang|Campanula choziatowskyi|Salvia lavanduloides|Colchicum filifolium|Orgyia pseudotsugata|Matricaria sabulosa|Astragalus circassicus|Preussia terricola|Amorphophallus konjac|Centaurea sonchifolia|Senecio platyphylloides|Mimosa pigra|Heliotropium scabrum|Gaillardia coahuilensis |
Path=BCL2 pathway|TNFRSF10C pathway|XIAP pathway|TNFRSF10A pathway|TNFRSF10B pathway|TNFSF10 pathway|Gen=NF-?B,Calcium Channel|Gen=NF-?B,Calcium Channel|Neuropeptide S receptor - Homo sapiens | DNA polymerase iota - Homo sapiens | Geminin - Homo sapiens | Ataxin-2 - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Microtubule-associated protein tau - Homo sapiens | Protease - Human immunodeficiency virus 1 | Dengue virus type 2 NS3 protein - Dengue virus type 2 (strain Thailand/16681/1984) (DENV-2) | Lysine-specific demethylase 4A - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | Voltage-gated potassium channel subunit Kv1.3 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus |Org= Plasmodium falciparum |
Dis=Acute Myeloid Leukemia|Acute Monocytic Leukemia |Colorectal Cancer|Colorectal Adenocarcinoma|Gen=NF-?B |
3D viewer |
Pubchem |
|
641785 |
19309-14-9 |
COC1=CC(=CC(=C1C(=O)C=CC2=CC=CC=C2)O)O |
|
270.28000 |
C16H14O4 |
3.201 |
2 |
2 |
66.80 |
4.0 |
20 |
2 |
Cardamonin is a naturally occurring chalcone with strong anti-inflammatory activity. It is a novel TRPA1 antagonist with IC50 of 454 nM and also a NF-kB inhibitor. |
Alpinetin chalcone, cardamomin |
| Tectoridin |
anti diabetic |
Pueraria thunbergiana|Pueraria montana var. thomsonii|Amorphinopsis foetida|Codonopsis radix|Puerariae flos|Iridis tectori rhizoma|Belamcandae rhizome|Iris domestica|Iris tectorum|Psammosilene tunicoides|Pueraria montana var. lobata|Belamcanda chinensis|Polygonatum odoratum|Maackia amurensis|Iris dichotoma|Astragalus wiedemannianus|Cochlospermum tinctorium|Bertya dimerostigma|Delphinium barbeyi|Asterias rathbuni|Fomes fastuosus |
Gen=Others |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Gen=Others |
3D viewer |
Pubchem |
|
5281810 |
611-40-5 |
COC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O |
|
462.40000 |
C22H22O11 |
0.194 |
5 |
6 |
175.00 |
5.0 |
33 |
4 |
Tectoridin, an isoflavone isolated from flowers of Pueraria thunbergiana, has several pharmacological effects including anti-cancer, anti-inflammatory, antioxidant, and hepatoprotectivy. |
Shekanin |
| Liquiritigenin |
Inhibitors |
Platymiscium floribundum|Sargassum pallidum|Glycyrrhiza inflata|Dalbergia odorifera|Sophora flavescens|Epimedium koreanum|Spatholobus suberectus|Glycyrrhiza glabra|Robinia pseudoacacia|Glycyrrhiza uralensis|Cicer arietinum |
Gen=Estrogen/progestogen Receptor |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Colorectal Cancer|ileocecal colorectal adenocarcinoma |Melanoma|Murine Melanoma|Gen=Endocrinology & Hormones |
3D viewer |
Pubchem |
1FM7 1JX1 1JX0 |
114829 |
578-86-9 |
C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O |
|
256.25000 |
C15H12O4 |
2.615 |
2 |
2 |
66.80 |
1.0 |
19 |
3 |
Liquiritigenin, the most active estrogenic compound from the root of Glycyrrhizae uralensis Fisch, selectively binds to ER? with an IC50 value of 7.5 ?M and activates multiple ER regulatory elements and native target genes with Er? but not ER?. |
4',7-Dihydroxyflavanone |
| Artemisinin |
anti infection |
Artemisia annua| |
Path=MMP2 pathway|CDK2 pathway|CDK4 pathway|RB1 pathway|SP1 pathway|Gen=Anti-infection|Org=Plasmodium falciparum 3D7 | Plasmodium falciparum | Plasmodium berghei | Plasmodium falciparum (isolate K1 / Thailand) | Plasmodium falciparum D6|Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | TAR DNA-binding protein 43 - Homo sapiens | Nonstructural protein 1 - Influenza A virus | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis |Org= Plasmodium falciparum|Histidine-rich protein - Plasmodium falciparum | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Cytochrome P450 2B6 - Homo sapiens | Geminin - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Cytochrome P450 1A2 - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Cholinesterase - Equus caballus | Ferritin light chain - Equus caballus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens |Org= Plasmodium berghei | Plasmodium falciparum 3D7 | Ipomoea grandifolia | Toxoplasma gondii | Plasmodium falciparum (isolate FcB1 / Columbia) | Leishmania donovani | Trypanosoma cruzi | Epilachna | Issatchenkia orientalis | Plasmodium yoelii nigeriensis | Candida albicans | Trypanosoma brucei rhodesiense | Gallus gallus | Filobasidiella neoformans | Urochloa decumbens | Plasmodium vinckei petteri | Balamuthia mandrillaris | Hepatitis B virus | Giardia intestinalis | Plasmodium falciparum NF54 | Fusarium oxysporum|Androgen Receptor - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Huntingtin - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Melanoma|malignant melanoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=Microbiology |
3D viewer |
Pubchem |
|
68827 |
63968-64-9 |
CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)C |
BLUAFEHZUWYNDE-UHFFFAOYSA-N |
282.33000 |
C15H22O5 |
1.998 |
5 |
0 |
54.00 |
0.0 |
20 |
3 |
Artemisinin is a sesquiterpene endoperoxide which is a potent antimalarial agent. |
Qinghaosu,Artemisinine |
| Xanthohumol |
Inhibitors |
Humulus lupulus|Abelia chinensis|Hoffmannia strigillosa|Artemisia dentata|Vellozia nanuzae|Faramea salicifolia|Dendronephthya griffini|Piper regnellii|Buddleja cordata|Prorocentrum micans|Gymnocalycium schickendantzii|Rapanea lancifolia|Theonella conica|Lythrum salicaria|Syncarpia hillii|Centaurea maculosa|Latrunculia magnifica|Rhinella marina|Asimina parviflora|Helichrysum tenuifolium|Morella rubra|Lemaireocereus griseus|Ephedra sinica|Syzygium polycephaloides|Erysimum leptophyllum|Pteridium esculentum|Myxococcus stipitatus|Onopordum acanthium|Atalantia racemosa|Sophora flavescens|Lemaireocereus longispinus|Baccharis neglecta|Millettia erythrocalyx|Atraphaxis spinosa|Xenoacremonium recifei|Aplophyllum alberti-regelii|Negombata magnifica|Cordia leucocephala|Conus mus|Dolabella californica|Scorzonera pseudodivaricata|Buphane fischeri|Crambe tatarica|Simarouba glauca|Monsonia senegalensis|Shigella dysenteriae|Embelia schimperi|Alkanna cappadocica|Clerodendrum bungei|Diospyros eriantha|Plathymenia reticulata|Chondrodendron tomentosum|Lycogala epidendrum|Epilobium hirsutum|Haplophyllum obtusifolium|Ononis vaginalis|Hypericum styphelioides|Eria anomala|Tricholoma columbetta|Pteris semipinnata|Euphorbia nematocypha|Embelia parviflora|Pancratium sickenbergeri|Juniperus rigida var. conferta|Fritillaria ningguoensis|Erythrina melanacantha|Vernonia fagifolia|Esenbeckia leiocarpa|Siphonaria capensis|Planchonia grandis|Diospyros assimilis|Salvia hispanica|Mycobacterium leprae |
Path=IL6 pathway|ALPL pathway|PSEN2 pathway|VWF pathway|MKI67 pathway|BAX pathway|BCL2 pathway|BCL2L1 pathway|PARP1 pathway|CASP3 pathway|CASP7 pathway|CASP8 pathway|CASP9 pathway|Gen=COX|Protein kinase C alpha - Homo sapiens | Arachidonate 5-lipoxygenase - Homo sapiens | Prostaglandin E synthase - Homo sapiens | Lymphocyte antigen 96 - Homo sapiens | 3-phosphoinositide dependent protein kinase-1 - Homo sapiens |Org= Human immunodeficiency virus 1 | Plasmodium falciparum |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Bone Cancer|Osteosarcoma|Breast Cancer|Breast Adenocarcinoma|Ductal Adenocarcinoma|Central Nervous System Cancers|Neruoblastoma|Neuroblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Soft Tissue Sarcoma|Sarcoma|Gen=Metabolism |
3D viewer |
Pubchem |
|
639665 |
6754-58-1 |
CC(=CCC1=C(C=C(C(=C1O)C(=O)C=CC2=CC=C(C=C2)O)OC)O)C |
|
354.40000 |
C21H22O5 |
4.816 |
2 |
3 |
87.00 |
6.0 |
26 |
2 |
Xanthohumol, a prenylated chalcone from hop, inhibits COX-1 and COX-2 activity and shows chemopreventive effects. Phase 1. |
N/A |
| Syringic acid |
anti infection |
Inonotus obliquus |
Path=NFKB5 pathway |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|NFKB1Gen=Others |
3D viewer |
Pubchem |
|
10742 |
530-57-4 |
COC1=CC(=CC(=C1O)OC)C(=O)O |
JMSVCTWVEWCHDZ-UHFFFAOYSA-N |
198.17000 |
C9H10O5 |
1.184 |
3 |
1 |
76.00 |
3.0 |
14 |
|
Syringic acid (SYRA) is a potential antioxidant used in traditional Chinese medicine and is an emerging nutraceutical. It has potential anti-angiogenic, anti-glycating, anti-hyperglycaemic, neuroprotective, and memory-enhancing properties. |
3,5-dimethyl ether Gallic Acid, 3,5-dimethoxy-4-hydroxy Benzoic Acid, NSC 2129, SYRA |
| Cinchonine(LA40221) |
anti infection |
Cinchona spp |
Gen=Others|Glucose transporter - Homo sapiens | Glucose transporter - Leishmania mexicana | Hexose transporter 1 - Plasmodium falciparum | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Geminin - Homo sapiens | Cytochrome P450 2D6 - Homo sapiens | Reverse transcriptase - Human immunodeficiency virus 1 | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus |Org= Plasmodium falciparum | Trypanosoma brucei brucei | Plasmodium falciparum 3D7 | Plasmodium falciparum (isolate K1 / Thailand)|Cholinesterase - Equus caballus | Glucose transporter - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | Leishmania mexicana mexicana |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Chronic Myelogenous Leukemia|Gen=Angiogenesis |
3D viewer |
Pubchem |
|
90454 |
118-10-5 |
C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O |
KMPWYEUPVWOPIM-QAMTZSDWSA-N |
294.40000 |
C19H22N2O |
2.75 |
1 |
1 |
36.40 |
3.0 |
22 |
2 |
Cinchonine is an alkaloid and a stereoisomer and pseudo-enantiomer of cinchonidine. |
N/A |
| Cinchonidine |
anti infection |
Cinchona spp |
Gen=Anti-infection|Gen=Others|Glucose transporter - Homo sapiens | Glucose transporter - Leishmania mexicana | Hexose transporter 1 - Plasmodium falciparum | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Geminin - Homo sapiens | Cytochrome P450 2D6 - Homo sapiens | Reverse transcriptase - Human immunodeficiency virus 1 | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus |Org= Plasmodium falciparum | Trypanosoma brucei brucei | Plasmodium falciparum 3D7 | Plasmodium falciparum (isolate K1 / Thailand)|Cholinesterase - Equus caballus | Glucose transporter - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | Leishmania mexicana mexicana |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Chronic Myelogenous Leukemia|Gen=Microbiology |
3D viewer |
Pubchem |
|
101744 |
485-71-2 |
C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O |
KMPWYEUPVWOPIM-UHFFFAOYSA-N |
294.39000 |
C19H22N2O |
2.75 |
1 |
1 |
36.40 |
3.0 |
22 |
2 |
Cinchonidine is an alkaloid used in asymmetric synthesis in organic chemistry. |
N/A |
| Oleanolic Acid |
anti infection |
Plantago major|Viburnum awabuki|Prunus dulcis|Olea europaea|Pygeum africanum|Achyranthes bidentata|Achyranthes fauriei|Achyranthes japonica| |
Path=AR pathway|Beta-lactamase AmpC - Escherichia coli K-12 | Streptokinase A - Streptococcus pyogenes serotype M1 | Rap guanine nucleotide exchange factor 4 - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | DNA polymerase beta - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus |Org= Plasmodium falciparum | Streptococcus | Streptococcus sp. 'group A'|Glycogen phosphorylase, muscle form - Oryctolagus cuniculus | Protein-tyrosine phosphatase 1B - Homo sapiens | T-cell protein-tyrosine phosphatase - Homo sapiens |Org= Staphylococcus aureus | Mycobacterium tuberculosis | Mycobacterium tuberculosis H37Rv | Plasmodium falciparum | Bacillus subtilis |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|Gen=Microbiology |
3D viewer |
Pubchem |
|
10494 |
508-02-1 |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C |
MIJYXULNPSFWEK-GTOFXWBISA-N |
456.70000 |
C30H48O3 |
6.282 |
1 |
1 |
57.50 |
1.0 |
33 |
5 |
Oleanolic Acid is a non-toxic, hepatoprotective triterpenoid found in Phytolacca Americana, which exerts antitumor and antiviral properties. |
Caryophyllin |
| Vidarabine |
anti infection |
Isatis indigotica|Streptomyces herbaceus am-3279|Boschniakia rossica| |
Gen=DNA/RNA Synthesis|Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Geminin - Homo sapiens | Adenosylhomocysteinase - Mus musculus | Hepatitis C virus NS5B RNA-dependent RNA polymerase - Hepatitis C virus | Dipeptidyl peptidase IV - Homo sapiens | Adenylate cyclase type V - Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens |Org= Human herpesvirus 1 | Human herpesvirus 2 | Moloney murine leukemia virus | Human herpesvirus 3 | Vaccinia virus | Trichomonas vaginalis | Cowpox virus | Human herpesvirus 1 strain KOS | Vaccinia virus Copenhagen | Macacine herpesvirus 1 | African swine fever virus | unidentified influenza virus | Human herpesvirus 5|Org=Oryctolagus cuniculus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Gen=DNA Damage |
3D viewer |
Pubchem |
4JV0 4YR2 5KFD 4KLS |
21704 |
5536-17-4 |
C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O |
OIRDTQYFTABQOQ-UHFFFAOYSA-N |
267.24000 |
C10H13N5O4 |
-1.881 |
4 |
4 |
140.00 |
2.0 |
19 |
3 |
Vidarabine is an antiviral drug by interfering with the synthesis of viral DNA, used to treat herpes simplex and varicella zoster viruses. |
N/A |
| (+)-Catechin |
anti infection |
Hamamelis virginiana|Salix hulteni|Diospyros kaki|Ulmus davidiana|Litchi chinensis|Theobroma cocoa|Polygonum cuspidatum|Centella asiatica|Rheum officinale|Polyporus ellisii|Uncariae ramulus cumuncis|Ampelopsis japonica|Chaenomeles sinensis|Rheum palmatum|Spirographis spallanzani|Herbahypericiperforati|Houttuynia cordata|Chaenomeles speciosa|Rheum tanguticum|Cissus quinquefolia|Areca catechu|Hippophae rhamnoides|Cinamomum cassia|Rosa laevigata|Dioscoreaebulbiferae|Eucommia ulmoides|Cinnamomum aromaticum|Sargentodoxa cuneata|Rabdosia rosthornii|Agrimonia pilosa|Crataegus pinnatifida|Smilax china|Streptomyces libani|Lysimachiae herba|Drynaria fortunei|Cynomorium songaricum|Smilax glabra|Laurencia snyderae|Rhizoma fagopyri cymosi|Rumex japonicus|Solanum nigrum|Celastri orbiculati fructus|Crataegi folium|Fagopyrum dibotrys|Spatholobus suberectus|Hordei fructus germinatus|Semen aesculi|Euphorbia hirta|Thymus quinquecostatus|Gleditsiae fructus|Apocyniveneti folium|Morus alba|Ginkgo biloba|Thymus vulgaris|Phaseoli semen|Scutellaria baicalensis|Gleditsia japonica|Uncaria gambir|Herba pyrolae|Uncaria sinensis|Gleditsia sinensis|Uncaria macrophylla|Folium nelumbinis|Poria cocos|Uncaria rhynchophylla|Hippophae fructus|Polygonum orientale|Humulus lupulus|Nelumbo nucifera|Hypericum perforatum|Vigna angularis|Vigna umbellata|Actinidia chinensis planch|Lilium brownii|Vigna umbeuata|Amomum tsao-ko|Dimocarpus longan|Lilium lancifolium|Vitex negundo|Eucommiae cortex|Portulaca oleracea|Zanthoxylum bungeanum|Rumex nepalensis|Zanthoxylum piperitum|Cinnamomi ramulus|Lilium pumilum|Perilla frutescens|Zanthoxylum schinifolium|Arecae semen|Paeonia lactiflora|Morus bombycis|Ixeris tamagawaensis|Zingiber officinale|Gleditsiae spina|Murraya exotica|Senecio dryophyllus|Ziziphus jujuba|Abutilon theophrasti|Murraya paniculata|Senecio sinuatus|Hymenopenaeus sibogae|Senegalia catechu|Orostachys fimbriata|Heliomeris multiflora|Casimiroa tetrameria|Inula graveolens|Aloe africana|Orostachys japonicus|Aster koraiensis|green tea|Aloe vera|Aloe ferox|Bactrocera cucumis|Collisella limatula|Aloe spicata|Fallopia multiflora|Solanum giganteum|Aglaia oligophylla|Ageratum houstonianum|Apocynum venetum|Prunus mume|Ligularia dentata|Aspergillus heterothallicus|Punica granatum|Colchicum speciosum|Boehmeria nivea|Rheum coreanum|Licania pittieri |
Path=MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|Gen=ROS|Neuraminidase - Influenza A virus | Fatty acid synthase - Homo sapiens | Cyclooxygenase-1 - Ovis aries | Beta-secretase 1 - Homo sapiens |Org= Meloidogyne incognita | Plasmodium falciparum |
Dis=Hepatobiliary Cancer|Hepatoma|Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Neuroblastoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
4C9I 4C94 3I52 |
9064 |
154-23-4 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
PFTAWBLQPZVEMU-DZGCQCFKSA-N |
290.27000 |
C15H14O6 |
2.021 |
1 |
5 |
110.00 |
1.0 |
21 |
3 |
Cianidanol is an antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms. |
Cianidanol, Catechinic acid, Catechuic acid |
| Iso-Steviol |
ion channels related |
Stevia rebaudiana |
Gen=Others |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
99514 |
27975-19-5 |
CC12CCC3C4(CCCC(C4CCC3(C1)CC2=O)(C)C(=O)O)C |
KFVUFODCZDRVSS-UHFFFAOYSA-N |
318.45000 |
C20H30O3 |
3.924 |
2 |
0 |
54.40 |
1.0 |
23 |
|
Isosteviol (ISV) is mainly obtained by acid hydrolysis of stevioside, the sweet food additive extracted from the plant Stevia Rebaudiana Bertoni (Bertoni). It possesses various biological activities including anti-hyperglycemic, anti-hypertensive, anti-tumor, anti-inflammatory, and antioxidant effects. |
N/A |
| Gambogic Acid |
ion channels related |
Garcinia hanburyi|Garcinia hanburryi|Croton discolor| |
Path=BCL2 pathway|BCL2L1 pathway|BIRC2 pathway|BIRC3 pathway|CCND1 pathway|ICAM1 pathway|MMP9 pathway|MYC pathway|PTGS2 pathway|RELA pathway|TRAF1 pathway|VEGFA pathway|CDC2 pathway|CDK1 pathway|CKD7 pathway|MAPK14 pathway|MAPK8 pathway|Gen=Bcl-2,Caspase|Cruzipain - Trypanosoma cruzi | Arachidonate 15-lipoxygenase - Homo sapiens | Arachidonate 15-lipoxygenase, type II - Homo sapiens | Vitamin D receptor - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | 78 kDa glucose-regulated protein - Homo sapiens | Ferritin light chain - Equus caballus | Nuclear receptor ROR-gamma - Mus musculus | Histone acetyltransferase GCN5 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Survival motor neuron protein - Homo sapiens|Acetylcholinesterase - Electrophorus electricus | Thioredoxin, mitochondrial - Homo sapiens | Inhibitor of nuclear factor kappa B kinase beta subunit - Homo sapiens | Thioredoxin - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Induced myeloid leukemia cell differentiation protein Mcl-1 - Homo sapiens | Cholinesterase - Equus caballus |Org= Staphylococcus aureus |
Dis=Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Human umbilical vein endothelial cell|Non-small Cell Lung Cancer|Lewis Lung carcinoma |Gen=Apoptosis |
3D viewer |
Pubchem |
|
9852185 |
2752-65-0 |
CC(=CCCC1(C=CC2=C(O1)C(=C3C(=C2O)C(=O)C4=CC5CC6C4(O3)C(C5=O)(OC6(C)C)CC=C(C)C(=O)O)CC=C(C)C)C)C |
|
628.75000 |
C38H44O8 |
6.957 |
6 |
1 |
119.00 |
8.0 |
46 |
4 |
Gambogic Acid activates caspases with EC50 of 0.78-1.64 &muM and competitively inhibits Bcl-XL, Bcl-2, Bcl-W, Bcl-B, Bfl-1 and Mcl-1 with IC50 of 1.47, 1.21, 2.02, 0.66, 1.06 and 0.79 &muM, respectively. |
Guttatic Acid, Guttic Acid |
| Carvacrol |
anti infection |
Satureja hortensis |
Gen=Others |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Gen=Others |
3D viewer |
Pubchem |
|
10364 |
499-75-2 |
CC1=C(C=C(C=C1)C(C)C)O |
RECUKUPTGUEGMW-UHFFFAOYSA-N |
150.22000 |
C10H14O |
3.268 |
0 |
1 |
20.20 |
1.0 |
11 |
|
Carvacrol, monoterpenic phenol isomeric with thymol, has diverse activities such as antimicrobial, antitumor, an-timutagenic, antigenotoxic, analgesic, antispasmodic, anti-inflammatory, angiogenic, antiparasitic, antiplatelet, AChE inhibitory, antielastase, insecticidal, antihepatotoxic and hepatoprotective activities. |
cymophenol |
| Myricetin |
kinase_inhibitor |
Myrica rubra|Diospyros lotus|Hypericum perforatum| |
Path=CYP1A1 pathway|CYP1B1 pathway|Gen=MEK |
Dis=Acute Myeloid Leukemia|Basophilic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Kidney Cancer|Renal Cell Adenocarcinoma|Melanoma|Amelanotic melanoma|malignant melanoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Prostate Cancer|prostate Carcinoma|Prostate Adenocarcinoma|Gen=Others |
3D viewer |
Pubchem |
3HBF 1E90 2IOD 4GQR |
5281672 |
529-44-2 |
C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O |
IKMDFBPHZNJCSN-UHFFFAOYSA-N |
318.24000 |
C15H10O8 |
1.388 |
2 |
6 |
148.00 |
1.0 |
23 |
|
Myricetin, a natural flavonoid with antioxidant and anti tumor properties, is a novel inhibitor of MEK1 activity and transformation of JB6 P+ mouse epidermal cells. It also inhibits PI3K? with Kd of 0.17 ?M. |
Cannabiscetin, Myricetol, Myricitin |
| Quercetin |
kinase_inhibitor |
Allium cepa|Diospyros lotus|Vaccinium macrocarpon|Ginkgo biloba|Aspergillus niger|Ardisia japonica|Draba nemorosa|Rabdosia japonica|Alnus sieboldiana|Hypericum perforatum| |
Path=CD19 pathway|CASP3 pathway|MAPK14 pathway|PTGS1 pathway|PTGS2 pathway|TNF pathway|CYP1A1 pathway|CYP1B1 pathway|Gen=Src,Sirtuin,PKC,PI3K |
Dis=Acute Lymphoblastic Leukemia|B-cell lymphoma|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|epidermal carcinoma of cervix|Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|Oral Squamous Cell Carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Kidney Cancer|Renal Cell Adenocarcinoma|Melanoma|Amelanotic melanoma|malignant melanoma|Murine Melanoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Prostate Cancer|prostate Carcinoma|Prostate Adenocarcinoma|Gen=Epigenetics |
3D viewer |
Pubchem |
3BPT 2HCK 4LMU 3LJ0 |
5280343 |
117-39-5 |
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O |
REFJWTPEDVJJIY-UHFFFAOYSA-N |
302.24000 |
C15H10O7 |
1.63 |
2 |
5 |
127.00 |
1.0 |
22 |
|
Quercetin, a natural flavonoid present in vegetables, fruit and wine, is a stimulator of recombinant SIRT1 and also a PI3K inhibitor with IC50 of 2.4-5.4 ?M. Phase 4. |
Meletin, Quercetine |
| Scopoletin |
kinase_inhibitor |
Artemisia argyi|Gelsemium sempervirens| |
Path=BIRC5 pathway|CCND1 pathway|PCNA pathway|STAT3 pathway|CASP3 pathway|TP53 pathway|Gen=Immunology & Inflammation related |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Melanoma|malignant melanoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
|
5280460 |
92-61-5 |
COC1=C(C=C2C(=C1)C=CC(=O)O2)O |
RXXROUJXJUCLTH-UHFFFAOYSA-N |
192.17000 |
C10H8O4 |
1.641 |
3 |
1 |
55.80 |
1.0 |
14 |
|
Scopoletin is the main bioactive constituent of flower buds from Magnolia fargesii with anti-inflammatory, hypouricemic, and antioxidant activities. |
Esculetin 6-methyl ether, Gelseminic acid, 6-Methylesculetin, Chrysatropic acid |
| Genistein |
kinase_inhibitor |
Pueraria thunbergiana|Pueraria radix|Pueraria mirifica|Dalbergia parviflora|Pueraria thomsonii|Cudrania tricuspidata|Pauridiantha callicarpoides|Coniochaeta saccardoi|Atroxima liberica|Lespedeza floribunda|Glycine max|Arum maximum|Streptomyces griseochromogenes|Tolypocladium album|Trogoderma granarium|aged korean fermented soybean paste|Glycyrrhiza glabra|Bergenia crassifolia|Euphrasia stricta|Astragalus spinosus|Streptomyces mirabilis|Glycyrrhiza inflata|Dalbergia obtusa|Rheum qinlingense|Palafoxia texana|Glycyrrhiza uralensis|Delphinium barbeyi|Papaver tatricum|Amaranthus spinosus|Dunalia solanacea|Lawsonia inermis|Dalbergia sissoo|Murraya exotica|Ips cembrae|Lippia integrifolia|Abies amabilis|Scolopia chinensis|Derris scandens|Murraya paniculata|Chelonaplysilla violacea|Piper dilatatum|Crotalaria orixensis|Heliotropium hirsutissimum|Calicotome villosa|Macadamia ternifolia|Peltogyne pubescens|Christisonia bicolor|[clostridium] cellulolyticum|Pueraria lobata|Prunus serrulata var. spontanea|Cullen corylifolium|Erysimum siliculosum|Pseudoceratina arabica|Citrus rugulosa|Albizia subdimidiata|Hyoscyamus pusillus|Andira inermis|Pueraria montana var. lobata|Astragalus bicuspis|Pterocarpus indicus|Allagopappus viscosissimus|Cistanche salsa|Nicotiana raimondii|Sanguisorba officinalis|Pueraria montana var. thomsonii|Zanthoxylum decaryi|Pleurotus japonicus|Lunularia cruciata|Flemingia macrophylla|Candida albicans|Teucrium betonicum|Sophora flavescens|Ranunculus peltatus|Justicia adhatoda|Homo sapiens|Setosphaeria holmii|Spatholobus suberectus|Desmodium styracifolium|Sophora japonica|Neomeris annulata|Conyza japonica|Coniophora puteana|Cistanches herba|Sisymbrium officinale|Sophora tonkinensis|Trollius europaeus|Lepidosperma ustulatum|Fomes fastuosus|Sojae semen praeparatum|Puerariae flos|Jamesoniella colorata|Streptomyces filamentosus|Trifolium pratense|Lecanora kukunorensis|Semiaquilegiae radix|Tenebrio obscurus|Vitex negundo|Cymodocea nodosa|Lupinus luteus|Aglaia australiensis|Hibiscus schizopetalus|Fructussophorae|Octopus vulgaris|Fumaria micrantha|Teucrium marum|Jacmaia incana|Piptanthus nepalensis|Davidsoniella virescens|Iridis tectori rhizoma|Pachychalina alcaloidifera|Dinophysis fortii|Stachys chrysantha|Atuna racemosa|Cordyceps sinensis|Maximowiczia sonorae|Radix puerariae|Camchaya loloana|Diplacus longiflorus|Styrax agrestis|Platytaenia lasiocarpa|Vepris nobilis|Belamcandae rhizome|Smilax bracteata|Chrysanthemum uliginosum|Eriocephalus punctulatus|Astragalus pycnanthus|Aspergillus albus|Kaempferia rotunda|Sojae semen nigrum|Chionodoxa gigantea|Pulsatilla campanella|Hydrangea serrata|Chamomilla recutita|Dendrobium candidum|Bonamia spectabilis|Sophorae tonkinensis radix et rhizome|Berlinia tomentosa|Garcinia oblongifolia|Amietophrynus regularis|Ophiopogon planiscapus|Eucommiae cortex|Tynanthus panurensis|Amorphinopsis foetida|Linum crispum|Melaleuca viminea|Pterodon emarginatus|Flos genkwa|Syzygium nervosum|Macrocentrus cingulum|Penstemon teucrioides|Xenia blumi|Ipomoea muricata|Streptomyces|Swertia decussata|Berberis floribunda|Rabdosia angustifolia|Tabebuia chrysantha|Trifolium resupinatum|Streptomyces roseolus nrrl b-5424|Inulanthera calva|Usnea canariensis|Panzeria canescens|Iyengaria stellata|Hapalosiphon delicatulus|Crassostrea virginica|Streptomyces globisporus 1912|Convallaria majalis|Crotalus atrox|Bertya dimerostigma|Pseudocinchona pachyceras|Streptomyces ans-127|Scutellaria sieberi|Munchausia speciosa|Rosulabryum capillare|Erycibe expansa|Petroselinum crispum|Piper wightii|Astragalus wiedemannianus|Tephrosia watsoniana|Ophiorrhiza kunstleri|phoma glomerata|Dalbergia odorifera|Licaria brasiliensis|Strongylodesma algoaensis|Salvia miltiorrhiza|Parameria laevigata|Pisolithus tinctorius|soybeans|Achillea pseudopectinata|Asterias rathbuni|Baccharoides anthelmintica|Pinus koraiensis|Dalbergia frutescens|Ginkgo biloba|Ascochyta viciae |
Path=BCL2 pathway|CASP3 pathway|ER alpha pathway|PPARA pathway|PTK activity|Gen=EGFR,Topoisomerase|Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Epidermal growth factor receptor erbB1 - Homo sapiens | UDP-glucuronosyltransferase 1-9 - Homo sapiens | Estrogen receptor beta - Homo sapiens | Cholinesterase - Equus caballus | Protein kinase C alpha - Homo sapiens | Xanthine dehydrogenase - Homo sapiens | Canalicular multispecific organic anion transporter 1 - Homo sapiens | Maltase-glucoamylase - Homo sapiens | Serotonin 2a (5-HT2a) receptor - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Human immunodeficiency virus type 1 integrase - Human immunodeficiency virus 1 | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Microtubule-associated protein tau - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Adenosine A1 receptor - Homo sapiens | Androgen Receptor - Homo sapiens | Sialidase - Clostridium perfringens | Cytochrome P450 19A1 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Pyruvate kinase - Leishmania mexicana | ATPase family AAA domain-containing protein 5 - Homo sapiens | Neuraminidase - Influenza A virus | Dopamine transporter - Homo sapiens | Serotonin 2c (5-HT2c) receptor - Homo sapiens | Estradiol 17-beta-dehydrogenase 2 - Homo sapiens | Multidrug resistance-associated protein 1 - Homo sapiens | Thrombopoietin - Homo sapiens | Prelamin-A/C - Homo sapiens | DNA topoisomerase II alpha - Homo sapiens | Peripheral myelin protein 22 - Homo sapiens | Estradiol 17-beta-dehydrogenase 1 - Homo sapiens | Adenosine A2a receptor - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Cytochrome P450 2C19 - Homo sapiens | Neuraminidase - Influenza A virus (A/Puerto Rico/8/1934(H1N1)) | Aldose reductase - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Quinone oxidoreductase - Mus musculus | LXR-beta - Homo sapiens | Survival motor neuron protein - Homo sapiens | Salivary alpha-amylase - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Cellular tumor antigen p53 - Homo sapiens | Monoamine oxidase A - Homo sapiens | Ornithine decarboxylase - Homo sapiens | P-glycoprotein 1 - Homo sapiens | Peroxisome proliferator-activated receptor gamma - Homo sapiens | Tyrosine-protein kinase YES - Homo sapiens | LXR-alpha - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Aldehyde oxidase - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Geminin - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Adenosine A2a receptor - Rattus norvegicus | Sialidase 2 - Homo sapiens | Tyrosine-protein kinase SYK - Homo sapiens | Ras-related protein Rab-9A - Homo sapiens | Testis-specific androgen-binding protein - Homo sapiens | Cystic fibrosis transmembrane conductance regulator - Rattus norvegicus | Cruzipain - Trypanosoma cruzi | Niemann-Pick C1 protein - Homo sapiens | Aldose reductase - Rattus norvegicus | 78 kDa glucose-regulated protein - Homo sapiens | Adenosine A1 receptor - Rattus norvegicus | Tyrosinase - Mus musculus | Cytochrome P450 1A2 - Homo sapiens | Hypoxia-inducible factor 1 alpha - Homo sapiens | Flap endonuclease 1 - Homo sapiens | M-phase phosphoprotein 8 - Homo sapiens | Sphingomyelin phosphodiesterase - Homo sapiens | Voltage-gated L-type calcium channel alpha-1C subunit - Rattus norvegicus | Tyrosine-protein kinase FYN - Homo sapiens | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Tyrosine-protein kinase BMX - Homo sapiens | ATP-binding cassette sub-family G member 2 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Fatty acid synthase - Plasmodium falciparum | Serine/threonine-protein kinase AKT - Homo sapiens | Serine/threonine-protein kinase PIM1 - Homo sapiens | Tyrosine-protein kinase SRC - Homo sapiens | Thromboxane-A synthase - Homo sapiens | Cyclooxygenase-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Androgen Receptor - Rattus norvegicus | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | DNA polymerase beta - Homo sapiens | Arachidonate 15-lipoxygenase - Oryctolagus cuniculus | Protein kinase Pfmrk - Plasmodium falciparum | Death-associated protein kinase 1 - Homo sapiens |Org= Rattus norvegicus | Callosobruchus chinensis | Tribolium castaneum | Rhyzopertha dominica | Sitophilus oryzae | Achaea janata | Plasmodium falciparum | Human immunodeficiency virus 1 | Hepatitis C virus | Cavia porcellus | Saccharomyces cerevisiae | Escherichia coli | Trypanosoma brucei brucei | Giardia intestinalis | Plasmodium berghei | Leishmania donovani |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Breast Carcinoma|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Gen=Protein Tyrosine Kinase |
3D viewer |
Pubchem |
3KGU 3KGT 1QKM 1X7J |
5280961 |
446-72-0 |
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O |
TZBJGXHYKVUXJN-UHFFFAOYSA-N |
270.24000 |
C15H10O5 |
2.14 |
2 |
3 |
87.00 |
1.0 |
20 |
3 |
Genistein, a phytoestrogen found in soy products, is a highly specific inhibitor of protein tyrosine kinase (PTK) which blocks the mitogenic effect mediated by EGF on NIH-3T3 cells with IC50 of 12?M or by insulin with IC50 of 19 ?M. |
N/A |
| Schisandrin B (Sch B) |
kinase_inhibitor |
Schisandra chinensis|Schisandra fructus|Kadsura coccinea|Tripterygium wilfordii|Glycyrrhiza glabra|Schisandra rubriflora|Nicotiana undulata|Coreopsis nodosa|Streptomyces flocculus|Glycine tomentella|Tripolium pannonicum|Haematococcus lacustris|Senecio paludaffinis|Panax schinseng|Saccharomyces pastori|Hypoxylon rubiginosum|Tachigalia paniculata|Trigonella grandiflora|Pterocladiella tenuis|Uvaria calamistrata|Alstonia muelleriana|Passiflora incarnata|Dacrydium cupressinum|Artemisia cina|Tripterygii radix|Kadsurae coccineae radix et caulis|Schisandra sphenanthera| |
Path=ATM pathway|ATR pathway|ATRIP pathway|PIK3CA pathway|MTOR pathway|BRCA1 pathway|CHEK1 pathway|SMC1A pathway|TP53 pathway|MAPK1 pathway|MAPK3 pathway|Gen=ATM/ATR|Gen=ATM/ATR,P-gp|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus|Multidrug resistance-associated protein 1 - Homo sapiens | DNA-dependent protein kinase - Homo sapiens | Serine-protein kinase ATM - Homo sapiens | Serine-protein kinase ATR - Homo sapiens|Org=Human immunodeficiency virus |
Dis=Breast Cancer|Ductal Adenocarcinoma|Breast Carcinoma|Chronic Myelogenous Leukemia|Head and Neck Cancers|epidermoid carcinoma of the nasopharynx|Hepatobiliary Cancer|Hepatocellular Carcinoma|Kidney Cancer|Embryonic Kidney Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=PI3K/Akt/mTOR |
3D viewer |
Pubchem |
|
108130 |
61281-37-6 |
CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)OC)OC)OCO3 |
|
400.46000 |
C23H28O6 |
5.067 |
6 |
0 |
55.40 |
4.0 |
29 |
4 |
Schisandrin B is the most abundant dibenzocyclooctadiene lignan present in the traditional Chinese medicinal herb Schisandra chinensis (Turcz.) Baill. |
N/A |
| Aloe-emodin |
anti infection |
Aloe spp|Aloe vera|Rheum palmatum|Cassia garrettiana| |
Path=NAT1 pathway|BCL2 pathway|CCNB1 pathway|CDK1 pathway|BAX pathway|CASP3 pathway|CDC25C pathway|CDKN1A pathway|FAS pathway|TP53 pathway|WEE1 pathway|MAPK1 pathway|MAPK3 pathway|CCNA1 pathway|CDK2 pathway|MYC pathway|PCNA pathway|PRKCA pathway|BCL2L1 pathway|BID pathway|N/A|ATF6 pathway|MMP9 pathway|none|MMP2 pathway|AIFM1 pathway|HSPA5 pathway|PARP1 pathway|MAPK14 pathway|MAPK9 pathway|VEGFA pathway|NFKB1 pathway|PTGS2 pathway|CASP8 pathway|CASP9 pathway|FADD pathway|FASLG pathway|TNF pathway|TRADD pathway|TRAF1 pathway|TRAF2 pathway|CYCS pathway|JUN pathway|MAP3K5 pathway|MAPK8 pathway|CASP7 pathway|Gen=Anti-infection |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|Bladder Cancer|Transitional Cell Carcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioma|Neuroblastoma|Glioblastoma|Cervical Cancer|Cervical Adenocarcinoma|Cervical Carcinoma Papilloma |Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Head and Neck Cancers|head and neck squamous cell carcinoma|Nasopharyngeal carcinoma|Oral Squamous Cell Carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Hepatoma|Melanoma|malignant melanoma|Murine Melanoma|Skin cancer|Merkel cell carcinoma |Non-Melanoma Skin Cancers|Fibroblast|Non-small Cell Lung Cancer|large cell carcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Gen=Microbiology |
3D viewer |
Pubchem |
|
10207 |
481-72-1 |
C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)CO)O |
YDQWDHRMZQUTBA-UHFFFAOYSA-N |
270.24000 |
C15H10O5 |
1.719 |
2 |
3 |
94.80 |
1.0 |
20 |
|
Aloe-emodin is an interferon-inducing agent with IC50 of about 1 ?g/mL for JEV and of about 0.33 ?g/mL for EV71. |
NSC 38628, Rhabarberone |
| (-)-Epigallocatechin Gallate |
kinase_inhibitor |
Diospyros kaki|Myrica rubra|Camellia sinensis|Prunus persica|Punica granatum|Ampelopsis japonica|Rhodiola rosea|Eriobotrya japonica|Morus alba|Ardisia japonica|Portulaca oleracea|Paeonia lactiflora| |
Path=ODC1 pathway|ABCG2 pathway|BCL2 pathway|BAX pathway|CASP3 pathway|PARP1 pathway|AR pathway|PSA pathway|N/A|CDK4 pathway|PCNA pathway|Gen=DNA Methyltransferase,HER2,Telomerase,EGFR,Fatty Acid Synthase|15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Arachidonate 15-lipoxygenase - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Histone acetyltransferase GCN5 - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Vitamin D receptor - Homo sapiens | DNA polymerase kappa - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | HERG - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Galactokinase - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis|Beta-secretase 1 - Homo sapiens|Beta-secretase 1 - Homo sapiens | Fucosyltransferase 4 - Homo sapiens | CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase - Homo sapiens | Alpha-(1,3)-fucosyltransferase 7 - Homo sapiens|Hepatocyte growth factor receptor - Homo sapiens | 3-oxoacyl-acyl-carrier protein reductase - Plasmodium falciparum | 6-phosphogluconate dehydrogenase - Homo sapiens | Glucose-6-phosphate 1-dehydrogenase - Saccharomyces cerevisiae S288c | Apoptosis regulator Bcl-2 - Homo sapiens | Heat shock protein HSP 90-beta - Homo sapiens | Enoyl-acyl-carrier protein reductase - Plasmodium falciparum | Fatty acid synthase - Plasmodium falciparum |Org= Rattus norvegicus | Human herpesvirus 1 | Plasmodium falciparum | Human immunodeficiency virus 1 |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Basophilic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|Uterine Neoplasms|leiomyoma|Gen=Others |
3D viewer |
Pubchem |
4E1A 4KQR 4KQK 4KQO |
65064 |
989-51-5 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
|
458.37000 |
C22H18O11 |
3.097 |
3 |
8 |
197.00 |
4.0 |
33 |
4 |
(-)-Epigallocatechin Gallate(EGCG) is the main catechin extraction of green tea that inhibits telomerase and DNA methyltransferase. EGCG blocks the activation of EGF receptors and HER-2 receptors. ECGG inhibits fatty acid synthase and glutamate dehydrogenase activity. |
EGCG |
| Apigenin |
metabolism compound |
Dracocephalum kotschyi|Centaurea arenaria|Ficus formosana|Hypericum perforatum|Marticaria chamomilla| |
Path=CYP1A1 pathway|CYP1B1 pathway|Gen=P450 (e.g. CYP17) |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Fibrosarcoma|Murine Fibrosarcoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Hepatoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Non-Melanoma Skin Cancers|human fetal foreskin fibroblast|Prostate Cancer|prostate Carcinoma|Prostate Adenocarcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Gen=Metabolism |
3D viewer |
Pubchem |
5AUV 5I2H 4HKK 4DER |
5280443 |
520-36-5 |
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
KZNIFHPLKGYRTM-UHFFFAOYSA-N |
270.24000 |
C15H10O5 |
2.41 |
2 |
3 |
87.00 |
1.0 |
20 |
|
Apigenin is a potent P450 inhibitor for CYP2C9 with Ki of 2 ?M. |
NSC 83244, LY 080400 |
| Tanshinone I |
metabolism compound |
Salvia miltiorrhizae |Salvia digitaloides|Uvaria klaineana|Cladonia bellidiflora|Artemisia siversiana|Salvia przewalskii var. mandarinorum|Ritterella rubra|Camptothecium lutescens|Salvia flava|Bothriocline longipes|Salvia przewalskll|Salvia przewalskii|Salvia miltiorrhiza|Dioscorea communis|Amentotaxus yunnanensis|Salvia karabachensis|Metzgeria pubescens|Amaranthus hybr|Angelica decursiva|Euphorbia retusa|Glycyrrhiza triphylla|Notholaena dealbata|Peucedanum praeruptorum|Euphorbia sancta|Prunella vulgaris|Combretum indicum|Hydrolithon reinboldii|Picradeniopsis pringlei|Asphodeline tenuior|Pleurophycus gardneri|Salvia bowleyana|Iris hoogiana|Phallusia fumigata|Salvia yunnanensis|Agathosma thymifolia|Salvia castanea|Radix salviae|Peucedani radix|Veronicastrum sibiricum|Vicia sativa|Salvia bulleyana|Allochromatium minutissimum|Delphinium cyphoplectrum|Salvia trijuga|Salvia prionitis|Glycine falcata|Aquilaria sinensis|Stauntonia obovatifoliola|Decachaeta ovatifolia|Deguelia hatschbachii|Rhabdia lycioides|Salvia sinica|Streptomyces lateritius|Palmaria palmata|Salvia sclarea|Senecio madagascariensis|Viburnum sieboldi |
Path=BIRC5 pathway|AKT1 pathway|PIK3R1 pathway|BAX pathway|CASP3 pathway|PARP1 pathway|BCL2 pathway|ICAM1 pathway|VEGFA pathway|TP53 pathway|CYCS pathway|N/A|CASP9 pathway|CCNE1 pathway|CD44 pathway|COL4A2 pathway|GNAL pathway|HRAS pathway|ICAM4 pathway|IL19 pathway|IL8 pathway|JUND pathway|MAP2K3 pathway|MMP2 pathway|MYC pathway|NFKB1 pathway|NRAS pathway|PDGFA pathway|RAC1 pathway|RIPK1 pathway|SHB pathway|TNFRSF10B pathway|AURKA pathway|CCNB1 pathway|CDK1 pathway|Gen=Phospholipase (e.g. PLA)|Acetylcholinesterase - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | SARS coronavirus 3C-like proteinase - SARS coronavirus | Monoglyceride lipase - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Geminin - Homo sapiens | Carboxylesterase 2 - Homo sapiens | Nonstructural protein 1 - Influenza A virus | Microtubule-associated protein tau - Homo sapiens | Streptokinase A - Streptococcus pyogenes serotype M1 | Chromobox protein homolog 1 - Homo sapiens | Protein-tyrosine phosphatase 1C - Homo sapiens | DNA polymerase beta - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Bloom syndrome protein - Homo sapiens | Protein-tyrosine phosphatase 2C - Homo sapiens | Acyl coenzyme A:cholesterol acyltransferase - Homo sapiens | Serine/threonine-protein kinase PLK1 - Homo sapiens | DNA polymerase eta - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Protease - Human immunodeficiency virus 1 | P-glycoprotein 1 - Homo sapiens | Glycoprotein hormones alpha chain - Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens | DNA polymerase iota - Homo sapiens | Vitamin D receptor - Homo sapiens | Telomerase reverse transcriptase - Homo sapiens | DNA polymerase kappa - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 - Homo sapiens |Org= Plasmodium falciparum | Saccharomyces cerevisiae | Streptococcus sp. 'group A' | Streptococcus |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|multidrug-resistant CEM/ADR5000 leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Breast Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Lung Epithelial Carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=Metabolism |
3D viewer |
Pubchem |
4M0E |
114917 |
568-73-0 |
CC1=CC=CC2=C1C=CC3=C2C(=O)C(=O)C4=C3OC=C4C |
IOUNDPHKKPZPKB-UHFFFAOYSA-N |
276.29000 |
C18H12O3 |
4.084 |
3 |
0 |
47.30 |
0.0 |
21 |
4 |
Tanshinone I, an active principle isolated from Salvia miltiorrhiza (Danshen), is structurally similar to tanshinone IIA and may possess similar cytotoxic effects on tumor cells. |
N/A |
| Emodin |
metabolism compound |
Rhubarb rhabarbarum|Rheum palmatum|Ventilago madraspatana| |
Path=CCL2 pathway|N/A|ICAM1 pathway|IL6 pathway|IL8 pathway|MAPK14 pathway|NFKBIA pathway|TNF pathway|TNFRSF14 pathway|ITGB1 pathway|PTK2 pathway|PXN pathway|VCL pathway|GRB2 pathway|HIF1A pathway|MMP2 pathway|MMP7 pathway|MMP9 pathway|NFKB1 pathway|JUN pathway|PTGS2 pathway|RHOA pathway|VEGFA pathway|BCL2 pathway|BAX pathway|CASP3 pathway|CASP8 pathway|CASP9 pathway|CCNB1 pathway|AIFM1 pathway|CDKN1A pathway|CYCS pathway|DDIT3 pathway|CCNA1 pathway|CDC25C pathway|CDK1 pathway|IGFBP3 pathway|NR1H4 pathway|CDK2 pathway|CDKN1B pathway|CHEK2 pathway|CYP1A1 pathway|CYP1B1 pathway|CYR61 pathway|SERPINE1 pathway|SLC7A1 pathway|SOS1 pathway|MCL1 pathway|IL6ST pathway|MAPK9 pathway|STAT3 pathway|BIRC5 pathway|ATM pathway|TP53 pathway|Gen=Dehydrogenase |
Dis=Acute Myeloid Leukemia|Acute Monocytic Leukemia |Breast Cancer|Ductal Adenocarcinoma|Breast Carcinoma|Central Nervous System Cancers|Neuroblastoma|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Ehrlich Ascites Carcinoma (EAC)|Head and Neck Cancers|Oral Squamous Cell Carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Melanoma|malignant melanoma|Multiple Myeloma|Multiple Myeloma |Plasmacytoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Gen=Metabolism |
3D viewer |
Pubchem |
3BQC 3ED0 3PZH 3CSD |
3220 |
518-82-1 |
CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O |
RHMXXJGYXNZAPX-UHFFFAOYSA-N |
270.24000 |
C15H10O5 |
2.568 |
2 |
3 |
94.80 |
0.0 |
20 |
|
Emodin is a purgative resin, 6-methyl-1,3,8-trihydroxyanthraquinone, from rhubarb, the buckthorn and Japanese Knotweed (Fallopia japonica). |
N/A |
| Kaempferol |
metabolism compound |
Rosmarinus officinalis|Fragaria ananassa|Diospyros lotus|Ginkgo biloba|Punica granatum|Hypericum perforatum| |
Path=PLCG1 pathway|SYK pathway|AR pathway|PSA pathway|N/A|CYP1A1 pathway|CYP1B1 pathway|Gen=Fatty Acid Synthase,Estrogen/progestogen Receptor |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Basophilic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|Oral Squamous Cell Carcinoma|Kidney Cancer|Renal Cell Adenocarcinoma|Melanoma|Amelanotic melanoma|malignant melanoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=Endocrinology & Hormones |
3D viewer |
Pubchem |
4REL 5AUX 5AV2 5AV3 |
5280863 |
520-18-3 |
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
IYRMWMYZSQPJKC-UHFFFAOYSA-N |
286.23000 |
C15H10O6 |
1.872 |
2 |
4 |
107.00 |
1.0 |
21 |
|
Kaempferol, a natural flavonol, functions as an ERR? and ERR? inverse agonist. It inhibits topoisomerase I catalyzed DNA religation and may also inhibit the activity of fatty acid synthase. |
Robigenin |
| Mercaptopurine (6-MP) |
metabolism compound |
Origanum dictamnus|allium porrum|Entada africana|Lantana fucata |
Gen=DNA/RNA Synthesis|Cellular tumor antigen p53 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Transcriptional regulator ERG - Homo sapiens | Androgen Receptor - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | Cyclooxygenase-1 - Homo sapiens | Solute carrier family 22 member 8 - Rattus norvegicus | Lysine-specific demethylase 4D-like - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Survival motor neuron protein - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Lysine-specific demethylase 4A - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Purine nucleoside phosphorylase - Mycobacterium tuberculosis |Org= Mycobacterium avium subsp. paratuberculosis | Plasmodium falciparum | Escherichia coli | Leishmania amazonensis | Bacillus anthracis | Mycobacterium avium |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Non-small Cell Lung Cancer|Bronchioalveolar Carcinoma|Gen=DNA Damage |
3D viewer |
Pubchem |
3BGD 3NS1 |
667490 |
50-44-2 |
C1=NC2=C(N1)C(=S)N=CN2 |
GLVAUDGFNGKCSF-UHFFFAOYSA-N |
152.18000 |
C5H4N4S |
0.367 |
2 |
2 |
85.20 |
0.0 |
10 |
2 |
Mercaptopurine is a widely used antileukemic agent and immunosuppressive drug that inhibits de novo purine synthesis through incorporation of thiopurine methyltransferase metabolites into DNA and RNA. |
N/A |
| Naringenin |
metabolism compound |
Citrus spp|Salix hulteni|Cirsium setosum|Scutellaria barbata|Chrysanthemum x morifolium|Smilax china|Citrus aurantium|Smilax glabra|Citrus maxima|Solanum nigrum|Citrus natsudaidai|Citrus sinensis|Crocus sativus|Sophora japonica|Dalbergia odorifera|Spatholobus suberectus|Dendrobium candidum|Thymus quinquecostatus|Dendrobium chrysanthum|Thymus vulgaris|Dendrobium chrysotoxum|Turpinia arguta|Dendrobium fimbriatum|Typha angustifolia|Dendrobium loddigesii|Typha orientalis|Dendrobium nobile|Vitex negundo|Dendrobium catenatum|Zingiber officinale|Desmodium styracifolium|Erigeron breviscapus|Euonymus alatus|Citrus unshiu|Euphorbia hirta|Prunus persica|Foeniculum vulgare|Helichrysum arenarium|Glycyrrhiza glabra|Prunus mume|Glycyrrhiza inflata|Citrus grandis|Glycyrrhiza uralensis|Prunus davidiana|Hedysarum polybotrys|Prunus yedoensis|Humulus lupulus|Garcinia multiflora|Lysimachia christinae|Fallopia multiflora|Trigonella foenum-graecum|Persicaria orientalis|Camellia sinensis var. assamica (masters) kitamura|Citrus trifoliata|Anacardium occidentale|Prunus serrulata var. spontanea|Alpinia katsumadai|Rhododendron dauricum|Breea segeta |
Path=OGG1 pathway|Cytochrome P450 3A4 - Homo sapiens | Voltage-gated L-type calcium channel alpha-1C subunit - Rattus norvegicus | Beta-glucocerebrosidase - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Geminin - Homo sapiens | Ferritin light chain - Equus caballus | Luciferin 4-monooxygenase - Photinus pyralis | Arachidonate 12-lipoxygenase - Homo sapiens | Arachidonate 5-lipoxygenase - Homo sapiens | DNA polymerase iota - Homo sapiens | 6-phospho-1-fructokinase - Trypanosoma brucei |Org= Plasmodium falciparum |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|mouse stomach cancer|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|Prostate Adenocarcinoma|Soft Tissue Sarcoma|Mouse sarcoma|Gen=Metabolism |
3D viewer |
Pubchem |
4A87 2BRT 2UXU 1EYQ |
439246 |
480-41-1 |
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O |
FTVWIRXFELQLPI-UHFFFAOYSA-N |
272.25000 |
C15H12O5 |
2.373 |
2 |
3 |
87.00 |
1.0 |
20 |
3 |
Naringenin is a natural predominant flavanone derived from plant food, which is considered to have a bioactive effect on human health as antioxidant, free radical scavenger, anti-inflammatory, carbohydrate metabolism promoter, and immune system modulator. |
NSC 34875, S-Dihydrogenistein, NSC 11855, Salipurol |
| (-)-Epigallocatechin Gallate |
metabolism compound |
Diospyros kaki|Myrica rubra|Camellia sinensis|Prunus persica|Punica granatum|Ampelopsis japonica|Rhodiola rosea|Eriobotrya japonica|Morus alba|Ardisia japonica|Portulaca oleracea|Paeonia lactiflora| |
Path=ODC1 pathway|ABCG2 pathway|BCL2 pathway|BAX pathway|CASP3 pathway|PARP1 pathway|AR pathway|PSA pathway|N/A|CDK4 pathway|PCNA pathway|Gen=DNA Methyltransferase,HER2,Telomerase,EGFR,Fatty Acid Synthase|15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Arachidonate 15-lipoxygenase - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Histone acetyltransferase GCN5 - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Vitamin D receptor - Homo sapiens | DNA polymerase kappa - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | HERG - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Galactokinase - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis|Beta-secretase 1 - Homo sapiens|Beta-secretase 1 - Homo sapiens | Fucosyltransferase 4 - Homo sapiens | CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase - Homo sapiens | Alpha-(1,3)-fucosyltransferase 7 - Homo sapiens|Hepatocyte growth factor receptor - Homo sapiens | 3-oxoacyl-acyl-carrier protein reductase - Plasmodium falciparum | 6-phosphogluconate dehydrogenase - Homo sapiens | Glucose-6-phosphate 1-dehydrogenase - Saccharomyces cerevisiae S288c | Apoptosis regulator Bcl-2 - Homo sapiens | Heat shock protein HSP 90-beta - Homo sapiens | Enoyl-acyl-carrier protein reductase - Plasmodium falciparum | Fatty acid synthase - Plasmodium falciparum |Org= Rattus norvegicus | Human herpesvirus 1 | Plasmodium falciparum | Human immunodeficiency virus 1 |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Basophilic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|Uterine Neoplasms|leiomyoma|Gen=DNA Damage |
3D viewer |
Pubchem |
4E1A 4KQR 4KQK 4KQO |
65064 |
989-51-5 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
|
458.37000 |
C22H18O11 |
3.097 |
3 |
8 |
197.00 |
4.0 |
33 |
4 |
(-)-Epigallocatechin Gallate(EGCG) is the main catechin extraction of green tea that inhibits telomerase and DNA methyltransferase. EGCG blocks the activation of EGF receptors and HER-2 receptors. ECGG inhibits fatty acid synthase and glutamate dehydrogenase activity. |
EGCG |
| Chlorogenic Acid |
metabolism compound |
Plantago major|Hedeoma drummondii|Euonymus alatus |Lonicera japonica|Flos lonicerae|Lonicera hypoglauca| |
Path=MMP9 pathway|MAPK14 pathway|MAPK8 pathway|Gen=Others|Lysine-specific demethylase 4D-like - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Gen=Others |
3D viewer |
Pubchem |
5GMU |
1794427 |
327-97-9 |
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
PDRYGDFJGDJWPN-UHFFFAOYSA-N |
354.31000 |
C16H18O9 |
-0.34 |
3 |
4 |
165.00 |
5.0 |
25 |
2 |
Chlorogenic acid is a hydroxycinnamic acid and a member of a family of naturally occurring organic compounds. |
NSC 407296, Heriguard |
| Luteolin |
metabolism compound |
Plantago major|Dracocephalum kotschyi|Rosmarinus officinalis|Tithonia diversifolia|Vitex rotundifolia|Olea europaea|Eupatorium odoratum|Plantago lagopus|Terminalia arjuna|Vitex trifolia|Perilla leaf|Chrysanthemum morifolium|Carex folliculata|Lonicera japonica|Cyperus alopecuroides|Punica granatum| |
Path=BCL2L1 pathway|BIRC5 pathway|CDK1 pathway|CDK2 pathway|CDK4 pathway|CDKN1A pathway|CDKN1B pathway|MCL1 pathway|CASP3 pathway|CASP8 pathway|CASP9 pathway|MAPK14 pathway|MAPK8 pathway|AIFM1 pathway|APEX2 pathway|NUDT1 pathway|OGG1 pathway|Gen=PDE |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Bladder Cancer|Transitional Cell Carcinoma|Breast Cancer|Breast Carcinoma|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Fibrosarcoma|Murine Fibrosarcoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Hepatoma|Kidney Cancer|kidney cancer|Renal Cell Adenocarcinoma|Melanoma|malignant melanoma|mouse tumor model|DMBA/TPA induced skin carcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|large cell carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Prostate Cancer|Prostate Adenocarcinoma|Small Cell Lung Cancer|Small Cell Lung Carcinoma|Soft Tissue Sarcoma|Mouse sarcoma|Gen=Metabolism |
3D viewer |
Pubchem |
5AUU 4HKN 4QXV 3SZ1 |
5280445 |
491-70-3 |
C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O |
|
286.24000 |
C15H10O6 |
2.168 |
2 |
4 |
107.00 |
1.0 |
21 |
|
Luteolin is a flavonoid found in Terminalia chebula, which is a non-selective phisphodiesterase PDE inhibitor for PDE1-5 with Ki of 15.0 &muM, 6.4 &muM, 13.9 &muM, 11.1 &muM and 9.5 &muM, respectively. Phase 2. |
N/A |
| Naringin |
metabolism compound |
Citrus spp|Ralstonia solanacearum|Hedysarum polybotrys|Fructus aurantii|Securidaca inappendiculata|Coccus fagi|Beyeria brevifolia|Fusarium gibbosum|Morus alba|Tripterygium wilfordii|Dendrosenecio kilimanjari|Lactarius scrobiculatus|Haplopappus chrysanthemifolius|Citrus trifoliata|Helianthus annuus|Simira eliezeriana|Cladonia evansii|Prunus laurocerasus|Portulaca oleracea|Citrus maxima|Pseudopterogorgia kallos|Bursaria spinosa|Stenostomum lucidum|Prunus mume|Helianthus maximiliani|Chromolaena odorata|Ficus formosana|Isodon kameba|Rheum coreanum|Ageratum conyzoides|Kaempferia pulchra|Artemisia monogyna|Senecio squalidus|Rheum officinale|Citrus nobilis|Cytisus austriacus|Centaurea spinosa|Elaeocarpus sylvestris|Rheum palmatum|Citrus tankan|Quercus aegilops|Citri reticulatae pericarpium viride|Prosopis glandulosa|Rheum tanguticum|Pericarpium citri reticulatae viride|Alligator mississippiensis|Citrus aurantium|Vitex madiensis|Rhododendron dauricum|Herba selaginellae doederleinii|Pyrosoma giganteum|Glycyrrhiza|Araujia sericifera|Scutellaria barbata|Helianthus canescens|Citri grandis exocarpium|Clematis terniflora var. mandshurica|Sophora japonica|Canarii fructus|Taxodium mucronatum|Citrus japonica var. margarita|Citrus reticulata|Pheidole pallidula|Exocarpium citri rubrum|Hedysari radix|Streptomyces althioticus|Citri exocarpium rubrum|Pterocarpus grandiflorus|Helianthus niveus|Radix moghaniae philippinensis|Exocarpium citri grandis|Aurantii fructus immaturus|Sesbania punicea|Aurantii fructus|Chloranthus tianmushanensis|Blumea glomerata|Astragalus membranaceus|Anaxagorea clavata|Pericarpium citri reticulatae|Astragalus mongholicus|Salvia officinalis|Citrus japonica|Clonostachys rosea|Pteris prolifera|Zaluzania augusta|Citrus grandis|Arnica nevadensis|Citrus medica|Pericarpium citri|Chromolaena pulchella|Citrus natsudaidai|Fortunella japonica|Dipterocarpus alatus|Cymbopogon citratus|Exocarpium citri|Epaltes gariepina|Citrus sinensis|Fortunella margarita|Agnorhiza bolanderi|Aplidium constellatum|Citrus unshiu|Citrus wilsonii|Poncirus trifoliata|Gardenia fosbergii|Bassia butyracea|Crocus sativus|Aceriphyllum rossii|Ilex affinis|Echinops amplexicaulis|Drynaria fortunei|Rhizobium phaseoli|Aria pallescens|Ganoderma lucidum|Seriphidium cinum|Drosera peltata|Ganoderma sinense| |
Gen=P450 (e.g. CYP17)|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus | UDP-glucuronosyltransferase 1-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Glycogen synthase kinase-3 beta - Homo sapiens | Heparanase - Homo sapiens | Ubiquitin-conjugating enzyme E2 N - Homo sapiens | Geminin - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Bcl-2-related protein A1 - Mus musculus | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | Solute carrier organic anion transporter family member 1A5 - Rattus norvegicus | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Cytochrome P450 19A1 - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Protein-tyrosine phosphatase 1B - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | TAR DNA-binding protein 43 - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Transcriptional regulator ERG - Homo sapiens |Org= Salmonella typhimurium| |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Gen=Metabolism |
3D viewer |
Pubchem |
|
442428 |
10236-47-2 |
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O |
|
580.53000 |
C27H32O14 |
-0.415 |
6 |
8 |
225.00 |
6.0 |
41 |
5 |
Naringin is a flavanone glycoside, which exerts a variety of pharmacological effects such as antioxidant activity, blood lipid lowering, anticancer activity, and inhibition of cytochrome P450 enzymes. |
Naringoside |
| Tanshinone IIA |
metabolism compound |
Salvia miltiorrhizae |Salvia digitaloides|Allochromatium minutissimum|Ritterella rubra|Deguelia hatschbachii|Euphorbia sancta|Glycyrrhiza triphylla|Euphorbia retusa|Stauntonia obovatifoliola|Asphodeline tenuior|Viburnum sieboldi|Notholaena dealbata|Agathosma thymifolia|Camptothecium lutescens|Senecio madagascariensis|Artemisia siversiana|Metzgeria pubescens|Salvia miltiorrhiza|Phallusia fumigata|Salvia przewalskii|Rhabdia lycioides|Streptomyces lateritius|Radix salviae|Dioscorea communis|Palmaria palmata|Delphinium cyphoplectrum|Peucedani radix|Cladonia bellidiflora|Angelica decursiva|Glycine falcata|Peucedanum praeruptorum|Picradeniopsis pringlei|Combretum indicum|Decachaeta ovatifolia|Pleurophycus gardneri|Hydrolithon reinboldii|Bothriocline longipes|Salvia karabachensis|Salvia sclarea|Vicia sativa|Uvaria klaineana|Iris hoogiana|Amentotaxus yunnanensis|Amaranthus hybr |
Path=BCL2 pathway|BIRC5 pathway|MYC pathway|RB1 pathway|SPI1 pathway|BAX pathway|CASP3 pathway|PARP1 pathway|N/A|CDK2 pathway|CDKN1B pathway|NPM1 pathway|ERBB2 pathway|TP53 pathway|BCL2L1 pathway|CCND1 pathway|STAT3 pathway|MCL1 pathway|CYCS pathway|ESR1 pathway|ESR2 pathway|PCNA pathway|MMP2 pathway|MMP9 pathway|PLAU pathway|RELA pathway|TIMP1 pathway|TIMP2 pathway|CASP8 pathway|IL8 pathway|JUND pathway|NFKB1 pathway|AKT1 pathway|AURKA pathway|CASP9 pathway|MTOR pathway|PIK3CA pathway|CDK1 pathway|CCNB1 pathway|RPS6K pathway|Gen=Lipase|Cholinesterase - Equus caballus | Androgen Receptor - Homo sapiens | Apoptotic protease-activating factor 1 - Homo sapiens | Regulator of G-protein signaling 4 - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Aldose reductase - Rattus norvegicus | Papain - Carica papaya | Acetylcholinesterase - Electrophorus electricus | Acetylcholinesterase - Homo sapiens | Prelamin-A/C - Homo sapiens | Nonstructural protein 1 - Influenza A virus | Aldehyde dehydrogenase 1A1 - Homo sapiens | SARS coronavirus 3C-like proteinase - SARS coronavirus | Geminin - Homo sapiens | Aldose reductase - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Protein-tyrosine phosphatase 1C - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Carboxylesterase 2 - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Protein-tyrosine phosphatase 2C - Homo sapiens | Serine/threonine-protein kinase PLK1 - Homo sapiens | Ferritin light chain - Equus caballus | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens | Histone acetyltransferase GCN5 - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | Lysine-specific demethylase 4A - Homo sapiens | Monoglyceride lipase - Homo sapiens | Telomerase reverse transcriptase - Homo sapiens | DNA polymerase kappa - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | Protease - Human immunodeficiency virus 1 | Acyl coenzyme A:cholesterol acyltransferase - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | Rap guanine nucleotide exchange factor 3 - Homo sapiens | Acyl-CoA synthase - Mycobacterium tuberculosis | Vitamin D receptor - Homo sapiens |Org= Plasmodium falciparum |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|multidrug-resistant CEM/ADR5001 leukemia|Acute Myeloid Leukemia|Acute Monocytic Leukemia |Acute Promyelocytic Leukemia|Bone Cancer|Osteosarcoma|Breast Cancer|Ductal Adenocarcinoma|Breast Adenocarcinoma|Central Nervous System Cancers|Glioma|Cervical Cancer|Cervical Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Kidney Cancer|kidney cancer|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Lung Epithelial Carcinoma|Ovarian Cancer|Murine Ovarian Cancer|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=Metabolism |
3D viewer |
Pubchem |
4M0E |
164676 |
568-72-9 |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
|
294.34000 |
C19H18O3 |
4.66 |
3 |
0 |
47.30 |
0.0 |
22 |
4 |
Tanshinone IIA(Tanshinone B) is the most abundant diterpene quinone in Danshen, Salviae miltiorrhizae Radix, a widely prescribed traditional herbal medicine that is used to treat cardiovascular and inflammatory diseases A natural monoacylglycerol lipase inhibitor. |
Tanshinone B |
| Isoliquiritigenin |
metabolism compound |
Platymiscium floribundum|Herba sedi sarmentosi|Allium ascalonicum|Glycyrrhiza inflata|Rohdea chinensis|Cicer arietinum|Dalbergia stevensonii|Glycyrrhiza yunnanensis|Apis mellifera ligustica|Onobrychis viciifolia|Tephrosia toxicaria|Panicum miliaceum|Dalbergia sericea|Sophora tomentosa|Glycyrrhiza glabra|Caulis spatholobi|Robinia pseudoacacia|Glycyrrhiza uralensis|Dracaena draco|Muntingia calabura|Dalbergiae odoriferae lignum|Spatholobus suberectus|Boehmeriae rhizoma et radix|Hedysarum multijugum maxim|Polygonati rhizoma|Hedysari radix|Caulis millettiae|Lignum dalbergiae odoriferae rosewood|Wikstroemia viridiflora| |
Gen=Others|Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Cytochrome P450 2C19 - Homo sapiens | Pyruvate kinase - Leishmania mexicana | Pyruvate kinase isozymes M1/M2 - Homo sapiens | Cytochrome P450 2D6 - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Cytochrome P450 3A4 - Homo sapiens | Nuclear factor NF-kappa-B p105 subunit - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Cytochrome P450 1A2 - Homo sapiens| |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|ileocecal colorectal adenocarcinoma |Melanoma|Murine Melanoma|Gen=Others |
3D viewer |
Pubchem |
5YX4 1FP1 4RLU |
638278 |
961-29-5 |
C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O |
|
256.25000 |
C15H12O4 |
2.975 |
1 |
3 |
77.80 |
3.0 |
19 |
2 |
Isoliquiritigenin, an anti-tumor flavonoid from the root of Glycyrrhiza glabra, inhibits aldose reductase with an IC50 of 320 nM. |
N/A |
| Iso-Steviol |
metabolism compound |
Stevia rebaudiana |
Gen=Others |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
99514 |
27975-19-5 |
CC12CCC3C4(CCCC(C4CCC3(C1)CC2=O)(C)C(=O)O)C |
KFVUFODCZDRVSS-UHFFFAOYSA-N |
318.45000 |
C20H30O3 |
3.924 |
2 |
0 |
54.40 |
1.0 |
23 |
|
Isosteviol (ISV) is mainly obtained by acid hydrolysis of stevioside, the sweet food additive extracted from the plant Stevia Rebaudiana Bertoni (Bertoni). It possesses various biological activities including anti-hyperglycemic, anti-hypertensive, anti-tumor, anti-inflammatory, and antioxidant effects. |
N/A |
| Xanthohumol |
metabolism compound |
Humulus lupulus|Abelia chinensis|Hoffmannia strigillosa|Artemisia dentata|Vellozia nanuzae|Faramea salicifolia|Dendronephthya griffini|Piper regnellii|Buddleja cordata|Prorocentrum micans|Gymnocalycium schickendantzii|Rapanea lancifolia|Theonella conica|Lythrum salicaria|Syncarpia hillii|Centaurea maculosa|Latrunculia magnifica|Rhinella marina|Asimina parviflora|Helichrysum tenuifolium|Morella rubra|Lemaireocereus griseus|Ephedra sinica|Syzygium polycephaloides|Erysimum leptophyllum|Pteridium esculentum|Myxococcus stipitatus|Onopordum acanthium|Atalantia racemosa|Sophora flavescens|Lemaireocereus longispinus|Baccharis neglecta|Millettia erythrocalyx|Atraphaxis spinosa|Xenoacremonium recifei|Aplophyllum alberti-regelii|Negombata magnifica|Cordia leucocephala|Conus mus|Dolabella californica|Scorzonera pseudodivaricata|Buphane fischeri|Crambe tatarica|Simarouba glauca|Monsonia senegalensis|Shigella dysenteriae|Embelia schimperi|Alkanna cappadocica|Clerodendrum bungei|Diospyros eriantha|Plathymenia reticulata|Chondrodendron tomentosum|Lycogala epidendrum|Epilobium hirsutum|Haplophyllum obtusifolium|Ononis vaginalis|Hypericum styphelioides|Eria anomala|Tricholoma columbetta|Pteris semipinnata|Euphorbia nematocypha|Embelia parviflora|Pancratium sickenbergeri|Juniperus rigida var. conferta|Fritillaria ningguoensis|Erythrina melanacantha|Vernonia fagifolia|Esenbeckia leiocarpa|Siphonaria capensis|Planchonia grandis|Diospyros assimilis|Salvia hispanica|Mycobacterium leprae |
Path=IL6 pathway|ALPL pathway|PSEN2 pathway|VWF pathway|MKI67 pathway|BAX pathway|BCL2 pathway|BCL2L1 pathway|PARP1 pathway|CASP3 pathway|CASP7 pathway|CASP8 pathway|CASP9 pathway|Gen=COX|Protein kinase C alpha - Homo sapiens | Arachidonate 5-lipoxygenase - Homo sapiens | Prostaglandin E synthase - Homo sapiens | Lymphocyte antigen 96 - Homo sapiens | 3-phosphoinositide dependent protein kinase-1 - Homo sapiens |Org= Human immunodeficiency virus 1 | Plasmodium falciparum |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Bone Cancer|Osteosarcoma|Breast Cancer|Breast Adenocarcinoma|Ductal Adenocarcinoma|Central Nervous System Cancers|Neruoblastoma|Neuroblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Soft Tissue Sarcoma|Sarcoma|Gen=Metabolism |
3D viewer |
Pubchem |
|
639665 |
6754-58-1 |
CC(=CCC1=C(C=C(C(=C1O)C(=O)C=CC2=CC=C(C=C2)O)OC)O)C |
|
354.40000 |
C21H22O5 |
4.816 |
2 |
3 |
87.00 |
6.0 |
26 |
2 |
Xanthohumol, a prenylated chalcone from hop, inhibits COX-1 and COX-2 activity and shows chemopreventive effects. Phase 1. |
N/A |
| Tanshinone I |
anticancer |
Salvia miltiorrhizae |Salvia digitaloides|Uvaria klaineana|Cladonia bellidiflora|Artemisia siversiana|Salvia przewalskii var. mandarinorum|Ritterella rubra|Camptothecium lutescens|Salvia flava|Bothriocline longipes|Salvia przewalskll|Salvia przewalskii|Salvia miltiorrhiza|Dioscorea communis|Amentotaxus yunnanensis|Salvia karabachensis|Metzgeria pubescens|Amaranthus hybr|Angelica decursiva|Euphorbia retusa|Glycyrrhiza triphylla|Notholaena dealbata|Peucedanum praeruptorum|Euphorbia sancta|Prunella vulgaris|Combretum indicum|Hydrolithon reinboldii|Picradeniopsis pringlei|Asphodeline tenuior|Pleurophycus gardneri|Salvia bowleyana|Iris hoogiana|Phallusia fumigata|Salvia yunnanensis|Agathosma thymifolia|Salvia castanea|Radix salviae|Peucedani radix|Veronicastrum sibiricum|Vicia sativa|Salvia bulleyana|Allochromatium minutissimum|Delphinium cyphoplectrum|Salvia trijuga|Salvia prionitis|Glycine falcata|Aquilaria sinensis|Stauntonia obovatifoliola|Decachaeta ovatifolia|Deguelia hatschbachii|Rhabdia lycioides|Salvia sinica|Streptomyces lateritius|Palmaria palmata|Salvia sclarea|Senecio madagascariensis|Viburnum sieboldi |
Path=BIRC5 pathway|AKT1 pathway|PIK3R1 pathway|BAX pathway|CASP3 pathway|PARP1 pathway|BCL2 pathway|ICAM1 pathway|VEGFA pathway|TP53 pathway|CYCS pathway|N/A|CASP9 pathway|CCNE1 pathway|CD44 pathway|COL4A2 pathway|GNAL pathway|HRAS pathway|ICAM4 pathway|IL19 pathway|IL8 pathway|JUND pathway|MAP2K3 pathway|MMP2 pathway|MYC pathway|NFKB1 pathway|NRAS pathway|PDGFA pathway|RAC1 pathway|RIPK1 pathway|SHB pathway|TNFRSF10B pathway|AURKA pathway|CCNB1 pathway|CDK1 pathway|Gen=Phospholipase (e.g. PLA)|Acetylcholinesterase - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | SARS coronavirus 3C-like proteinase - SARS coronavirus | Monoglyceride lipase - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Geminin - Homo sapiens | Carboxylesterase 2 - Homo sapiens | Nonstructural protein 1 - Influenza A virus | Microtubule-associated protein tau - Homo sapiens | Streptokinase A - Streptococcus pyogenes serotype M1 | Chromobox protein homolog 1 - Homo sapiens | Protein-tyrosine phosphatase 1C - Homo sapiens | DNA polymerase beta - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Bloom syndrome protein - Homo sapiens | Protein-tyrosine phosphatase 2C - Homo sapiens | Acyl coenzyme A:cholesterol acyltransferase - Homo sapiens | Serine/threonine-protein kinase PLK1 - Homo sapiens | DNA polymerase eta - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Protease - Human immunodeficiency virus 1 | P-glycoprotein 1 - Homo sapiens | Glycoprotein hormones alpha chain - Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens | DNA polymerase iota - Homo sapiens | Vitamin D receptor - Homo sapiens | Telomerase reverse transcriptase - Homo sapiens | DNA polymerase kappa - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 - Homo sapiens |Org= Plasmodium falciparum | Saccharomyces cerevisiae | Streptococcus sp. 'group A' | Streptococcus |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|multidrug-resistant CEM/ADR5000 leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Breast Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Lung Epithelial Carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=Metabolism |
3D viewer |
Pubchem |
4M0E |
114917 |
568-73-0 |
CC1=CC=CC2=C1C=CC3=C2C(=O)C(=O)C4=C3OC=C4C |
IOUNDPHKKPZPKB-UHFFFAOYSA-N |
276.29000 |
C18H12O3 |
4.084 |
3 |
0 |
47.30 |
0.0 |
21 |
4 |
Tanshinone I, an active principle isolated from Salvia miltiorrhiza (Danshen), is structurally similar to tanshinone IIA and may possess similar cytotoxic effects on tumor cells. |
N/A |
| Cytisine |
natural product |
Sophora flavescens|Calonectria nivalis|Stephania dinklagei|Melilotus messanensis|Piper dilatatum|Scolopia chinensis|Nicotiana raimondii|Chionodoxa gigantea|Solanum tequilense|Chaenorhinum minus|Calonectria kyotensis|Fabaceae|Laburnum anagyroides|Streptomyces filamentosus|Candida albicans|Pleurostylia opposita|Carya pecan|Tephrosia watsoniana|Dendrobium cariniferum|Inulanthera calva|Arum maximum|Amaranthus spinosus|Heliotropium hirsutissimum|Sophora griffithii|Cirsium eriophorum|Lathyrus cicer|Leucospermum reflexum|Crassostrea virginica|Trollius europaeus|Chamomilla recutita|Wisteria sinensis| |
Gen=AChR|Cholinesterase - Equus caballus | Neuronal acetylcholine receptor protein alpha-4 subunit - Rattus norvegicus | Neuronal acetylcholine receptor protein alpha-7 subunit - Rattus norvegicus | Acetylcholine receptor protein delta chain - Torpedo californica | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Nicotinic acetylcholine receptor alpha 5 subunit - Musca domestica | Lysine-specific demethylase 4D-like - Homo sapiens | Neuronal acetylcholine receptor protein alpha-7 subunit - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | Beta-glucocerebrosidase - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Inositol monophosphatase 1 - Rattus norvegicus | Cytochrome P450 3A4 - Homo sapiens | Acetylcholine receptor protein alpha chain - Torpedo californica | Microtubule-associated protein tau - Homo sapiens | Prelamin-A/C - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens |Org= Rattus norvegicus|Chromobox protein homolog 1 - Homo sapiens | Geminin - Homo sapiens | Rap guanine nucleotide exchange factor 4 - Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens |Org= Plasmodium falciparum| |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Esophageal and Esophagogastric Junction Cancers|Esophageal squamous cell carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=Neuronal Signaling |
3D viewer |
Pubchem |
4BQT 5SYO |
10235 |
485-35-8 |
C1C2CNCC1C3=CC=CC(=O)N3C2 |
ANJTVLIZGCUXLD-UHFFFAOYSA |
190.24000 |
C11H14N2O |
-0.338 |
1 |
1 |
32.30 |
0.0 |
14 |
3 |
Cytisine is a nicotinic acetylcholine receptor agonist. |
Baphitoxine,Sophorine |
| Bergapten |
natural product |
Aegle marmelos|Heracleum lanatum| |
Gen=DNA/RNA Synthesis |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Melanoma|Murine Melanoma|Gen=DNA Damage |
3D viewer |
Pubchem |
|
2355 |
484-20-8 |
COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 |
BGEBZHIAGXMEMV-UHFFFAOYSA |
216.19000 |
C12H8O4 |
2.187 |
4 |
0 |
48.70 |
1.0 |
16 |
|
Bergapten is a psoralen that can be photoactivated and is capable of crossing-linking DNA, covalently modifying proteins and lipids, and consequently inhibiting cell replication. |
N/A |
| Artemisinin |
natural product |
Artemisia annua| |
Path=MMP2 pathway|CDK2 pathway|CDK4 pathway|RB1 pathway|SP1 pathway|Gen=Anti-infection|Org=Plasmodium falciparum 3D7 | Plasmodium falciparum | Plasmodium berghei | Plasmodium falciparum (isolate K1 / Thailand) | Plasmodium falciparum D6|Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | TAR DNA-binding protein 43 - Homo sapiens | Nonstructural protein 1 - Influenza A virus | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis |Org= Plasmodium falciparum|Histidine-rich protein - Plasmodium falciparum | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Cytochrome P450 2B6 - Homo sapiens | Geminin - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Cytochrome P450 1A2 - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Cholinesterase - Equus caballus | Ferritin light chain - Equus caballus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens |Org= Plasmodium berghei | Plasmodium falciparum 3D7 | Ipomoea grandifolia | Toxoplasma gondii | Plasmodium falciparum (isolate FcB1 / Columbia) | Leishmania donovani | Trypanosoma cruzi | Epilachna | Issatchenkia orientalis | Plasmodium yoelii nigeriensis | Candida albicans | Trypanosoma brucei rhodesiense | Gallus gallus | Filobasidiella neoformans | Urochloa decumbens | Plasmodium vinckei petteri | Balamuthia mandrillaris | Hepatitis B virus | Giardia intestinalis | Plasmodium falciparum NF54 | Fusarium oxysporum|Androgen Receptor - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Huntingtin - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Melanoma|malignant melanoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=Microbiology |
3D viewer |
Pubchem |
|
68827 |
63968-64-9 |
CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)C |
BLUAFEHZUWYNDE-UHFFFAOYSA |
282.33000 |
C15H22O5 |
1.998 |
5 |
0 |
54.00 |
0.0 |
20 |
3 |
Artemisinin is a sesquiterpene endoperoxide which is a potent antimalarial agent. |
Qinghaosu,Artemisinine |
| Linalool |
natural product |
Plantago asiatica|Satureja hortensis|Satureja montana| |
Gen=NMDAR |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Gen=Neuronal Signaling |
3D viewer |
Pubchem |
|
6549 |
78-70-6 |
CC(=CCCC(C)(C=C)O)C |
CDOSHBSSFJOMGT-UHFFFAOYSA |
154.25000 |
C10H18O |
2.735 |
0 |
0 |
20.20 |
4.0 |
11 |
|
Linalool, a monoterpene compound commonly found as major component of essential oils of several aromatic species, is a competitive antagonist of NMDA receptors. |
Phantol |
| Myricitrin |
natural product |
Myrica rubra|Austrocedrus chilensis|Eria pubescens|Lespedeza bicolor|Polygonum aviculare|Psoroma pallidum|Sorbaria sorbifolia|Marine actinobacterium|Persicaria orientalis|Piptocarpha oblonga|Oophaga pumilio|Toxicodendron succedaneum|Inula salicifolia|Acanthospermum glabratum|Catunaregam spinosa|Heliotropium ternatum|Solidago serotina|Capnoides sempervirens|Alyxia reinwardtii|Angelica lucida|Machilus macrantha|Senecio carthamoides|Aconitum heterophylloides|Strophanthus kombe|Haloxylon recurvum|Ajuga genevensis|Morus alba|Rhododendron ellipticum|Xylaria cubensis|Burkholderia gladioli|Sargassum muticum|Penicillium herquei|Dermocybe canaria|Aplysia parvula|Hippocratea excelsa|Curvularia coicis|Araliopsis soyauxii|Rhododendron luteum|Microtropis fokienensis|Limonium sinense|Bitis gabonica|Artemisia klotzchiana|Thymus vulgaris|Astragalus cibarius|Serratula inermis|Oscillochloris trichoides|Vitellaria paradoxa|Ranunculus fluitans|Celaenodendron mexicanum|Castanea vesca|Bunias orientalis|Sesbania bispinosa|Streptomyces thermoviolaceus|Trididemnum cyclops|Ephedra equisetina|Cyrtomium falcatum|Nymphaea odorata|Boronia pinnata|Chromodoris lochi|Rhododendron farrerae|Macrothele gigas|Amyris texana|Streptomyces sparsogenes|Cladosiphon decipiens|Annona ambotay|Goniothalamus amuyon|Myrocarpus frondosus|Trichosanthes rosthornii|Daphniphyllum paxianum|Hymenoxys insignis|Elymus repens|Adina sessilifolia|Alangium grisolleoides|Litsea triflora|Ilex lepta|Vernonia menthaefolia|Annella reticulata|Carica pennata|Cotula cinerea|Astraeus pteridis|Myrica cerifera|Limonium gmelinii|Globularia davisiana|Brevibacterium linens|Hylotelephium telephium|Aspergillus panamensis|Veratrum dahuricum|Zephyranthes sulphurea|Tarenaya spinosa|Centaurea linifolia|Micarea austroternaria|Cryptotaenia japonica|Cryptocarya alba|Cleistanthus indochinensis|Nerine bowdenii|Uvaria griffithii|Cneoridium dumosum|Tridachia crispata|Pseudodistoma arborescens|Ardisiae japonicae herba|Arum alpinum|Pongamiopsis pervilleana|Veronica arvensis|Platycladi cacumen|Pinguicula vulgaris|Zanthoxylum fagara|Glochidion sphaerogynum|Polygoni avicularis herba|Holomelina lamae|Mimusops caffra|Gardenia turgida|Euphorbia hirta|byrsonima coccolobifolia|Cephalanthus occidentalis|Portulaca oleracea|Polygonum orientale| |
Gen=PKC|DNA polymerase beta - Homo sapiens | Muscleblind-like protein 1 - Homo sapiens | Zinc finger protein mex-5 - Caenorhabditis elegans | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Cytoplasmic zinc-finger protein - Caenorhabditis elegans | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Microtubule-associated protein tau - Homo sapiens | DNA polymerase kappa - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | Flap endonuclease 1 - Homo sapiens | Mannose-6-phosphate isomerase - Homo sapiens | Lysosomal alpha-glucosidase - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Ataxin-2 - Homo sapiens | Serine/threonine-protein kinase PLK1 - Homo sapiens | DNA polymerase eta - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | DNA polymerase iota - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Rap guanine nucleotide exchange factor 3 - Homo sapiens | Protein disulfide-isomerase - Homo sapiens |Org= Plasmodium falciparum|Arginase - Leishmania amazonensis|Cholinesterase - Equus caballus | Acetylcholinesterase - Electrophorus electricus |Org= Heliothis virescens| Glutaminase kidney isoform, mitochondrial - Homo sapiens | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 - Homo sapiens | Lysine-specific demethylase 4A - Homo sapiens | Lethal(3)malignant brain tumor-like protein 1 - Homo sapiens | |
Dis=Acute Myeloid Leukemia|Basophilic Leukemia|Gen=TGF-beta/Smad |
3D viewer |
Pubchem |
|
5281673 |
17912-87-7 |
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O |
DCYOADKBABEMIQ-UHFFFAOYSA |
464.38000 |
C21H20O12 |
0.347 |
4 |
8 |
207.00 |
3.0 |
33 |
4 |
Myricitrin, a flavonoid compound isolated from the root bark of Myrica cerifera, which exerts antinociceptive effects. |
Myricitrine |
| Eupatilin |
natural product |
Aemisia princeps|Streptomyces althioticus|Aceriphyllum rossii|Lactarius scrobiculatus|Eupatorium semiserratum|Salvia officinalis|Vitex madiensis|Chrysanthemum indicum|Bassia butyracea|Citrus reticulata|Anaxagorea clavata|Helianthus mollis|Glaucium vitellinum|Artemisia rubripes|Taxodium mucronatum|Arnica nevadensis|Citrus reticulate|Rhizobium phaseoli|Quercus aegilops|Senecio squalidus|Aria pallescens|Pteris prolifera|Chloranthus tianmushanensis|Ficus formosana|Folium artemisiae argyi|Bellis perennis|Kaempferia pulchra|Chrysanthemi flos|Pandanus amaryllifolius|Bursaria spinosa|Schizonepetae spica|Chromolaena odorata|Pyrosoma giganteum|Artemisia argyi|Odixia angusta|Cladonia evansii|Thymus godayanus|Teucrium lancifolium|Stenostomum lucidum|Artemisia montana|Coccus fagi|Pseudopterogorgia kallos|Artemisia princeps|Wallemia sebi|Stachys glutinosa|Pterocarpus grandiflorus|Prosopis glandulosa|Chrysanthemum x morifolium|Werneria nubigena|Drosera peltata|Artemisia monogyna|Dioscorea japonica|Ilex affinis|Hypericum henryi|Securidaca inappendiculata|Dipterocarpus alatus|Chromolaena pulchella|Fusarium gibbosum|Beyeria brevifolia|Echinops amplexicaulis|Artemisia anomala|Gardenia fosbergii|Othonna coronopifolia|Alligator mississippiensis|Isodon kameba|Sium lineare|Dendrosenecio kilimanjari|Araujia sericifera|Seriphidium cinum|Taxus chienii|Clonostachys rosea|Epaltes gariepina|Pheidole pallidula|Eupatorium japonicum|Agnorhiza bolanderi|Salvia mellifera|Simira eliezeriana|Actinopyga lecanora|Polysiphonia urceolata|Prunus laurocerasus|Sesbania punicea |
Path=CASP3 pathway|CASP7 pathway|CASP9 pathway|CYCS pathway|CCND1 pathway|CDKN1A pathway|JUN pathway|JUND pathway|MAPK14 pathway|TFF1 pathway|Gen=Others|Cannabinoid CB1 receptor - Homo sapiens | Cannabinoid CB2 receptor - Homo sapiens | Delta opioid receptor - Mus musculus | Delta opioid receptor - Homo sapiens | Mu opioid receptor - Homo sapiens | Mu opioid receptor - Mus musculus | Kappa opioid receptor - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|mammary gland fibrocystic disease |Gastrointestinal Cancer|Gastric carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
5273755 |
22368-21-4 |
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O)OC)O)OC |
DRRWBCNQOKKKOL-UHFFFAOYSA |
344.32000 |
C18H16O7 |
2.603 |
5 |
2 |
94.40 |
4.0 |
25 |
3 |
Eupatilin, a major flavonoid from Artemisia plants, possesses various beneficial biological effects including anti-inflammation, anti-tumor, anti-cancer, anti-allergy, and anti-oxidation activity. |
NSC 122413 |
| Naringenin |
natural product |
Citrus spp|Salix hulteni|Cirsium setosum|Scutellaria barbata|Chrysanthemum x morifolium|Smilax china|Citrus aurantium|Smilax glabra|Citrus maxima|Solanum nigrum|Citrus natsudaidai|Citrus sinensis|Crocus sativus|Sophora japonica|Dalbergia odorifera|Spatholobus suberectus|Dendrobium candidum|Thymus quinquecostatus|Dendrobium chrysanthum|Thymus vulgaris|Dendrobium chrysotoxum|Turpinia arguta|Dendrobium fimbriatum|Typha angustifolia|Dendrobium loddigesii|Typha orientalis|Dendrobium nobile|Vitex negundo|Dendrobium catenatum|Zingiber officinale|Desmodium styracifolium|Erigeron breviscapus|Euonymus alatus|Citrus unshiu|Euphorbia hirta|Prunus persica|Foeniculum vulgare|Helichrysum arenarium|Glycyrrhiza glabra|Prunus mume|Glycyrrhiza inflata|Citrus grandis|Glycyrrhiza uralensis|Prunus davidiana|Hedysarum polybotrys|Prunus yedoensis|Humulus lupulus|Garcinia multiflora|Lysimachia christinae|Fallopia multiflora|Trigonella foenum-graecum|Persicaria orientalis|Camellia sinensis var. assamica (masters) kitamura|Citrus trifoliata|Anacardium occidentale|Prunus serrulata var. spontanea|Alpinia katsumadai|Rhododendron dauricum|Breea segeta |
Path=OGG1 pathway|Cytochrome P450 3A4 - Homo sapiens | Voltage-gated L-type calcium channel alpha-1C subunit - Rattus norvegicus | Beta-glucocerebrosidase - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Geminin - Homo sapiens | Ferritin light chain - Equus caballus | Luciferin 4-monooxygenase - Photinus pyralis | Arachidonate 12-lipoxygenase - Homo sapiens | Arachidonate 5-lipoxygenase - Homo sapiens | DNA polymerase iota - Homo sapiens | 6-phospho-1-fructokinase - Trypanosoma brucei |Org= Plasmodium falciparum |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|mouse stomach cancer|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|Prostate Adenocarcinoma|Soft Tissue Sarcoma|Mouse sarcoma|Gen=Metabolism |
3D viewer |
Pubchem |
4A87 2BRT 2UXU 1EYQ |
439246 |
480-41-1 |
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O |
FTVWIRXFELQLPI-UHFFFAOYSA |
272.25000 |
C15H12O5 |
2.373 |
2 |
3 |
87.00 |
1.0 |
20 |
3 |
Naringenin is a natural predominant flavanone derived from plant food, which is considered to have a bioactive effect on human health as antioxidant, free radical scavenger, anti-inflammatory, carbohydrate metabolism promoter, and immune system modulator. |
NSC 34875, S-Dihydrogenistein, NSC 11855, Salipurol |
| Caffeic Acid |
natural product |
Plantago major|Hedeoma drummondii|Inonotus obliquus|Euonymus alatus |Punica granatum| |
Path=NFKB6 pathway|MMP2 pathway|MMP9 pathway|NFKB1 pathway|Gen=Others |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|Gen=Others |
3D viewer |
Pubchem |
1XV5 6C7Q 6BJ6 6BJ7 |
689043 |
331-39-5 |
C1=CC(=C(C=C1C=CC(=O)O)O)O |
GCTFYNLEUZVUTG-UHFFFAOYSA |
180.16000 |
C9H8O4 |
1.443 |
1 |
2 |
77.80 |
2.0 |
13 |
|
Caffeic acid is a hydroxycinnamic acid, a naturally occurring organic compound. |
N/A |
| Alpha-Mangostin |
natural product |
Garcinia mangostana|Garcinia cowa|Mangifera indica|Garcinia morella|Aplidium tabascum|Scleronephthya pallida|Serpocaulon triseriale|Actinopyga agassizi|Nicotiana sylvestris|Aster bellidiastrum|Arcyria denudata|Streptomyces alboniger|Wibelia divaricata|Senecio vellereus|Leptogorgia sarmentosa|Poria selecta|Lonicera hypoleuca|Dolomiaea souliei|Myelochroa aurulenta|Trametes cinnabarina|Garcinia fusca|Chromatium okenii|Eucalyptus camaldulensis|Pentadesma butyracea|Illicium difengpi|Garcinia staudtii|Garcinia dulcis|Cratoxylum cochinchinense|Halimodendron halodendron |
Gen=Others|Arachidonate 12-lipoxygenase - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Sialidase - Clostridium perfringens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | Nuclear factor NF-kappa-B p65 subunit - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Nuclear factor NF-kappa-B p105 subunit - Homo sapiens | Cytochrome P450 19A1 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Tumor necrosis factor receptor superfamily member 10B - Homo sapiens | Cruzipain - Trypanosoma cruzi | Neutral sphingomyelinase - Homo sapiens | Sphingomyelin phosphodiesterase - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | Fatty acid synthase - Homo sapiens |Org= Staphylococcus aureus | Fusarium oxysporum f. sp. vasinfectum | Pseudomonas aeruginosa | Mycobacterium tuberculosis | Alternaria tenuis | Plasmodium falciparum | Plasmodium falciparum (isolate FcB1 / Columbia) | Drechslera | Bacillus cereus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Prostate Cancer|Prostate Adenocarcinoma|Gen=Others |
3D viewer |
Pubchem |
4Y9B 4Y9C |
5281650 |
6147-11-1 |
CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C(=C(C=C3O2)O)OC)CC=C(C)C)O)C |
GNRIZKKCNOBBMO-UHFFFAOYSA |
410.46000 |
C24H26O6 |
5.935 |
3 |
3 |
96.20 |
5.0 |
30 |
3 |
Alpha-mangostin is the main xanthone purified from mangosteen and has health promoting benefits including anti-bacterial, anti-inflammatory, anti-oxidant, anti-cancer and cardioprotective activities. |
N/A |
| Myricetin |
natural product |
Myrica rubra|Diospyros lotus|Hypericum perforatum| |
Path=CYP1A1 pathway|CYP1B1 pathway|Gen=MEK |
Dis=Acute Myeloid Leukemia|Basophilic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Kidney Cancer|Renal Cell Adenocarcinoma|Melanoma|Amelanotic melanoma|malignant melanoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Prostate Cancer|prostate Carcinoma|Prostate Adenocarcinoma|Gen=MAPK |
3D viewer |
Pubchem |
3HBF 1E90 2IOD 4GQR |
5281672 |
529-44-2 |
C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O |
IKMDFBPHZNJCSN-UHFFFAOYSA |
318.24000 |
C15H10O8 |
1.388 |
2 |
6 |
148.00 |
1.0 |
23 |
|
Myricetin, a natural flavonoid with antioxidant and anti tumor properties, is a novel inhibitor of MEK1 activity and transformation of JB6 P+ mouse epidermal cells. It also inhibits PI3K? with Kd of 0.17 ?M. |
Cannabiscetin |
| Tanshinone I |
natural product |
Salvia miltiorrhizae |Salvia digitaloides|Uvaria klaineana|Cladonia bellidiflora|Artemisia siversiana|Salvia przewalskii var. mandarinorum|Ritterella rubra|Camptothecium lutescens|Salvia flava|Bothriocline longipes|Salvia przewalskll|Salvia przewalskii|Salvia miltiorrhiza|Dioscorea communis|Amentotaxus yunnanensis|Salvia karabachensis|Metzgeria pubescens|Amaranthus hybr|Angelica decursiva|Euphorbia retusa|Glycyrrhiza triphylla|Notholaena dealbata|Peucedanum praeruptorum|Euphorbia sancta|Prunella vulgaris|Combretum indicum|Hydrolithon reinboldii|Picradeniopsis pringlei|Asphodeline tenuior|Pleurophycus gardneri|Salvia bowleyana|Iris hoogiana|Phallusia fumigata|Salvia yunnanensis|Agathosma thymifolia|Salvia castanea|Radix salviae|Peucedani radix|Veronicastrum sibiricum|Vicia sativa|Salvia bulleyana|Allochromatium minutissimum|Delphinium cyphoplectrum|Salvia trijuga|Salvia prionitis|Glycine falcata|Aquilaria sinensis|Stauntonia obovatifoliola|Decachaeta ovatifolia|Deguelia hatschbachii|Rhabdia lycioides|Salvia sinica|Streptomyces lateritius|Palmaria palmata|Salvia sclarea|Senecio madagascariensis|Viburnum sieboldi |
Path=BIRC5 pathway|AKT1 pathway|PIK3R1 pathway|BAX pathway|CASP3 pathway|PARP1 pathway|BCL2 pathway|ICAM1 pathway|VEGFA pathway|TP53 pathway|CYCS pathway|N/A|CASP9 pathway|CCNE1 pathway|CD44 pathway|COL4A2 pathway|GNAL pathway|HRAS pathway|ICAM4 pathway|IL19 pathway|IL8 pathway|JUND pathway|MAP2K3 pathway|MMP2 pathway|MYC pathway|NFKB1 pathway|NRAS pathway|PDGFA pathway|RAC1 pathway|RIPK1 pathway|SHB pathway|TNFRSF10B pathway|AURKA pathway|CCNB1 pathway|CDK1 pathway|Gen=Phospholipase (e.g. PLA)|Acetylcholinesterase - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | SARS coronavirus 3C-like proteinase - SARS coronavirus | Monoglyceride lipase - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Geminin - Homo sapiens | Carboxylesterase 2 - Homo sapiens | Nonstructural protein 1 - Influenza A virus | Microtubule-associated protein tau - Homo sapiens | Streptokinase A - Streptococcus pyogenes serotype M1 | Chromobox protein homolog 1 - Homo sapiens | Protein-tyrosine phosphatase 1C - Homo sapiens | DNA polymerase beta - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Bloom syndrome protein - Homo sapiens | Protein-tyrosine phosphatase 2C - Homo sapiens | Acyl coenzyme A:cholesterol acyltransferase - Homo sapiens | Serine/threonine-protein kinase PLK1 - Homo sapiens | DNA polymerase eta - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Protease - Human immunodeficiency virus 1 | P-glycoprotein 1 - Homo sapiens | Glycoprotein hormones alpha chain - Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens | DNA polymerase iota - Homo sapiens | Vitamin D receptor - Homo sapiens | Telomerase reverse transcriptase - Homo sapiens | DNA polymerase kappa - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 - Homo sapiens |Org= Plasmodium falciparum | Saccharomyces cerevisiae | Streptococcus sp. 'group A' | Streptococcus |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|multidrug-resistant CEM/ADR5000 leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Breast Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Lung Epithelial Carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=Metabolism |
3D viewer |
Pubchem |
4M0E |
114917 |
568-73-0 |
CC1=CC=CC2=C1C=CC3=C2C(=O)C(=O)C4=C3OC=C4C |
IOUNDPHKKPZPKB-UHFFFAOYSA |
276.29000 |
C18H12O3 |
4.084 |
3 |
0 |
47.30 |
0.0 |
21 |
4 |
Tanshinone I, an active principle isolated from Salvia miltiorrhiza (Danshen), is structurally similar to tanshinone IIA and may possess similar cytotoxic effects on tumor cells. |
N/A |
| Palmitic acid |
natural product |
Aegle marmelos |
Gen=Others |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Gen=Others |
3D viewer |
Pubchem |
5F2T 5VRH 4TKJ 2HNX |
985 |
57-10-3 |
CCCCCCCCCCCCCCCC(=O)O |
IPCSVZSSVZVIGE-UHFFFAOYSA |
256.42000 |
C16H32O2 |
6.393 |
1 |
0 |
37.30 |
14.0 |
18 |
|
Palmitic acid is the most common saturated fatty acid found in animals, plants and microorganisms with anti-tumor activity. |
hexadecanoic acid, Cetylic acid |
| Indole-3-carbinol |
natural product |
Brassica spp|Leptosphaeria maculans|Haliclona oculata |
Path=BCL2 pathway|BCL2A1 pathway|BIRC2 pathway|BIRC3 pathway|BIRC5 pathway|CCND1 pathway|CFLAR pathway|MMP9 pathway|NFKB1 pathway|NFKBIA pathway|PTGS2 pathway|TRAF1 pathway|XIAP pathway|CDC25A pathway|CDK4 pathway|CDK6 pathway|CDKN1A pathway|ESR1 pathway|GATA3 pathway|RB1 pathway|N/A|CXCR4 pathway|CDKN1B pathway|AHR pathway|IFNGR1 pathway|CDK2 pathway|STAT1 pathway|BAX pathway|CCND2 pathway|JUND pathway|RELA pathway|CASP3 pathway|CASP8 pathway|CASP9 pathway|PARP1 pathway|BAK1 pathway|PSA pathway|AR pathway|BAD pathway|BCL2L1 pathway|EGFR pathway|AKT1 pathway|PI3CA parhway|CDKN2A pathway|TP53 pathway|Gen=NF-?B|Acetylcholinesterase - Electrophorus electricus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Androgen Receptor - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 - Homo sapiens | Anthrax lethal factor - Bacillus anthracis | Geminin - Homo sapiens | Aryl sulfotransferase - Rattus norvegicus | Heat shock protein beta-1 - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | Nuclear factor NF-kappa-B p105 subunit - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | Interleukin-8 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Cholinesterase - Equus caballus | Nuclear receptor ROR-gamma - Homo sapiens |Org= Plasmodium falciparum | Leptosphaeria maculans |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Head and Neck Cancers|Oral Squamous Cell Carcinoma|Multiple Myeloma|Multiple Myeloma |Non-Hodgkin's Lymphomas|Adult T-cell leukemia/lymphoma|Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=NF-?B |
3D viewer |
Pubchem |
|
3712 |
700-06-1 |
C1=CC=C2C(=C1)C(=CN2)CO |
IVYPNXXAYMYVSP-UHFFFAOYSA |
147.18000 |
C9H9NO |
1.518 |
0 |
2 |
36.00 |
1.0 |
11 |
2 |
Indole-3-carbinol is produced by the breakdown of the glucosinolate glucobrassicin, which can be found at relatively high levels in cruciferous vegetables. Indole-3-carbinol suppresses NF-?B and I?B? kinase activation. |
N/A |
| Kaempferol |
natural product |
Rosmarinus officinalis|Fragaria ananassa|Diospyros lotus|Ginkgo biloba|Punica granatum|Hypericum perforatum| |
Path=PLCG1 pathway|SYK pathway|AR pathway|PSA pathway|N/A|CYP1A1 pathway|CYP1B1 pathway|Gen=Fatty Acid Synthase,Estrogen/progestogen Receptor |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Basophilic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|Oral Squamous Cell Carcinoma|Kidney Cancer|Renal Cell Adenocarcinoma|Melanoma|Amelanotic melanoma|malignant melanoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=Endocrinology & Hormones |
3D viewer |
Pubchem |
4REL 5AUX 5AV2 5AV3 |
5280863 |
520-18-3 |
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
IYRMWMYZSQPJKC-UHFFFAOYSA |
286.23000 |
C15H10O6 |
1.872 |
2 |
4 |
107.00 |
1.0 |
21 |
|
Kaempferol, a natural flavonol, functions as an ERR? and ERR? inverse agonist. It inhibits topoisomerase I catalyzed DNA religation and may also inhibit the activity of fatty acid synthase. |
Robigenin |
| Abscisic Acid (Dormin? |
natural product |
Axinella polypoides|Citrus aurantium|Citrus natsudaidai|Citrus sinensis|Ecklonia kurome|Hordeum vulgare|Isatis tinctoria|Saccharina japonica|Lonicera japonica|Citrus trifoliata|Prunus davidiana|Myelobia smerintha| |
Gen=Others|Nuclear factor erythroid 2-related factor 2 - Homo sapiens |Org= Plasmodium falciparum|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus | Cytochrome P450 monooxygenase - Arabidopsis thaliana | Thyroid stimulating hormone receptor - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Androgen Receptor - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Interleukin-8 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens |Org= Triticum aestivum|Org=Lepidium sativum | Lactuca sativa | Arabidopsis thaliana | Oryza sativa | Spinacia oleracea |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|Acute Myeloid Leukemia|Gen=Others |
3D viewer |
Pubchem |
3WG8 |
5280896 |
21293-29-8 |
CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C |
JLIDBLDQVAYHNE-WEYXYWBQSA |
264.32000 |
C15H20O4 |
2.161 |
2 |
0 |
74.60 |
3.0 |
19 |
1 |
Abscisic Acid is a plant hormone, which is involved in many plant developmental processes, modulates ion homeostasis and metabolism, and inhibits germination and seedling growth. |
Abscisin II |
| Syringic acid |
natural product |
Inonotus obliquus |
Path=NFKB5 pathway |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|NFKB1Gen=Others |
3D viewer |
Pubchem |
|
10742 |
530-57-4 |
COC1=CC(=CC(=C1O)OC)C(=O)O |
JMSVCTWVEWCHDZ-UHFFFAOYSA |
198.17000 |
C9H10O5 |
1.184 |
3 |
1 |
76.00 |
3.0 |
14 |
|
Syringic acid (SYRA) is a potential antioxidant used in traditional Chinese medicine and is an emerging nutraceutical. It has potential anti-angiogenic, anti-glycating, anti-hyperglycaemic, neuroprotective, and memory-enhancing properties. |
3,5-dimethyl ether Gallic Acid, 3,5-dimethoxy-4-hydroxy Benzoic Acid, NSC 2129, SYRA |
| Iso-Steviol |
natural product |
Stevia rebaudiana |
Gen=Others |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
99514 |
27975-19-5 |
CC12CCC3C4(CCCC(C4CCC3(C1)CC2=O)(C)C(=O)O)C |
KFVUFODCZDRVSS-UHFFFAOYSA |
318.45000 |
C20H30O3 |
3.924 |
2 |
0 |
54.40 |
1.0 |
23 |
|
Isosteviol (ISV) is mainly obtained by acid hydrolysis of stevioside, the sweet food additive extracted from the plant Stevia Rebaudiana Bertoni (Bertoni). It possesses various biological activities including anti-hyperglycemic, anti-hypertensive, anti-tumor, anti-inflammatory, and antioxidant effects. |
N/A |
| Cinchonine(LA40221) |
natural product |
Cinchona spp |
Gen=Others|Glucose transporter - Homo sapiens | Glucose transporter - Leishmania mexicana | Hexose transporter 1 - Plasmodium falciparum | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Geminin - Homo sapiens | Cytochrome P450 2D6 - Homo sapiens | Reverse transcriptase - Human immunodeficiency virus 1 | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus |Org= Plasmodium falciparum | Trypanosoma brucei brucei | Plasmodium falciparum 3D7 | Plasmodium falciparum (isolate K1 / Thailand)|Cholinesterase - Equus caballus | Glucose transporter - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | Leishmania mexicana mexicana |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Chronic Myelogenous Leukemia|Gen=Angiogenesis |
3D viewer |
Pubchem |
|
90454 |
118-10-5 |
C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O |
KMPWYEUPVWOPIM-QAMTZSDWSA |
294.40000 |
C19H22N2O |
2.75 |
1 |
1 |
36.40 |
3.0 |
22 |
2 |
Cinchonine is an alkaloid and a stereoisomer and pseudo-enantiomer of cinchonidine. |
N/A |
| Cinchonidine |
natural product |
Cinchona spp |
Gen=Anti-infection|Gen=Others|Glucose transporter - Homo sapiens | Glucose transporter - Leishmania mexicana | Hexose transporter 1 - Plasmodium falciparum | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Geminin - Homo sapiens | Cytochrome P450 2D6 - Homo sapiens | Reverse transcriptase - Human immunodeficiency virus 1 | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus |Org= Plasmodium falciparum | Trypanosoma brucei brucei | Plasmodium falciparum 3D7 | Plasmodium falciparum (isolate K1 / Thailand)|Cholinesterase - Equus caballus | Glucose transporter - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | Leishmania mexicana mexicana |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Chronic Myelogenous Leukemia|Gen=Microbiology |
3D viewer |
Pubchem |
|
101744 |
485-71-2 |
C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O |
KMPWYEUPVWOPIM-UHFFFAOYSA |
294.39000 |
C19H22N2O |
2.75 |
1 |
1 |
36.40 |
3.0 |
22 |
2 |
Cinchonidine is an alkaloid used in asymmetric synthesis in organic chemistry. |
N/A |
| Ferulic Acid |
natural product |
Plantago major|Angelica sinensis|Pygeum africanum|Varronia linnaei|Woodwardia prolifera|Acacia linarioides|Chondria californica|Planchonia grandis|Pecten irradians|Robinia pseudoacacia|Millettia thonningii|Stenolobium stans|Gaertnera morindoides|Siphonaria capensis|Libanothamnus occultus|Asimina parviflora|Halichondria melanadocia|Asparagus africanus|Clerodendrum bungei|Calea subcordata|Lucilia caesar|Chondrodendron tomentosum|Baphia bancoensis|Ericerus pela|Hypericum androsaemum|Mucor globosus|Embelia schimperi|Cyathocline lyrata|Malassezia furfur|Pteridium esculentum|Protea roupelliae|Ligularia anoleuca|Epilobium hirsutum|Solanum aculeatissimum|Abelia chinensis|Orobanche speciosa|Aquilegia viridiflora|Brombya platynema|Senecio ruwenzoriensis|Annulohypoxylon cohaerens|Centaurea maculosa|Phenax angustifolius|Daphne feddei|Rhinella marina|Cerbera odollam|Myrciaria dubia|Sasa paniculata|Veronica virginica|Piptadenia colubrina|Veronica orientalis|Astragalus kabadianus|Monsonia senegalensis|Tripterospermum lanceolatum|Cryptosporium pinicola|Trichilia havanensis|Planococcus citri|Neocosmospora tenuicristata|Parmelia tinctina|Gardenia lucida|Potentilla candicans|Streptomyces flaveus|Diospyros morrisiana|Helichrysum tenuifolium|Vernonia fagifolia|Shigella dysenteriae|Lycogala epidendrum|Dendronephthya griffini|Veronica liwanensis|Atraphaxis spinosa|Kiggelaria africana|Embelia parviflora|Ponera metallica|Briareum violacea|Conus mus|Gymnocalycium schickendantzii|Cordia leucocephala|Ephedra sinica|Camellia sinensis|Vachellia leucophloea|Jaborosa leucotricha|Pyrobaculum organotrophum|Sedum forsteri|Thorectandra excavatus|Hedychium coronarium|Piper regnellii|Myxococcus stipitatus|Populus angustifolia|Haplophyllum obtusifolium|Celastrus dispermus|Rhamnus cathartica|Pancratium sickenbergeri|Perymenium jelskii|Syzygium polycephaloides|Simarouba glauca|Nothofagus dombeyi|Aplophyllum alberti-regelii|Eucalyptus occidentalis|Diospyros assimilis|Gyrostroma missouriense|Faramea salicifolia|Viburnum betulifolium|Exochomus quadripustulatus|Onopordum acanthium|Spongionella gracilis|Penstemon newberryi|Coelogyne flavida|Idea leuconoe|Ophelia neglecta|Ochna obtusata|Rhamnus formosana|Bacillus amyloliquefaciens|Oxylobus oaxacanus|Plathymenia reticulata|Guettarda noumeana|Lemaireocereus longispinus|Prunus mahaleb|Erythrina melanacantha|Guadua angustifolia|Thermococcus kodakarensis|Lippia adoensis|Lupinus luteus|Senna didymobotrya|Ekebergia senegalensis|Balsamorhiza hookeri|Latrunculia magnifica|Morella rubra|Solanum chilense|Chalciporus piperatus|Kadsura interior|Morinda morindoides|Baccharis neglecta|Streptomyces pseudovenezuelae|Euphorbia nematocypha|Ilyonectria destructans|Asterococcus muratae|Gnetum pendulum|Lasiosiphon kraussianus|Spiraea formosana|Dolabella californica|Eria anomala|Hypericum styphelioides|Strychnos wallichiana|Siphonochilus aethiopicus|Vellozia nanuzae|Theonella conica|Ceramaster patagonicus|Cichorium endivia|Pajanelia multijuga|Salix acutifolia|Clinopodium gracile|Cochlospermum planchoni|Hexagonia speciosa|Strychnos elaeocarpa|Erysimum leptophyllum|Sophora flavescens|Esenbeckia leiocarpa|Tricholoma columbetta|Trachyrhamphus serratus|Daphne arisanensis|Flourensia ilicifolia|Lythrum salicaria|Homalium longifolium|Xanthium strumarium |
Path=MAPK14 pathway|CCND1 pathway|ERBB2 pathway|ESR1 pathway|AKT1 pathway|MAPK3 pathway|PI3CA parhway|TFF1 pathway|AR pathway|Gen=Others |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Breast Adenocarcinoma|Chronic Myelogenous Leukemia|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|Gen=Others |
3D viewer |
Pubchem |
4S13 |
445858 |
1135-24-6 |
COC1=C(C=CC(=C1)C=CC(=O)O)O |
KSEBMYQBYZTDHS-HWKANZROSA |
194.19000 |
C10H10O4 |
1.669 |
2 |
1 |
66.80 |
3.0 |
14 |
1 |
Ferulic Acid is a hydroxycinnamic acid and a type of organic compound found in the Ferula assafoetida L. or Ligusticum chuanxiong. |
Fumalic Acid |
| Apigenin |
natural product |
Dracocephalum kotschyi|Centaurea arenaria|Ficus formosana|Hypericum perforatum|Marticaria chamomilla| |
Path=CYP1A1 pathway|CYP1B1 pathway|Gen=P450 (e.g. CYP17) |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Fibrosarcoma|Murine Fibrosarcoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Hepatoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Non-Melanoma Skin Cancers|human fetal foreskin fibroblast|Prostate Cancer|prostate Carcinoma|Prostate Adenocarcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Gen=Metabolism |
3D viewer |
Pubchem |
5AUV 5I2H 4HKK 4DER |
5280443 |
520-36-5 |
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
KZNIFHPLKGYRTM-UHFFFAOYSA |
270.24000 |
C15H10O5 |
2.41 |
2 |
3 |
87.00 |
1.0 |
20 |
|
Apigenin is a potent P450 inhibitor for CYP2C9 with Ki of 2 ?M. |
NSC 83244, LY 080400 |
| Thiocolchicoside |
natural product |
Gloriosa superba |
Path=BCL2 pathway|BCL2L1 pathway|BIRC2 pathway|BIRC3 pathway|CFLAR pathway|MCL1 pathway|NFKB1 pathway|NFKBIA pathway|RELA pathway|XIAP pathway|Gen=GABA Receptor |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|Oral Squamous Cell Carcinoma|Kidney Cancer|Embryonic Kidney Carcinoma|Multiple Myeloma|Multiple Myeloma |Plasmacytoma|Gen=Neuronal Signaling |
3D viewer |
Pubchem |
|
9915886 |
602-41-5 |
CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC4C(C(C(C(O4)CO)O)O)O |
LEQAKWQJCITZNK-UHFFFAOYSA |
563.62000 |
C27H33NO10S |
0.446 |
6 |
5 |
189.00 |
7.0 |
39 |
|
Thiocolchicoside is a natural occuring glycoside originated from the flower seeds of superba gloriosa with anti-inflammatory and analgesic properties as well as pronounced convulsant activity. It is also an antagonist of GABAA receptor. |
Thiocolchicine 2-glucoside analog, Coltramyl |
| Gallic acid |
natural product |
Terminalia arjuna|Punica granatum|Diospyros lotus|Phyllanthus emblica|Rhynchosia volubilis|Caesalpinia ferrea| |
Path=CASP3 pathway|BCL2 pathway|BAX pathway|Gen=ROS |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Kidney Cancer|kidney cancer|Renal Cell Adenocarcinoma|Melanoma|malignant melanoma|Murine Melanoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Non-small Cell Lung Cancer|large cell carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
1G8J 1G8K 4V4C 4V4D |
370 |
149-91-7 |
C1=C(C=C(C(=C1O)O)O)C(=O)O |
LNTHITQWFMADLM-UHFFFAOYSA |
170.12000 |
C7H6O5 |
0.733 |
1 |
3 |
98.00 |
1.0 |
12 |
|
Gallic acid, known as powerful antioxidants, is an organic acid found in a variety of foods and herbs. |
3,4,5-Trihydroxybenzoic acid, Gallate, Benzoic acid |
| Resveratrol |
natural product |
Vitis vinifera|Polygonum cuspidatum|Veratrum grandiflorum|Eucalyptus wandoo|Sinularia depressa|Daemonorops draco|Semen phaseoli|Picea glehnii|Rumex maritimus|Dryopteris crassirhizoma|Pleuropterus ciliinervis|Veratrum nigrum var. ussuriense|Gnetum latifolium|Hedysarum connatum|Humulus lupulus|Pseudoalteromonas luteoviolacea|Cassia dentata|Trifolium dubium|Sphaerella laricina|Hypericum laricifolium|Morus alba|Testa arachidis hypogaeae|Artemisia assoana|Adansonia grandidieri|Oroxylum indicum|Caragana tibetica|Aconitum seravschanicum|Dumortiera hirsuta|Ampelopsis glandulosa var. brevipedunculata|Rheum wittrocki|Senecio subdentatus|Streptomyces avermitilis|Fallopia multiflora|Arachis hypogaea|Drechslera avenae|Swertia franchetiana|Bassia muricata|Rheum coreanum|Cudrania javanensis|Sabina sargentii|Adiantum lunulatum|Rheum officinale|Nasutitermes ephratae|Bishovia boliviensis|Rheum palmatum|Vitis spp.|Acacia adunca|Chaenomeles sinensis|Rheum tanguticum|Veratrum album|Vatica rassak|Onobrychis arenaria|Caragana aurantiaca|Rubia cordifolia|Annona cornifolia|Eucalyptus melliodora|Smilax china|Broussonetia papyrifera|Vitis spp|Peltostigma guatemalense|Marrubium anisodon|Lavandula vera|Smilax glabra|Rauvolfia vomitoria|Biancaea decapetala|Ampelopsis brevipedunculata|Wikstroemia retusa|Cotyledon secunda|Vigna angularis|Enceliopsis argophylla|Caesalpinia decapetala|Pastinaca sativa|Calostephane divaricata|Vigna umbellata|Anacystis montana|Polygonum multiflorum|Naucleopsis ternstroemiiflora|Salvia syriaca|Vigna umbeuata|Laurencia spectabilis|Dictyopteris australis|Cytophaga hutchinsoni|Asterospicularia laurae|Scutellaria amoena|Eria mollis|Solanum laxum|Artocarpus dadah|Lepisorus ussuriensis|Amathia pinnata|Gnetum parvifolium|Alstonia spathulata|Gadus morhua callarias|Miliusa velutina|Phoebe pittieri|Aphyllocladus denticulatus|Eriocheir sinensis|Epichloe festucae var. lolii|Blastochloris viridis|Astragalus sempervirens|Dendriopoterium menendezii|Physalis alkekengi|Psychotria stachyoides|Olibanun|Premna odorata|Goniothalamus malayanus|Rivularia firma|Boehmeriae rhizoma et radix|Pinus sibirica|Justicia secunda|Aster sedifolius|Leathesia nana|Polygoni cuspidati rhizoma et radix|Ipomoea digitata|Neobalanocarpus heimii|Isaria fumosorosea|Zanthoxylum tetraspermum|Ampelopsis japonica|Aconitum tasiromontanum|Viguiera incana|Dodonaea viscosa|Smilax menispermoidea|Flacourtia jangomas|Dysoxylum cumingianum|Belamcandae rhizome|Radix cudraniae|Teucrium yemense|Helipterum roseum|Mori fructus|Lysimachia mauritiana|Rattus rattus|Iris domestica|Caulocystis cephalornithos|Vaccinium oxycoccos|Bulla striata| |
Gen=Autophagy|NAD(P)H dehydrogenase [quinone] 1 - Mus musculus | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Survival motor neuron protein - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Cytochrome P450 1A2 - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Cytochrome P450 2C19 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Pyruvate kinase - Leishmania mexicana | Lysine-specific demethylase 4D-like - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Prelamin-A/C - Homo sapiens | Cytochrome P450 19A1 - Homo sapiens | Monoamine oxidase B - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Histone acetyltransferase GCN5 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens |Org= Plasmodium falciparum|Carbonic anhydrase II - Homo sapiens | Carbonic anhydrase XIV - Homo sapiens | Carbonic anhydrase I - Homo sapiens | Carbonic anhydrase 15 - Mus musculus | Carbonic anhydrase VA - Homo sapiens | Carbonic anhydrase VB - Homo sapiens | Carbonic anhydrase IV - Homo sapiens | Carbonic anhydrase III - Homo sapiens | Carbonic anhydrase XII - Homo sapiens | Carbonic anhydrase XIII - Homo sapiens | Carbonic anhydrase VI - Homo sapiens | Carbonic anhydrase VII - Homo sapiens | Carbonic anhydrase IX - Homo sapiens| Chromobox protein homolog 1 - Homo sapiens | NAD-dependent deacetylase sirtuin 1 - Homo sapiens | Prenyltransferase homolog - Streptomyces coelicolor A3 | Estrogen receptor beta - Homo sapiens | Beta amyloid A4 protein - Homo sapiens | P-glycoprotein 1 - Homo sapiens | Protein-tyrosine phosphatase 1B - Homo sapiens | Cyclooxygenase-1 - Homo sapiens | Tyrosine-protein kinase LCK - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | 78 kDa glucose-regulated protein - Homo sapiens | Cyclooxygenase-1 - Ovis aries | Tyrosinase - Agaricus bisporus | Cyclooxygenase-2 - Homo sapiens | Transient receptor potential cation channel subfamily A member 1 - Rattus norvegicus | Androgen Receptor - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Regulator of G-protein signaling 4 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | M-phase phosphoprotein 8 - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Zinc finger protein mex-5 - Caenorhabditis elegans | Aryl hydrocarbon receptor - Oryctolagus cuniculus | Monoamine oxidase A - Homo sapiens | Niemann-Pick C1 protein - Homo sapiens | Serine/threonine-protein kinase mTOR - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Ornithine decarboxylase - Homo sapiens | Apoptosis regulator Bcl-X - Homo sapiens | Alpha-1d adrenergic receptor - Rattus norvegicus | Arachidonate 15-lipoxygenase, type II - Homo sapiens | Leukotriene A4 hydrolase - Homo sapiens | N1L - Vaccinia virus | Huntingtin - Homo sapiens | M18 aspartyl aminopeptidase - Plasmodium falciparum 3D7 | Norepinephrine transporter - Homo sapiens | Nitric oxide synthase, inducible - Mus musculus | Nuclear receptor ROR-gamma - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Large T antigen - Simian virus 40 | Carbonic anhydrase II - Homo sapiens | Bcr/Abl fusion protein - Homo sapiens | Tyrosinase - Mus musculus | Ras-related protein Rab-9A - Homo sapiens | NAD-dependent deacetylase sirtuin 2 - Homo sapiens | Cytochrome P450 1A1 - Homo sapiens | Cyclooxygenase-2 - Ovis aries | Sucrase-isomaltase - Rattus norvegicus | Tyrosinase - Homo sapiens | Cholinesterase - Equus caballus | Acidic alpha-glucosidase - Rattus norvegicus | Cerebroside-sulfatase - Homo sapiens | Lysosomal alpha-glucosidase - Homo sapiens | FAD-linked sulfhydryl oxidase ALR - Homo sapiens | Peripheral myelin protein 22 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | Quinone reductase 2 - Homo sapiens | Bloom syndrome protein - Homo sapiens | Cytochrome P450 1B1 - Homo sapiens | Protein kinase C alpha - Homo sapiens | Cathepsin L - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | Canalicular multispecific organic anion transporter 1 - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Carbonic anhydrase IX - Homo sapiens | 6-phospho-1-fructokinase - Trypanosoma brucei |Org= Filobasidiella neoformans | Pseudomonas aeruginosa PAO1 | Streptococcus mutans | Plasmodium falciparum | Candida albicans SC5314 | Helicobacter pylori | Neofusicoccum luteum | Human immunodeficiency virus 1 | Chromobacterium violaceum | Neisseria gonorrhoeae | Candida albicans | Streptococcus sanguinis | Staphylococcus aureus | Tetrahymena thermophila | Saccharomyces cerevisiae | Agrobacterium tumefaciens | Pseudomonas aeruginosa | Leishmania donovani |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Non-Melanoma Skin Cancers|Fibroblast|Non-small Cell Lung Cancer|Lewis Lung carcinoma |Gen=Autophagy |
3D viewer |
Pubchem |
4JAZ 1DVS 4QOH 4QOJ |
445154 |
501-36-0 |
C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O |
LUKBXSAWLPMMSZ-UHFFFAOYSA |
228.24000 |
C14H12O3 |
3.09 |
0 |
3 |
60.70 |
2.0 |
17 |
2 |
Resveratrol has a wide spectrum of targets including cyclooxygenases(i.e. COX, IC50=1.1 ?M), lipooxygenases?LOX, IC50=2.7 ?M?, kinases, sirtuins and other proteins. It has anti-cancer, anti-inflammatory, blood-sugar-lowering and other beneficial cardiovascular effects. |
N/A |
| Oleanolic Acid |
natural product |
Plantago major|Viburnum awabuki|Prunus dulcis|Olea europaea|Pygeum africanum|Achyranthes bidentata|Achyranthes fauriei|Achyranthes japonica| |
Path=AR pathway|Beta-lactamase AmpC - Escherichia coli K-12 | Streptokinase A - Streptococcus pyogenes serotype M1 | Rap guanine nucleotide exchange factor 4 - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | DNA polymerase beta - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus |Org= Plasmodium falciparum | Streptococcus | Streptococcus sp. 'group A'|Glycogen phosphorylase, muscle form - Oryctolagus cuniculus | Protein-tyrosine phosphatase 1B - Homo sapiens | T-cell protein-tyrosine phosphatase - Homo sapiens |Org= Staphylococcus aureus | Mycobacterium tuberculosis | Mycobacterium tuberculosis H37Rv | Plasmodium falciparum | Bacillus subtilis |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|Gen=Microbiology |
3D viewer |
Pubchem |
|
10494 |
508-02-1 |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C |
MIJYXULNPSFWEK-GTOFXWBISA |
456.70000 |
C30H48O3 |
6.282 |
1 |
1 |
57.50 |
1.0 |
33 |
5 |
Oleanolic Acid is a non-toxic, hepatoprotective triterpenoid found in Phytolacca Americana, which exerts antitumor and antiviral properties. |
Caryophyllin |
| Adenosine |
natural product |
Isatis indigotica|Streptomyces herbaceus am-3279|Boschniakia rossica| |
Gen=Adenosine Receptor|Gen=DNA/RNA Synthesis|Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Geminin - Homo sapiens | Adenosylhomocysteinase - Mus musculus | Hepatitis C virus NS5B RNA-dependent RNA polymerase - Hepatitis C virus | Dipeptidyl peptidase IV - Homo sapiens | Adenylate cyclase type V - Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens |Org= Human herpesvirus 1 | Human herpesvirus 2 | Moloney murine leukemia virus | Human herpesvirus 3 | Vaccinia virus | Trichomonas vaginalis | Cowpox virus | Human herpesvirus 1 strain KOS | Vaccinia virus Copenhagen | Macacine herpesvirus 1 | African swine fever virus | unidentified influenza virus | Human herpesvirus 5|Org=Oryctolagus cuniculus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Gen=GPCR & G Protein |
3D viewer |
Pubchem |
4LCA 4LC4 3KW2 3UAY |
60961 |
58-61-7 |
C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O |
OIRDTQYFTABQOQ-UHFFFAOYSA |
267.24000 |
C10H13N5O4 |
-1.881 |
4 |
4 |
140.00 |
2.0 |
19 |
3 |
Adenosine is a nucleoside composed of a molecule of adenine attached to a ribose sugar molecule (ribofuranose) moiety via a ?-N9-glycosidic bond. |
N/A |
| Chlorogenic Acid |
natural product |
Plantago major|Hedeoma drummondii|Euonymus alatus |Lonicera japonica|Flos lonicerae|Lonicera hypoglauca| |
Path=MMP9 pathway|MAPK14 pathway|MAPK8 pathway|Gen=Others|Lysine-specific demethylase 4D-like - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Gen=Others |
3D viewer |
Pubchem |
5GMU |
1794427 |
327-97-9 |
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
PDRYGDFJGDJWPN-UHFFFAOYSA |
354.31000 |
C16H18O9 |
-0.34 |
3 |
4 |
165.00 |
5.0 |
25 |
2 |
Chlorogenic acid is a hydroxycinnamic acid and a member of a family of naturally occurring organic compounds. |
NSC 407296, Heriguard |
| Sesamin |
natural product |
Zanthoxylum americanum|Sesamum indicum|Asiasarum heterotropoides|Eleutherococcus sessiliflorus|Artemisia apiacea|Eleutherococcus senticosus|Machilus thunbergii|Asarum heterotropoides var. mandshuricum|Magnolia praecocissima|Semen sesami|Eleutherococcus gracilistylus|Hyptis tomentosa|Magnolia mutabilis|Zanthoxylum acanthopodium|Artemisia absinthium|Caulerpa sertularioides|Bridelia retusa|Ruta montana|Paulownia tomentosa|Piper longum|Fagara sp|Acanthopanax gracilistylus|Fagara sp.|Acanthopanax sessiliflorus|Acanthopanax senticosus|Zanthoxylum piperitum|Hypoestes purpurea|Asarum sieboldii var. seoulensis|Fagara xanthoxyloides|Asarum sieboldii|Zanthoxylum nitidum|Hippocratea indica|Asiasarum sieboldii|Ptelea crenulata|Magnoliae flos| |
Path=AKT1 pathway|HIF1A pathway|IL6 pathway|IL8 pathway|MAPK14 pathway|MMP9 pathway|NFKB1 pathway|TNF pathway|VEGFA pathway|TFF1 pathway|BCL2 pathway|BIRC5 pathway|CCND1 pathway|ICAM1 pathway|NFKB2 pathway|NFKBIA pathway|RELA pathway|PTGS2 pathway|Gen=Others|Chromobox protein homolog 1 - Homo sapiens | TAR DNA-binding protein 43 - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Glucagon-like peptide 1 receptor - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | DNA polymerase iota - Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens|Glucagon-like peptide 1 receptor - Homo sapiens | Geminin - Homo sapiens | Parathyroid hormone receptor - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens|Cytochrome P450 2C9 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Cytochrome P450 2D6 - Homo sapiens | Cytochrome P450 2C19 - Homo sapiens |Cholinesterase - Equus caballus | Microtubule-associated protein tau - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Cytochrome P450 3A4 - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Multiple Myeloma|Plasmacytoma|Multiple Myeloma |Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Lung Epithelial Carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|prostate Carcinoma|mouse tumor model|mouse skin and pulmonary tumor|Gen=Others |
3D viewer |
Pubchem |
234D 235D 215D 2DES |
72307 |
607-80-7 |
C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6 |
PEYUIKBAABKQKQ-UHFFFAOYSA |
354.35000 |
C20H18O6 |
2.237 |
6 |
0 |
55.40 |
2.0 |
26 |
6 |
Sesamin, a lignan isolated from the bark of Fagara plants and from sesame oil, exhibits various health benefits. |
Fagarol, Fsesamin |
| (-)Epicatechin |
natural product |
Hamamelis virginiana|Salix hulteni|Diospyros kaki|Ulmus davidiana|Litchi chinensis|Theobroma cocoa|Polygonum cuspidatum|Centella asiatica|Rheum officinale|Polyporus ellisii|Uncariae ramulus cumuncis|Ampelopsis japonica|Chaenomeles sinensis|Rheum palmatum|Spirographis spallanzani|Herbahypericiperforati|Houttuynia cordata|Chaenomeles speciosa|Rheum tanguticum|Cissus quinquefolia|Areca catechu|Hippophae rhamnoides|Cinamomum cassia|Rosa laevigata|Dioscoreaebulbiferae|Eucommia ulmoides|Cinnamomum aromaticum|Sargentodoxa cuneata|Rabdosia rosthornii|Agrimonia pilosa|Crataegus pinnatifida|Smilax china|Streptomyces libani|Lysimachiae herba|Drynaria fortunei|Cynomorium songaricum|Smilax glabra|Laurencia snyderae|Rhizoma fagopyri cymosi|Rumex japonicus|Solanum nigrum|Celastri orbiculati fructus|Crataegi folium|Fagopyrum dibotrys|Spatholobus suberectus|Hordei fructus germinatus|Semen aesculi|Euphorbia hirta|Thymus quinquecostatus|Gleditsiae fructus|Apocyniveneti folium|Morus alba|Ginkgo biloba|Thymus vulgaris|Phaseoli semen|Scutellaria baicalensis|Gleditsia japonica|Uncaria gambir|Herba pyrolae|Uncaria sinensis|Gleditsia sinensis|Uncaria macrophylla|Folium nelumbinis|Poria cocos|Uncaria rhynchophylla|Hippophae fructus|Polygonum orientale|Humulus lupulus|Nelumbo nucifera|Hypericum perforatum|Vigna angularis|Vigna umbellata|Actinidia chinensis planch|Lilium brownii|Vigna umbeuata|Amomum tsao-ko|Dimocarpus longan|Lilium lancifolium|Vitex negundo|Eucommiae cortex|Portulaca oleracea|Zanthoxylum bungeanum|Rumex nepalensis|Zanthoxylum piperitum|Cinnamomi ramulus|Lilium pumilum|Perilla frutescens|Zanthoxylum schinifolium|Arecae semen|Paeonia lactiflora|Morus bombycis|Ixeris tamagawaensis|Zingiber officinale|Gleditsiae spina|Murraya exotica|Senecio dryophyllus|Ziziphus jujuba|Abutilon theophrasti|Murraya paniculata|Senecio sinuatus|Hymenopenaeus sibogae|Senegalia catechu|Orostachys fimbriata|Heliomeris multiflora|Casimiroa tetrameria|Inula graveolens|Aloe africana|Orostachys japonicus|Aster koraiensis|green tea|Aloe vera|Aloe ferox|Bactrocera cucumis|Collisella limatula|Aloe spicata|Fallopia multiflora|Solanum giganteum|Aglaia oligophylla|Ageratum houstonianum|Apocynum venetum|Prunus mume|Ligularia dentata|Aspergillus heterothallicus|Punica granatum|Colchicum speciosum|Boehmeria nivea|Rheum coreanum|Licania pittieri |
Path=MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|Gen=ROS|Neuraminidase - Influenza A virus | Fatty acid synthase - Homo sapiens | Cyclooxygenase-1 - Ovis aries | Beta-secretase 1 - Homo sapiens |Org= Meloidogyne incognita | Plasmodium falciparum |
Dis=Hepatobiliary Cancer|Hepatoma|Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Neuroblastoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
4MA6 6AX0 6AWV 6AWT |
72276 |
490-46-0 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
PFTAWBLQPZVEMU-AFYYWNPRSA |
290.27000 |
C15H14O6 |
2.021 |
1 |
5 |
110.00 |
1.0 |
21 |
3 |
(?)Epicatechin is a flavonoid present in cocoa, green tea and red wine. It is a strong antioxidant, has insulin mimic action and improves heart health. |
L-Epicatechin, (-)-Epicatechol |
| (+)-Catechin |
natural product |
Hamamelis virginiana|Salix hulteni|Diospyros kaki|Ulmus davidiana|Litchi chinensis|Theobroma cocoa|Polygonum cuspidatum|Centella asiatica|Rheum officinale|Polyporus ellisii|Uncariae ramulus cumuncis|Ampelopsis japonica|Chaenomeles sinensis|Rheum palmatum|Spirographis spallanzani|Herbahypericiperforati|Houttuynia cordata|Chaenomeles speciosa|Rheum tanguticum|Cissus quinquefolia|Areca catechu|Hippophae rhamnoides|Cinamomum cassia|Rosa laevigata|Dioscoreaebulbiferae|Eucommia ulmoides|Cinnamomum aromaticum|Sargentodoxa cuneata|Rabdosia rosthornii|Agrimonia pilosa|Crataegus pinnatifida|Smilax china|Streptomyces libani|Lysimachiae herba|Drynaria fortunei|Cynomorium songaricum|Smilax glabra|Laurencia snyderae|Rhizoma fagopyri cymosi|Rumex japonicus|Solanum nigrum|Celastri orbiculati fructus|Crataegi folium|Fagopyrum dibotrys|Spatholobus suberectus|Hordei fructus germinatus|Semen aesculi|Euphorbia hirta|Thymus quinquecostatus|Gleditsiae fructus|Apocyniveneti folium|Morus alba|Ginkgo biloba|Thymus vulgaris|Phaseoli semen|Scutellaria baicalensis|Gleditsia japonica|Uncaria gambir|Herba pyrolae|Uncaria sinensis|Gleditsia sinensis|Uncaria macrophylla|Folium nelumbinis|Poria cocos|Uncaria rhynchophylla|Hippophae fructus|Polygonum orientale|Humulus lupulus|Nelumbo nucifera|Hypericum perforatum|Vigna angularis|Vigna umbellata|Actinidia chinensis planch|Lilium brownii|Vigna umbeuata|Amomum tsao-ko|Dimocarpus longan|Lilium lancifolium|Vitex negundo|Eucommiae cortex|Portulaca oleracea|Zanthoxylum bungeanum|Rumex nepalensis|Zanthoxylum piperitum|Cinnamomi ramulus|Lilium pumilum|Perilla frutescens|Zanthoxylum schinifolium|Arecae semen|Paeonia lactiflora|Morus bombycis|Ixeris tamagawaensis|Zingiber officinale|Gleditsiae spina|Murraya exotica|Senecio dryophyllus|Ziziphus jujuba|Abutilon theophrasti|Murraya paniculata|Senecio sinuatus|Hymenopenaeus sibogae|Senegalia catechu|Orostachys fimbriata|Heliomeris multiflora|Casimiroa tetrameria|Inula graveolens|Aloe africana|Orostachys japonicus|Aster koraiensis|green tea|Aloe vera|Aloe ferox|Bactrocera cucumis|Collisella limatula|Aloe spicata|Fallopia multiflora|Solanum giganteum|Aglaia oligophylla|Ageratum houstonianum|Apocynum venetum|Prunus mume|Ligularia dentata|Aspergillus heterothallicus|Punica granatum|Colchicum speciosum|Boehmeria nivea|Rheum coreanum|Licania pittieri |
Path=MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|Gen=ROS|Neuraminidase - Influenza A virus | Fatty acid synthase - Homo sapiens | Cyclooxygenase-1 - Ovis aries | Beta-secretase 1 - Homo sapiens |Org= Meloidogyne incognita | Plasmodium falciparum |
Dis=Hepatobiliary Cancer|Hepatoma|Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Neuroblastoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
4MA6 6AX0 6AWV 6AWT |
9064 |
154-23-4 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
PFTAWBLQPZVEMU-DZGCQCFKSA |
290.27000 |
C15H14O6 |
2.021 |
1 |
5 |
110.00 |
1.0 |
21 |
3 |
Cianidanol is an antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms. |
Cianidanol, Catechinic acid, Catechuic acid |
| Hederagenin |
natural product |
Kalopanax pictus|Diospyros kaki|Scutellaria lateriflora|Akebiae frucyus| |
Gen=Others|Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Quinone reductase 1) - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens |Org= Hepatitis C virus |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Gen=Others |
3D viewer |
Pubchem |
|
73299 |
465-99-6 |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1)C)C(=O)O)C |
PGOYMURMZNDHNS-MYPRUECHSA |
472.70000 |
C30H48O4 |
5.356 |
1 |
2 |
77.80 |
2.0 |
34 |
5 |
Hederagenin is a highly water insoluble triterpenoid compound that can be found in various plants including Hedera helix and Chenopodium quinoa. It exhibits a variety of biological activities, including potent antitumor properties both in vitro and in vivo. |
Caulosapogenin, Hederagenol, Hederagenic acid, Astrantiagenin E |
| Cyclosporin A |
natural product |
Mycale hentscheli |
Gen=Immunology & Inflammation related|immunosuppressant |
Dis=Acute Myeloid Leukemia|Acute Myeloid Leukemia|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
1MIK |
5284373 |
59865-13-3 |
CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C |
PMATZTZNYRCHOR-IMVLJIQESA |
1202.61000 |
C62H111N11O12 |
4.333 |
11 |
5 |
279.00 |
15.0 |
85 |
|
Cyclosporin A is an immunosuppressive agent, binds to the cyclophilin and then inhibits calcineurin with IC50 of 7 nM in a cell-free assay, widely used in organ transplantation to prevent rejection. |
Cyclosporine A |
| Betulinic acid |
natural product |
Betula platyphylla|Dillenia indica|Prunus dulcis|Ulmus davidiana|Zizyphus cambodiana|Narcissus tazetta|Narcissus cantabricus|Anomala cuprea|Bidens frondosa|Solanum tuberosum|Ascochyta cypericola|Zanthoxylum zanthoxyloides|Halorosellinia oceanica|Helichrysum candolleanum|Daedalea dickinsii|Primnoa resedaeformis|Schefflera heptaphylla|Carya alba|Primula veris|Ilex latifolia|Quararibea funebris|Diphylleia grayi|Conringia orientalis|Hedysarum alpinum|Sparganii rhizoma|Halictus sexcinctus|Lycopi herba|Myristica dactyloides|Mentha javanica|Coussarea paniculata|Maytenus cuzcoina|Maytenus chiapensis|junellia tridens|Microtropis fokienensis|perrottetia arisanensis|Parmelia taylori|Orontium japonicum|Balanocarpus zeylanicus|Clematis rehderiana|Diospyros dendo |
Path=BCL2 pathway|CCND1 pathway|BAX pathway|GLI1 pathway|Gen=Topoisomerase|Org=Mycobacterium tuberculosis |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioma|Medulloblastoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Multiple Myeloma|Plasmacytoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Thyroid Cancer|Follicular carcinoma|Gen=DNA Damage |
3D viewer |
Pubchem |
5LSG |
64971 |
472-15-1 |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O |
QGJZLNKBHJESQX-UHFFFAOYSA |
456.70000 |
C30H48O3 |
6.546 |
1 |
1 |
57.50 |
2.0 |
33 |
5 |
Betulinic acid, a pentacyclic triterpenoid from Syzigium claviflorum, is a inhibitor of HIV-1 with EC50 of 1.4 &mu M. Phase 1/2. |
ALS-357 |
| Eleutheroside B |
natural product |
Kalopanax pictus |
Gen=Immunology & Inflammation related |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
|
5316860 |
118-34-3 |
COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CCO |
QJVXKWHHAMZTBY-UHFFFAOYSA |
372.37000 |
C17H24O9 |
-0.512 |
4 |
5 |
138.00 |
7.0 |
26 |
|
Eleutheroside B (syringin) is a phenylpropanoid glycoside first isolated from A. senticosus and has neuroprotective, tonic, adaptogenic, and immune-modulating properties. |
syringin, Syringoside, Lilacin |
| Cordycepin |
natural product |
Cordyceps sinensis|Cordyceps militaris|cordyceps militaris bcc 2816|Ophiocordyceps sinensis |
Path=MMP9 pathway|JUND pathway|NFKB1 pathway|TNF pathway|AKT1 pathway|MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|NFKBIA pathway|Gen=Others|Mitochondrial import inner membrane translocase subunit TIM23 - Saccharomyces cerevisiae S288c | ATP-dependent molecular chaperone HSP82 - Candida albicans (strain WO-1) (Yeast) | Adenosine A1 receptor - Rattus norvegicus | Hepatitis C virus NS5B RNA-dependent RNA polymerase - Hepatitis C virus |Org= Human immunodeficiency virus 1 | Trypanosoma brucei | Trypanosoma brucei brucei | Vaccinia virus | Trypanosoma cruzi | Plasmodium falciparum (isolate K1 / Thailand) | Human herpesvirus 1 | Leishmania donovani | Hepatitis C virus | Trichomonas vaginalis |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Bladder Cancer|Bladder carcinoma|Transitional Cell Carcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Murine BV2 microglia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Melanoma|Murine Melanoma|Gen=Others |
3D viewer |
Pubchem |
5M5K 6F3P 3B4C 3B4B |
6303 |
73-03-0 |
C1C(OC(C1O)N2C=NC3=C2N=CN=C3N)CO |
QLEOCAHPCDUGFN-UHFFFAOYSA |
251.24000 |
C10H13N5O3 |
-1.308 |
4 |
3 |
119.00 |
2.0 |
18 |
3 |
Cordycepin is an adenosine analogue, which is readily phosphorylated to its mono-, di-, and triphosphate intracellularly. It has a very potent anti-cancer, anti-oxidant and anti-inflammatory activities. |
N/A |
| Paclitaxel |
natural product |
Phyllosticta tabernaemontanae|Stephania japonica|Dioscorea collettii|Dioscorea futschauensis|Dioscorea nipponica|Dioscorea collettii var. hypoglauca|Cocculus trilobus|Dioscorea zingiberensis|Dioscorea althaeoides|Taxus brevifolia|Stephania hernandifolia|Dioscorea hypoglauca|Torreya grandis| |
Gen=Autophagy,Microtubule Associated|anticancer||Cholinesterase - Equus caballus | Tubulin alpha chain - Sus scrofa | Receptor protein-tyrosine kinase erbB-2 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | Nonstructural protein 1 - Influenza A virus | Cholecystokinin A receptor - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Cytochrome P450 3A4 - Homo sapiens | Cruzipain - Trypanosoma cruzi | Serine/threonine-protein kinase mTOR - Homo sapiens | Glucocorticoid receptor - Homo sapiens | Delta opioid receptor - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Androgen Receptor - Homo sapiens | Melanocortin receptor 5 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Geminin - Homo sapiens | Vitamin D receptor - Homo sapiens | Bloom syndrome protein - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Neurokinin 2 receptor - Homo sapiens | Multidrug resistance-associated protein 7 - Homo sapiens | Prelamin-A/C - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Tyrosine-protein kinase FYN - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | P-glycoprotein 1 - Homo sapiens | Bile salt export pump - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Ataxin-2 - Homo sapiens | Cytochrome P450 1A2 - Homo sapiens | Niemann-Pick C1 protein - Homo sapiens | Regulator of G-protein signaling 4 - Homo sapiens | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 2 - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Peripheral myelin protein 22 - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Botulinum neurotoxin type A - Clostridium botulinum | Alpha-synuclein - Homo sapiens | Solute carrier family 22 member 1 - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Ras-related protein Rab-9A - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens |Org= Oryctolagus cuniculus | Plasmodium falciparum | Artemia | Sus scrofa |
Dis=acute myeloid leukemia|human leukemia|Breast Cancer|Breast Carcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Gen=Cytoskeletal Signaling |
3D viewer |
Pubchem |
5HNW 5HNX 5HNZ 6B0C |
36314 |
33069-62-4 |
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C |
RCINICONZNJXQF-MZXODVADSA |
853.91000 |
C47H51NO14 |
3.055 |
11 |
3 |
221.00 |
14.0 |
62 |
7 |
Paclitaxel is a microtubule polymer stabilizer with IC50 of 0.1 pM in human endothelial cells. |
NSC 125973 |
| Carvacrol |
natural product |
Satureja hortensis |
Gen=Others |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Gen=Others |
3D viewer |
Pubchem |
|
10364 |
499-75-2 |
CC1=C(C=C(C=C1)C(C)C)O |
RECUKUPTGUEGMW-UHFFFAOYSA |
150.22000 |
C10H14O |
3.268 |
0 |
1 |
20.20 |
1.0 |
11 |
|
Carvacrol, monoterpenic phenol isomeric with thymol, has diverse activities such as antimicrobial, antitumor, an-timutagenic, antigenotoxic, analgesic, antispasmodic, anti-inflammatory, angiogenic, antiparasitic, antiplatelet, AChE inhibitory, antielastase, insecticidal, antihepatotoxic and hepatoprotective activities. |
cymophenol |
| Quercetin |
natural product |
Allium cepa|Diospyros lotus|Vaccinium macrocarpon|Ginkgo biloba|Aspergillus niger|Ardisia japonica|Draba nemorosa|Rabdosia japonica|Alnus sieboldiana|Hypericum perforatum| |
Path=CD19 pathway|CASP3 pathway|MAPK14 pathway|PTGS1 pathway|PTGS2 pathway|TNF pathway|CYP1A1 pathway|CYP1B1 pathway|Gen=Src,Sirtuin,PKC,PI3K |
Dis=Acute Lymphoblastic Leukemia|B-cell lymphoma|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|epidermal carcinoma of cervix|Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|Oral Squamous Cell Carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Kidney Cancer|Renal Cell Adenocarcinoma|Melanoma|Amelanotic melanoma|malignant melanoma|Murine Melanoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Prostate Cancer|prostate Carcinoma|Prostate Adenocarcinoma|Gen=Epigenetics |
3D viewer |
Pubchem |
3BPT 2HCK 4LMU 3LJ0 |
5280343 |
117-39-5 |
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O |
REFJWTPEDVJJIY-UHFFFAOYSA |
302.24000 |
C15H10O7 |
1.63 |
2 |
5 |
127.00 |
1.0 |
22 |
|
Quercetin, a natural flavonoid present in vegetables, fruit and wine, is a stimulator of recombinant SIRT1 and also a PI3K inhibitor with IC50 of 2.4-5.4 ?M. Phase 4. |
Sophoretin |
| Emodin |
natural product |
Rhubarb rhabarbarum|Rheum palmatum|Ventilago madraspatana| |
Path=CCL2 pathway|N/A|ICAM1 pathway|IL6 pathway|IL8 pathway|MAPK14 pathway|NFKBIA pathway|TNF pathway|TNFRSF14 pathway|ITGB1 pathway|PTK2 pathway|PXN pathway|VCL pathway|GRB2 pathway|HIF1A pathway|MMP2 pathway|MMP7 pathway|MMP9 pathway|NFKB1 pathway|JUN pathway|PTGS2 pathway|RHOA pathway|VEGFA pathway|BCL2 pathway|BAX pathway|CASP3 pathway|CASP8 pathway|CASP9 pathway|CCNB1 pathway|AIFM1 pathway|CDKN1A pathway|CYCS pathway|DDIT3 pathway|CCNA1 pathway|CDC25C pathway|CDK1 pathway|IGFBP3 pathway|NR1H4 pathway|CDK2 pathway|CDKN1B pathway|CHEK2 pathway|CYP1A1 pathway|CYP1B1 pathway|CYR61 pathway|SERPINE1 pathway|SLC7A1 pathway|SOS1 pathway|MCL1 pathway|IL6ST pathway|MAPK9 pathway|STAT3 pathway|BIRC5 pathway|ATM pathway|TP53 pathway|Gen=Dehydrogenase |
Dis=Acute Myeloid Leukemia|Acute Monocytic Leukemia |Breast Cancer|Ductal Adenocarcinoma|Breast Carcinoma|Central Nervous System Cancers|Neuroblastoma|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Ehrlich Ascites Carcinoma (EAC)|Head and Neck Cancers|Oral Squamous Cell Carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Melanoma|malignant melanoma|Multiple Myeloma|Multiple Myeloma |Plasmacytoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Gen=Metabolism |
3D viewer |
Pubchem |
3BQC 3ED0 3PZH 3CSD |
3220 |
518-82-1 |
CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O |
RHMXXJGYXNZAPX-UHFFFAOYSA |
270.24000 |
C15H10O5 |
2.568 |
2 |
3 |
94.80 |
0.0 |
20 |
|
Emodin is a purgative resin, 6-methyl-1,3,8-trihydroxyanthraquinone, from rhubarb, the buckthorn and Japanese Knotweed (Fallopia japonica). |
N/A |
| Chrysin |
natural product |
Fragaria ananassa|Acacia honey|Scutellaria baicalensis| |
Path=PLCG1 pathway|SYK pathway|MAPK1 pathway|MAPK3 pathway|Gen=Others |
Dis=Acute Myeloid Leukemia|Basophilic Leukemia|Melanoma|malignant melanoma|Murine Melanoma|Multiple Myeloma|Multiple Myeloma |Gen=Others |
3D viewer |
Pubchem |
3EBO 4DES |
5281607 |
480-40-0 |
C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O |
RTIXKCRFFJGDFG-UHFFFAOYSA |
254.24000 |
C15H10O4 |
2.652 |
2 |
2 |
66.80 |
1.0 |
19 |
|
Chrysin is a naturally occurring flavone chemically extracted from the blue passion flower (Passiflora caerulea). |
NSC 407436 |
| Scopoletin |
natural product |
Artemisia argyi|Gelsemium sempervirens| |
Path=BIRC5 pathway|CCND1 pathway|PCNA pathway|STAT3 pathway|CASP3 pathway|TP53 pathway|Gen=Immunology & Inflammation related |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Melanoma|malignant melanoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
|
5280460 |
92-61-5 |
COC1=C(C=C2C(=C1)C=CC(=O)O2)O |
RXXROUJXJUCLTH-UHFFFAOYSA |
192.17000 |
C10H8O4 |
1.641 |
3 |
1 |
55.80 |
1.0 |
14 |
|
Scopoletin is the main bioactive constituent of flower buds from Magnolia fargesii with anti-inflammatory, hypouricemic, and antioxidant activities. |
Esculetin 6-methyl ether, Gelseminic acid, 6-Methylesculetin, Chrysatropic acid |
| Flavone |
natural product |
Lonchocarpus spp|Trifolium alexandrinum|Commelina communis|Ceratophyllum submersum|Carpobrotus edulis|Swertia hickinii|Plutella xylostella|Tilletia laevis|Daedaleopsis confragosa|Phoenix dactylifera|Epicoccum nigrum|Mahoniae caulis|Oroxylum indicum|Dracocephalum kotschyi|Ginkgo semen|Herba desmodii styracifolii|Lippia carviodora|Mahoniae eadix|Ilex rotunda|Radix tetrastigmatis hemsleyani|Aplysina cauliformis|Mahoniae folum|Rhizoma paridis|Amycolatopsis azurea|Hippophae fructus|Folium aconiti szechenyiani|Parmelia metastrigosa|Gleditsiae spina|Desmodium styracifolium|Oecophylla smaragdina|Streptomyces venezuelae|Primula pulverulenta|Lespedeza homoloba|Pericarpium citri reticulatae viride|Primula farinosa|Hemerocallis minor|Chamaemelum nobile|Psilostrophe cooperi|Schkuhria multiflora|Folium aconiti|Brucea javanica|Anthocleista grandiflora|Orgyia australis postica|Lolium perenne|Sideritis tragoriganum|Pneumatospora obcoronata|Cephalonomia gallicola|Centrolobium tomentosum|Myrica nana|Asplenium normale|Chrysanthemum morifolium|Yponomeuta malinellus|Helleborus caucasicus|Solanum jamaicense|Castanea crenata|Chelidonura fulvipunctata|Hypoestes serpens |
Gen=Others|Calmodulin - Homo sapiens | DNA-dependent protein kinase - Homo sapiens | Geminin - Homo sapiens | Androgen Receptor - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Poly [ADP-ribose] polymerase-1 - Homo sapiens | Tankyrase-2 - Homo sapiens | Survival motor neuron protein - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Nuclear receptor ROR-gamma - Homo sapiens | Xanthine dehydrogenase - Bos taurus | Nuclear receptor subfamily 1 group I member 2 - Rattus norvegicus | 11-beta-hydroxysteroid dehydrogenase 1 - Homo sapiens | Adenosine A3 receptor - Homo sapiens | ATP-binding cassette sub-family G member 2 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Carbonic anhydrase I - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Glucagon-like peptide 1 receptor - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Retinoid X receptor alpha - Homo sapiens | Nuclear factor NF-kappa-B p105 subunit - Homo sapiens | Ras-related protein Rab-9A - Homo sapiens | Tankyrase-1 - Homo sapiens | Adenosine A1 receptor - Rattus norvegicus | P-glycoprotein 1 - Homo sapiens | Glucocorticoid receptor - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Monoamine oxidase A - Homo sapiens | Carbonic anhydrase IX - Homo sapiens | Aryl hydrocarbon receptor - Homo sapiens | Aminopeptidase N - Homo sapiens | Epidermal growth factor receptor erbB1 - Homo sapiens | Triosephosphate isomerase, glycosomal - Trypanosoma cruzi | Niemann-Pick C1 protein - Homo sapiens | Heat shock protein beta-1 - Homo sapiens | Estradiol 17-beta-dehydrogenase 2 - Homo sapiens | Carbonic anhydrase XII - Homo sapiens | Interleukin-8 - Homo sapiens | Androgen Receptor - Rattus norvegicus | Cytochrome P450 19A1 - Homo sapiens | Carbonic anhydrase II - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Cyclooxygenase-2 - Mus musculus | Estradiol 17-beta-dehydrogenase 1 - Homo sapiens |Org= Rattus norvegicus | Trypanosoma cruzi | Spodoptera litura | Dermatophagoides pteronyssinus | Filobasidiella neoformans | Plasmodium falciparum | Candida parapsilosis | Human immunodeficiency virus 1 | Aspergillus niger |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Prostate Cancer|Prostate Adenocarcinoma|Gen=Others |
3D viewer |
Pubchem |
3BPT 2HCK 4LMU 3LJ0 |
10680 |
525-82-6 |
C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2 |
VHBFFQKBGNRLFZ-UHFFFAOYSA |
222.24000 |
C15H10O2 |
3.136 |
2 |
0 |
26.30 |
1.0 |
17 |
3 |
Flavone, a class of flavonoids, mainly found in spices and red or purple plant foods with antioxidant, anti-proliferative, anti-tumor, anti-microbial, estrogenic, acetyl cholinesterase, anti-inflammatory activities and are also used in cancer, cardiovascular disease, neurodegenerative disorders etc. |
2-Phenylchromone, 2-Phenyl-4-chromone, 2-Phenyl-4-benzopyron |
| Ursolic Acid |
natural product |
Origanum dictamnus|Plantago asiatica|Crataegus pinnatifida|Scrophularia ningpoensis|Prunus dulcis|Vaccinium macrocarpon|Rosmarinus officinalis|Ficus microcarpa|Aralia decaisneana|Eriobotrya japonica|Pygeum africanum|calceolaria pinifolia|Piper aequale|Isodon loxothyrsus|Viscum coloratum|Diospyros tricolor|Acrocomia sclerocarpa|Eriostemon deserti|Streptomyces roseoviolaceus|Brugmansia arborea|Abrus pulchellus subsp. cantoniensis|Senecio scandens|Alkanna hirsutissima|Ruta oreojasme|Monascus purpureus|Rhododendron barbatum|Clutia richardiana|Drypetes roxburghii|Melaleuca uncinata|Shigella flexneri|Avrainvillea nigricans|Mentha pulegiformis|Calea megacephala|Halopitys incurvus|Lecanora lividocinerea|Abies nobilis|Cordyline indivisa|Vinca major|Grindelia nana|Formica fusca|Picris radicata|Vitex trifolia|Bambusa chungii|Polyphaga sinensis|Rodgersia podophylla|Drymonia macrophylla|Schisandra lancifolia|Cremastra appendiculata|Hakea saligna|Gynura elliptica|Amsinckia menziesii|Jasminum grandiflorum|Urtica fissa|Psittacanthus cucullaris|Buddleja variabilis|Pinus picea|Didemnum inarmatum|Disepalum plagioneurum|Dipodium punctatum|Ostrinia nubilalis|Aromadendron elegans|Delphinium campylocentrum|Haloxylon salicornicum|Glenodinium halli|Relbunium atherodes|Gentiana pyrenaica|Bursatella leachi|Pycnocoma cornuta|Vallaris solanacea|Lesquerella auriculata|Laurencia caraibica|Osmundaria colensoi|Dacrydium biforme|Primula hirsuta|Leucanthemum maximum|Persea indica|Nephroma australe|Corydalis cornuta|Smenospongia echina|Coronophora gregaria|Scapania nemorea|Corynebacterium ammoniagenes|Viscum album|Relicina connivens|Fagara rubescens|Rhododendron ferrugineum|Dendrobates truncatus|Phegopteris bukoensis|Streptomyces coeruleorubidus|Leptothorax acervorum|Streptomyces misawanensis|Gloxinia erinoides|Eremophila serrulata|Campsis grandiflora| |
Path=CHUK pathway|IKBKB pathway|IL1B pathway|MMP9 pathway|NFKB1 pathway|TNF pathway|NFKBIA pathway|none|PTGS2 pathway|PARP1 pathway|MMP2 pathway|AR pathway|Gen=Others|Glycogen phosphorylase, muscle form - Oryctolagus cuniculus |Org= Staphylococcus aureus | Bacillus subtilis |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Mouse Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Bladder Cancer|Bladder carcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioma|Cervical Cancer|Cervical Carcinoma Papilloma |Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|Nasopharyngeal carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Hepatoma|Melanoma|Murine Melanoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Non-small Cell Lung Cancer|Bronchioalveolar Carcinoma|Lung Epithelial Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|Gen=Others |
3D viewer |
Pubchem |
5K3M 5X8S |
64945 |
77-52-1 |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O |
WCGUUGGRBIKTOS-UHFFFAOYSA |
456.70000 |
C30H48O3 |
6.327 |
1 |
1 |
57.50 |
1.0 |
33 |
5 |
Ursolic acid (Malol) is a pentacyclic triterpene acid, used in cosmetics. |
NSC 167406, NSC-4060 |
| Eucalyptol |
natural product |
Satureja montana |
Gen=Immunology & Inflammation related |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
|
2758 |
470-82-6 |
CC1(C2CCC(O1)(CC2)C)C |
WEEGYLXZBRQIMU-UHFFFAOYSA |
154.25000 |
C10H18O |
2.147 |
1 |
0 |
9.20 |
0.0 |
11 |
|
Eucalyptol is a natural organic compound which controls airway mucus hypersecretion and asthma via anti-inflammatory cytokine inhibition. |
1,8-cineol; 1,8-cineole|cajeputol; 1,8-epoxy-p-menthane; 1,8-oxido-p-menthane; cineol; cineole |
| (-)-epigallocatechin |
natural product |
Diospyros kaki|Myrica rubra|green tea|Paeonia albiflora|Senegalia catechu|Apocynum venetum|Crataegus pinnatifida|Ginkgo biloba|Hypericum perforatum|Morus alba|Solanum nigrum|Spatholobus suberectus|Caulis millettiae|Caulis spatholobi|Citrus wilsonii|Cynanchum chinense|Paeonia lactiflora|Radix paeoniae rubra|Xanthoceras sorbifolium|Nasutitermes ephratae|Nototodarus sloanii| |
Path=ODC1 pathway|Glucose-6-phosphate 1-dehydrogenase - Saccharomyces cerevisiae S288c |Org= Plasmodium falciparum|Beta-secretase 1 - Homo sapiens | Cyclooxygenase-2 - Homo sapiens | Cyclooxygenase-1 - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Basophilic Leukemia|Gen=Others |
3D viewer |
Pubchem |
4E1A 4KQR 4KQK 4KQO |
72277 |
970-74-1 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O |
XMOCLSLCDHWDHP-IUODEOHRSA |
306.27000 |
C15H14O7 |
1.779 |
1 |
6 |
131.00 |
1.0 |
22 |
3 |
(-)-Epigallocatechin, widespread in plants, has been shown to exhibit anti-tumor, anti-cancer and anti-inflammatory functions. |
N/A |
| Aloe-emodin |
natural product |
Aloe spp|Aloe vera|Rheum palmatum|Cassia garrettiana| |
Path=NAT1 pathway|BCL2 pathway|CCNB1 pathway|CDK1 pathway|BAX pathway|CASP3 pathway|CDC25C pathway|CDKN1A pathway|FAS pathway|TP53 pathway|WEE1 pathway|MAPK1 pathway|MAPK3 pathway|CCNA1 pathway|CDK2 pathway|MYC pathway|PCNA pathway|PRKCA pathway|BCL2L1 pathway|BID pathway|N/A|ATF6 pathway|MMP9 pathway|none|MMP2 pathway|AIFM1 pathway|HSPA5 pathway|PARP1 pathway|MAPK14 pathway|MAPK9 pathway|VEGFA pathway|NFKB1 pathway|PTGS2 pathway|CASP8 pathway|CASP9 pathway|FADD pathway|FASLG pathway|TNF pathway|TRADD pathway|TRAF1 pathway|TRAF2 pathway|CYCS pathway|JUN pathway|MAP3K5 pathway|MAPK8 pathway|CASP7 pathway|Gen=Anti-infection |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|Bladder Cancer|Transitional Cell Carcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioma|Neuroblastoma|Glioblastoma|Cervical Cancer|Cervical Adenocarcinoma|Cervical Carcinoma Papilloma |Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Head and Neck Cancers|head and neck squamous cell carcinoma|Nasopharyngeal carcinoma|Oral Squamous Cell Carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Hepatoma|Melanoma|malignant melanoma|Murine Melanoma|Skin cancer|Merkel cell carcinoma |Non-Melanoma Skin Cancers|Fibroblast|Non-small Cell Lung Cancer|large cell carcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Gen=Microbiology |
3D viewer |
Pubchem |
|
10207 |
481-72-1 |
C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)CO)O |
YDQWDHRMZQUTBA-UHFFFAOYSA |
270.24000 |
C15H10O5 |
1.719 |
2 |
3 |
94.80 |
1.0 |
20 |
|
Aloe-emodin is an interferon-inducing agent with IC50 of about 1 ?g/mL for JEV and of about 0.33 ?g/mL for EV71. |
NSC 38628, Rhabarberone |
| Protocatechuic acid |
natural product |
Hibiscus sabdariffa|Inonotus obliquus|Lonicera japonica| |
Path=BCL2 pathway|BAX pathway|NFKB3 pathway|MAPK14 pathway|MAPK8 pathway|Gen=Others |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Gen=Others |
|
|
2BUV 3PCA 1B4U 3LMX |
|
99-50-3 |
C1=CC(=C(C=C1C(=O)O)O)O |
YQUVCSBJEUQKSH-UHFFFAOYSA |
154.12000 |
C7H6O4 |
0.975 |
1 |
2 |
77.80 |
1.0 |
11 |
|
Protocatechuic acid (PCA), a dihydroxybenzoic acid, is a type of widely distributed naturally occurring phenolic acid. |
3,4-Dihydroxybenzoic acid, Protocatechuate |
| Cepharanthine |
natural product |
Stephania cepharantha|Stephania rotunda|Lithocarpus haipinii|Stephania erecta|Stephania epigaea|Sphaerophysa salsula|Dictyodendrilla cavernosa|Ardisia hortorum|Populus balsamifera|Moesziomyces antarcticus|Strychnos gossweileri|Doronicum grandiflorum|Lora quadra|Conus gladiator|Spongia vaginalis|Euphorbia characias subsp. wulfenii|Sargassum fulvellum|Leibnitzia anandria|Stephania sasakll|Stephania delavayi|Oxytropis lanata| |
Path=BIRC2 pathway|BIRC3 pathway|IL6 pathway|IL8 pathway|NFKB1 pathway|NFKB2 pathway|TNF pathway|VEGFA pathway|POU2F1 pathway|CCND1 pathway|CDK6 pathway|CDKN2A pathway|CDKN2B pathway|CDKN1A pathway|BAX pathway|CASP3 pathway|Gen=TNF-alpha|Nuclear receptor ROR-gamma - Mus musculus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Beta-glucocerebrosidase - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Ataxin-2 - Homo sapiens | Proto-oncogene c-JUN - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Niemann-Pick C1 protein - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Cholinesterase - Equus caballus | Trypanothione reductase - Trypanosoma cruzi | Geminin - Homo sapiens | Glucagon-like peptide 1 receptor - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Microtubule-associated protein tau - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Nuclear factor NF-kappa-B p105 subunit - Homo sapiens |Org= Plasmodium falciparum | Saccharomyces cerevisiae|Ubiquitin carboxyl-terminal hydrolase 2 - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens |Org= Plasmodium falciparum |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|Oral Squamous Cell Carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Multiple Myeloma|Multiple Myeloma |Plasmacytoma|Non-Hodgkin's Lymphomas|Lymphoblastic Leukemia|Histiocytic Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=Apoptosis |
3D viewer |
Pubchem |
|
10206 |
481-49-2 |
CN1CCC2=CC3=C(C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3 |
YVPXVXANRNDGTA-UHFFFAOYSA |
606.71000 |
C37H38N2O6 |
7.019 |
6 |
0 |
61.90 |
2.0 |
45 |
7 |
Cepharanthine is a biscoclaurine alkaloid inhibiting tumor necrosis factor (TNF)-?-mediated NF?B stimulation, plasma membrane lipid peroxidation and platelet aggregation and suppressing cytokine production. |
NSC-623442 |
| Genistein |
natural product |
Pueraria thunbergiana|Pueraria radix|Pueraria mirifica|Dalbergia parviflora|Pueraria thomsonii|Cudrania tricuspidata|Pauridiantha callicarpoides|Coniochaeta saccardoi|Atroxima liberica|Lespedeza floribunda|Glycine max|Arum maximum|Streptomyces griseochromogenes|Tolypocladium album|Trogoderma granarium|aged korean fermented soybean paste|Glycyrrhiza glabra|Bergenia crassifolia|Euphrasia stricta|Astragalus spinosus|Streptomyces mirabilis|Glycyrrhiza inflata|Dalbergia obtusa|Rheum qinlingense|Palafoxia texana|Glycyrrhiza uralensis|Delphinium barbeyi|Papaver tatricum|Amaranthus spinosus|Dunalia solanacea|Lawsonia inermis|Dalbergia sissoo|Murraya exotica|Ips cembrae|Lippia integrifolia|Abies amabilis|Scolopia chinensis|Derris scandens|Murraya paniculata|Chelonaplysilla violacea|Piper dilatatum|Crotalaria orixensis|Heliotropium hirsutissimum|Calicotome villosa|Macadamia ternifolia|Peltogyne pubescens|Christisonia bicolor|[clostridium] cellulolyticum|Pueraria lobata|Prunus serrulata var. spontanea|Cullen corylifolium|Erysimum siliculosum|Pseudoceratina arabica|Citrus rugulosa|Albizia subdimidiata|Hyoscyamus pusillus|Andira inermis|Pueraria montana var. lobata|Astragalus bicuspis|Pterocarpus indicus|Allagopappus viscosissimus|Cistanche salsa|Nicotiana raimondii|Sanguisorba officinalis|Pueraria montana var. thomsonii|Zanthoxylum decaryi|Pleurotus japonicus|Lunularia cruciata|Flemingia macrophylla|Candida albicans|Teucrium betonicum|Sophora flavescens|Ranunculus peltatus|Justicia adhatoda|Homo sapiens|Setosphaeria holmii|Spatholobus suberectus|Desmodium styracifolium|Sophora japonica|Neomeris annulata|Conyza japonica|Coniophora puteana|Cistanches herba|Sisymbrium officinale|Sophora tonkinensis|Trollius europaeus|Lepidosperma ustulatum|Fomes fastuosus|Sojae semen praeparatum|Puerariae flos|Jamesoniella colorata|Streptomyces filamentosus|Trifolium pratense|Lecanora kukunorensis|Semiaquilegiae radix|Tenebrio obscurus|Vitex negundo|Cymodocea nodosa|Lupinus luteus|Aglaia australiensis|Hibiscus schizopetalus|Fructussophorae|Octopus vulgaris|Fumaria micrantha|Teucrium marum|Jacmaia incana|Piptanthus nepalensis|Davidsoniella virescens|Iridis tectori rhizoma|Pachychalina alcaloidifera|Dinophysis fortii|Stachys chrysantha|Atuna racemosa|Cordyceps sinensis|Maximowiczia sonorae|Radix puerariae|Camchaya loloana|Diplacus longiflorus|Styrax agrestis|Platytaenia lasiocarpa|Vepris nobilis|Belamcandae rhizome|Smilax bracteata|Chrysanthemum uliginosum|Eriocephalus punctulatus|Astragalus pycnanthus|Aspergillus albus|Kaempferia rotunda|Sojae semen nigrum|Chionodoxa gigantea|Pulsatilla campanella|Hydrangea serrata|Chamomilla recutita|Dendrobium candidum|Bonamia spectabilis|Sophorae tonkinensis radix et rhizome|Berlinia tomentosa|Garcinia oblongifolia|Amietophrynus regularis|Ophiopogon planiscapus|Eucommiae cortex|Tynanthus panurensis|Amorphinopsis foetida|Linum crispum|Melaleuca viminea|Pterodon emarginatus|Flos genkwa|Syzygium nervosum|Macrocentrus cingulum|Penstemon teucrioides|Xenia blumi|Ipomoea muricata|Streptomyces|Swertia decussata|Berberis floribunda|Rabdosia angustifolia|Tabebuia chrysantha|Trifolium resupinatum|Streptomyces roseolus nrrl b-5424|Inulanthera calva|Usnea canariensis|Panzeria canescens|Iyengaria stellata|Hapalosiphon delicatulus|Crassostrea virginica|Streptomyces globisporus 1912|Convallaria majalis|Crotalus atrox|Bertya dimerostigma|Pseudocinchona pachyceras|Streptomyces ans-127|Scutellaria sieberi|Munchausia speciosa|Rosulabryum capillare|Erycibe expansa|Petroselinum crispum|Piper wightii|Astragalus wiedemannianus|Tephrosia watsoniana|Ophiorrhiza kunstleri|phoma glomerata|Dalbergia odorifera|Licaria brasiliensis|Strongylodesma algoaensis|Salvia miltiorrhiza|Parameria laevigata|Pisolithus tinctorius|soybeans|Achillea pseudopectinata|Asterias rathbuni|Baccharoides anthelmintica|Pinus koraiensis|Dalbergia frutescens|Ginkgo biloba|Ascochyta viciae |
Path=BCL2 pathway|CASP3 pathway|ER alpha pathway|PPARA pathway|PTK activity|Gen=EGFR,Topoisomerase|Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Epidermal growth factor receptor erbB1 - Homo sapiens | UDP-glucuronosyltransferase 1-9 - Homo sapiens | Estrogen receptor beta - Homo sapiens | Cholinesterase - Equus caballus | Protein kinase C alpha - Homo sapiens | Xanthine dehydrogenase - Homo sapiens | Canalicular multispecific organic anion transporter 1 - Homo sapiens | Maltase-glucoamylase - Homo sapiens | Serotonin 2a (5-HT2a) receptor - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Human immunodeficiency virus type 1 integrase - Human immunodeficiency virus 1 | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Microtubule-associated protein tau - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Adenosine A1 receptor - Homo sapiens | Androgen Receptor - Homo sapiens | Sialidase - Clostridium perfringens | Cytochrome P450 19A1 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Pyruvate kinase - Leishmania mexicana | ATPase family AAA domain-containing protein 5 - Homo sapiens | Neuraminidase - Influenza A virus | Dopamine transporter - Homo sapiens | Serotonin 2c (5-HT2c) receptor - Homo sapiens | Estradiol 17-beta-dehydrogenase 2 - Homo sapiens | Multidrug resistance-associated protein 1 - Homo sapiens | Thrombopoietin - Homo sapiens | Prelamin-A/C - Homo sapiens | DNA topoisomerase II alpha - Homo sapiens | Peripheral myelin protein 22 - Homo sapiens | Estradiol 17-beta-dehydrogenase 1 - Homo sapiens | Adenosine A2a receptor - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Cytochrome P450 2C19 - Homo sapiens | Neuraminidase - Influenza A virus (A/Puerto Rico/8/1934(H1N1)) | Aldose reductase - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Quinone oxidoreductase - Mus musculus | LXR-beta - Homo sapiens | Survival motor neuron protein - Homo sapiens | Salivary alpha-amylase - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Cellular tumor antigen p53 - Homo sapiens | Monoamine oxidase A - Homo sapiens | Ornithine decarboxylase - Homo sapiens | P-glycoprotein 1 - Homo sapiens | Peroxisome proliferator-activated receptor gamma - Homo sapiens | Tyrosine-protein kinase YES - Homo sapiens | LXR-alpha - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Aldehyde oxidase - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Geminin - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Adenosine A2a receptor - Rattus norvegicus | Sialidase 2 - Homo sapiens | Tyrosine-protein kinase SYK - Homo sapiens | Ras-related protein Rab-9A - Homo sapiens | Testis-specific androgen-binding protein - Homo sapiens | Cystic fibrosis transmembrane conductance regulator - Rattus norvegicus | Cruzipain - Trypanosoma cruzi | Niemann-Pick C1 protein - Homo sapiens | Aldose reductase - Rattus norvegicus | 78 kDa glucose-regulated protein - Homo sapiens | Adenosine A1 receptor - Rattus norvegicus | Tyrosinase - Mus musculus | Cytochrome P450 1A2 - Homo sapiens | Hypoxia-inducible factor 1 alpha - Homo sapiens | Flap endonuclease 1 - Homo sapiens | M-phase phosphoprotein 8 - Homo sapiens | Sphingomyelin phosphodiesterase - Homo sapiens | Voltage-gated L-type calcium channel alpha-1C subunit - Rattus norvegicus | Tyrosine-protein kinase FYN - Homo sapiens | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Tyrosine-protein kinase BMX - Homo sapiens | ATP-binding cassette sub-family G member 2 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Fatty acid synthase - Plasmodium falciparum | Serine/threonine-protein kinase AKT - Homo sapiens | Serine/threonine-protein kinase PIM1 - Homo sapiens | Tyrosine-protein kinase SRC - Homo sapiens | Thromboxane-A synthase - Homo sapiens | Cyclooxygenase-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Androgen Receptor - Rattus norvegicus | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | DNA polymerase beta - Homo sapiens | Arachidonate 15-lipoxygenase - Oryctolagus cuniculus | Protein kinase Pfmrk - Plasmodium falciparum | Death-associated protein kinase 1 - Homo sapiens |Org= Rattus norvegicus | Callosobruchus chinensis | Tribolium castaneum | Rhyzopertha dominica | Sitophilus oryzae | Achaea janata | Plasmodium falciparum | Human immunodeficiency virus 1 | Hepatitis C virus | Cavia porcellus | Saccharomyces cerevisiae | Escherichia coli | Trypanosoma brucei brucei | Giardia intestinalis | Plasmodium berghei | Leishmania donovani |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Breast Carcinoma|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Gen=Protein Tyrosine Kinase |
3D viewer |
Pubchem |
3KGU 3KGT 1QKM 1X7J |
5280961 |
446-72-0 |
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O |
|
270.24000 |
C15H10O5 |
2.14 |
2 |
3 |
87.00 |
1.0 |
20 |
3 |
Genistein, a phytoestrogen found in soy products, is a highly specific inhibitor of protein tyrosine kinase (PTK) which blocks the mitogenic effect mediated by EGF on NIH-3T3 cells with IC50 of 12?M or by insulin with IC50 of 19 ?M. |
N/A |
| (-)-Epigallocatechin Gallate |
natural product |
Diospyros kaki|Myrica rubra|Camellia sinensis|Prunus persica|Punica granatum|Ampelopsis japonica|Rhodiola rosea|Eriobotrya japonica|Morus alba|Ardisia japonica|Portulaca oleracea|Paeonia lactiflora| |
Path=ODC1 pathway|ABCG2 pathway|BCL2 pathway|BAX pathway|CASP3 pathway|PARP1 pathway|AR pathway|PSA pathway|N/A|CDK4 pathway|PCNA pathway|Gen=DNA Methyltransferase,HER2,Telomerase,EGFR,Fatty Acid Synthase|15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Arachidonate 15-lipoxygenase - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Histone acetyltransferase GCN5 - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Vitamin D receptor - Homo sapiens | DNA polymerase kappa - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | HERG - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Galactokinase - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis|Beta-secretase 1 - Homo sapiens|Beta-secretase 1 - Homo sapiens | Fucosyltransferase 4 - Homo sapiens | CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase - Homo sapiens | Alpha-(1,3)-fucosyltransferase 7 - Homo sapiens|Hepatocyte growth factor receptor - Homo sapiens | 3-oxoacyl-acyl-carrier protein reductase - Plasmodium falciparum | 6-phosphogluconate dehydrogenase - Homo sapiens | Glucose-6-phosphate 1-dehydrogenase - Saccharomyces cerevisiae S288c | Apoptosis regulator Bcl-2 - Homo sapiens | Heat shock protein HSP 90-beta - Homo sapiens | Enoyl-acyl-carrier protein reductase - Plasmodium falciparum | Fatty acid synthase - Plasmodium falciparum |Org= Rattus norvegicus | Human herpesvirus 1 | Plasmodium falciparum | Human immunodeficiency virus 1 |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Basophilic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|Uterine Neoplasms|leiomyoma|Gen=DNA Damage |
3D viewer |
Pubchem |
4E1A 4KQR 4KQK 4KQO |
65064 |
989-51-5 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
|
458.37000 |
C22H18O11 |
3.097 |
3 |
8 |
197.00 |
4.0 |
33 |
4 |
(-)-Epigallocatechin Gallate(EGCG) is the main catechin extraction of green tea that inhibits telomerase and DNA methyltransferase. EGCG blocks the activation of EGF receptors and HER-2 receptors. ECGG inhibits fatty acid synthase and glutamate dehydrogenase activity. |
EGCG |
| Artesunate |
natural product |
Artemisia annua|Artemisia apiacea |
Path=KDR pathway|VEGFA pathway|Gen=STAT|antiparasitic|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus |Org= Plasmodium berghei | Plasmodium falciparum | Plasmodium falciparum (isolate K1 / Thailand) | Plasmodium falciparum NF54 | Plasmodium vinckei petteri | Toxoplasma gondii RH | Plasmodium vivax | Plasmodium falciparum 3D7 | Trypanosoma brucei brucei | Plasmodium malariae | Plasmodium yoelii nigeriensis | Plasmodium yoelii | Fasciola hepatica | Human herpesvirus 5 strain AD169 | Schistosoma mansoni | Echinococcus multilocularis | Schistosoma japonicum|Geminin - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Huntingtin - Homo sapiens |Org= Plasmodium falciparum | Trypanosoma brucei rhodesiense | Leishmania donovani | Trypanosoma cruzi |
Dis=Acute Myeloid Leukemia|Acute Myeloid Leukemia|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Ovarian Cancer|Epithelial Ovarian Cancer |Uterine Neoplasms|Choriocarcinoma|Gen=JAK/STAT |
3D viewer |
Pubchem |
|
6917864 |
88495-63-0 |
CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC(=O)CCC(=O)O)C |
FIHJKUPKCHIPAT-AHIGJZGOSA-N |
384.42000 |
C19H28O8 |
1.845 |
7 |
0 |
101.00 |
5.0 |
27 |
3 |
Artesunate is a part of the artemisinin group of agents with an IC50 of < 5 ?M for small cell lung carcinoma cell line H69. It is a potential inhibitor of STAT-3 and exhibits selective cytotoxicity of cancer cells over normal cells in vitro A potent inhibitor of EXP1. |
WR-256283 |
| Cryptotanshinone |
natural product |
Salvia miltiorrhizae |Amentotaxus yunnanensis|Picradeniopsis pringlei|Asphodeline tenuior|Rhabdia lycioides|Dioscorea communis|Notholaena dealbata|Vicia sativa|Metzgeria pubescens|Amaranthus hybr|Delphinium cyphoplectrum|Ritterella rubra|Euphorbia sancta|Decachaeta ovatifolia|Bothriocline longipes|Glycyrrhiza triphylla|Agathosma thymifolia|Camptothecium lutescens|Uvaria klaineana|Deguelia hatschbachii|Hydrolithon reinboldii|Pleurophycus gardneri|Iris hoogiana|Artemisia siversiana|Allochromatium minutissimum|Euphorbia retusa|Streptomyces lateritius|Phallusia fumigata|Senecio madagascariensis|Viburnum sieboldi|Stauntonia obovatifoliola|Palmaria palmata|Cladonia bellidiflora|Glycine falcata|Radix salviae|Salvia miltiorrhiza|Nardostachyos radix et rhizoma|Perovskia abrotanoides|Salvia trijuga| |
Path=CASP3 pathway|CASP8 pathway|CASP9 pathway|PARP1 pathway|BAX pathway|N/A|CDKN1A pathway|CCNA1 pathway|CCNB1 pathway|CDC25C pathway|CDK1 pathway|CHEK1 pathway|CHEK2 pathway|LDHA pathway|TP53 pathway|MMP2 pathway|JUND pathway|NFKB1 pathway|AURKA pathway|BCL2 pathway|BID pathway|MAPK14 pathway|MAPK8 pathway|MTOR pathway|RPS6K pathway|XIAP pathway|MAPK1 pathway|AKT1 pathway|CCND1 pathway|RB1 pathway|CCNE1 pathway|CDK2 pathway|CDK4 pathway|Gen=STAT|Acetylcholinesterase - Homo sapiens | SARS coronavirus 3C-like proteinase - SARS coronavirus | Vitamin D receptor - Homo sapiens | Cholinesterase - Equus caballus | Microtubule-associated protein tau - Homo sapiens | Carboxylesterase 2 - Homo sapiens | Streptokinase A - Streptococcus pyogenes serotype M1 | ATPase family AAA domain-containing protein 5 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Geminin - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | DNA polymerase beta - Homo sapiens | Protein-tyrosine phosphatase 2C - Homo sapiens | DNA polymerase kappa - Homo sapiens | Signal transducer and activator of transcription 3 - Homo sapiens | Neuropeptide S receptor - Homo sapiens | Serine/threonine-protein kinase PLK1 - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Histone-lysine N-methyltransferase MLL - Homo sapiens | Protein-tyrosine phosphatase 1B - Homo sapiens | DNA polymerase eta - Homo sapiens | Receptor-type tyrosine-protein phosphatase F (LAR) - Homo sapiens | Protein-tyrosine phosphatase 1C - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | ATP-dependent DNA helicase Q1 - Homo sapiens | Leukocyte common antigen - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | Muscleblind-like protein 1 - Homo sapiens | Aldose reductase - Rattus norvegicus | P-glycoprotein 1 - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Acyl coenzyme A:cholesterol acyltransferase - Homo sapiens | T-cell protein-tyrosine phosphatase - Homo sapiens | Regulator of G-protein signaling 4 - Homo sapiens | Tyrosine-protein phosphatase non-receptor type 9 - Homo sapiens | Protease - Human immunodeficiency virus 1 | Telomerase reverse transcriptase - Homo sapiens | Papain - Carica papaya | Dengue virus type 2 NS3 protein - Dengue virus type 2 (strain Thailand/16681/1984) (DENV-2) |Org= Plasmodium falciparum | Streptococcus | Leishmania major | Streptococcus sp. 'group A'|Aldehyde dehydrogenase 1A1 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Cruzipain - Trypanosoma cruzi | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens |
Dis=Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Melanoma|Murine Melanoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Lung Epithelial Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Retinoblastoma|Gen=JAK/STAT |
3D viewer |
Pubchem |
|
160254 |
35825-57-1 |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
|
296.36000 |
C19H20O3 |
3.761 |
3 |
0 |
43.40 |
0.0 |
22 |
4 |
Cryptotanshinone is a STAT3 inhibitor with IC50 of 4.6 ?M in a cell-free assay, strongly inhibits phosphorylation of STAT3 Tyr705, with a small effect on STAT3 Ser727, but none against STAT1 nor STAT5. |
N/A |
| Dihydroartemisinin (DHA) |
natural product |
Artemisia annua|Artemisia apiacea |
Path=MAPK14 pathway|CASP3 pathway|P-glycoprotein 1 - Homo sapiens |Org= Plasmodium falciparum 3D7 | Plasmodium falciparum|Peripheral myelin protein 22 - Rattus norvegicus | Cytochrome P450 3A4 - Homo sapiens | Huntingtin - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Geminin - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | 78 kDa glucose-regulated protein - Homo sapiens | Survival motor neuron protein - Homo sapiens |Org= Plasmodium falciparum |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Non-small Cell Lung Cancer|Gen=Others |
3D viewer |
Pubchem |
|
3000518 |
71939-50-9 |
CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)O)C |
|
284.35000 |
C15H24O5 |
1.621 |
4 |
0 |
57.20 |
0.0 |
20 |
3 |
Dihydroartemisinin (DHA) is a semi-synthetic derivative of artemisinin and isolated from the traditional Chinese herb Artemisia annua. |
N/A |
| Luteolin |
natural product |
Plantago major|Dracocephalum kotschyi|Rosmarinus officinalis|Tithonia diversifolia|Vitex rotundifolia|Olea europaea|Eupatorium odoratum|Plantago lagopus|Terminalia arjuna|Vitex trifolia|Perilla leaf|Chrysanthemum morifolium|Carex folliculata|Lonicera japonica|Cyperus alopecuroides|Punica granatum| |
Path=BCL2L1 pathway|BIRC5 pathway|CDK1 pathway|CDK2 pathway|CDK4 pathway|CDKN1A pathway|CDKN1B pathway|MCL1 pathway|CASP3 pathway|CASP8 pathway|CASP9 pathway|MAPK14 pathway|MAPK8 pathway|AIFM1 pathway|APEX2 pathway|NUDT1 pathway|OGG1 pathway|Gen=PDE |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Bladder Cancer|Transitional Cell Carcinoma|Breast Cancer|Breast Carcinoma|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Fibrosarcoma|Murine Fibrosarcoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Hepatoma|Kidney Cancer|kidney cancer|Renal Cell Adenocarcinoma|Melanoma|malignant melanoma|mouse tumor model|DMBA/TPA induced skin carcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|large cell carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Prostate Cancer|Prostate Adenocarcinoma|Small Cell Lung Cancer|Small Cell Lung Carcinoma|Soft Tissue Sarcoma|Mouse sarcoma|Gen=Metabolism |
3D viewer |
Pubchem |
5AUU 4HKN 4QXV 3SZ1 |
5280445 |
491-70-3 |
C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O |
|
286.24000 |
C15H10O6 |
2.168 |
2 |
4 |
107.00 |
1.0 |
21 |
|
Luteolin is a flavonoid found in Terminalia chebula, which is a non-selective phisphodiesterase PDE inhibitor for PDE1-5 with Ki of 15.0 &muM, 6.4 &muM, 13.9 &muM, 11.1 &muM and 9.5 &muM, respectively. Phase 2. |
N/A |
| (+)-Matrine |
natural product |
Sophora flavescens|Planchonia grandis|Plathymenia reticulata|Syzygium polycephaloides|Pteridium esculentum|Abelia chinensis|Siphonaria capensis|Lycogala epidendrum|Sophorae tonkinensis radix et rhizome|Lemaireocereus longispinus|Embelia schimperi|Cordia leucocephala|Sophorae flavescentis radix|Latrunculia magnifica|Eria anomala|Sophora tonkinensis|Asimina parviflora|Erythrina melanacantha|Hypericum styphelioides|Myxococcus stipitatus|Theonella conica|Morella rubra|Faramea salicifolia|Chondrodendron tomentosum|Conus mus|Vellozia nanuzae|Monsonia senegalensis|Piper regnellii|Pancratium sickenbergeri|Onopordum acanthium|Rhinella marina|Helichrysum tenuifolium|Clerodendrum bungei|Embelia parviflora|Esenbeckia leiocarpa|Shigella dysenteriae|Simarouba glauca|Diospyros assimilis|Baccharis neglecta|Gymnocalycium schickendantzii|Centaurea maculosa|Lythrum salicaria|Tricholoma columbetta|Vernonia fagifolia|Dendronephthya griffini|Aplophyllum alberti-regelii|Haplophyllum obtusifolium|Euphorbia nematocypha|Dolabella californica|Erysimum leptophyllum|Epilobium hirsutum|Ephedra sinica|Sophora alopecuroides| |
Path=EIF4E pathway|N/A|MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|CASP3 pathway|FAS pathway|FASLG pathway|Gen=Opioid Receptor|Org=Hepatitis B virus|Histone acetyltransferase GCN5 - Homo sapiens |Org= Plasmodium falciparum|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus |Org= Hepatitis B virus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioma|Chronic Myelogenous Leukemia|Esophageal and Esophagogastric Junction Cancers|Esophageal squamous cell carcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Gen=Neuronal Signaling |
3D viewer |
Pubchem |
|
91466 |
519-02-8 |
C1CC2C3CCCN4C3C(CCC4)CN2C(=O)C1 |
|
248.36000 |
C15H24N2O |
1.417 |
1 |
0 |
23.60 |
0.0 |
18 |
4 |
Matrine((+)-Matrine) is an alkaloid found in plants from the Sophora family, which has a variety of pharmacological effects, including anti-cancer effects, and action as a kappa opioid receptor agonist. |
N/A |
| Naringin |
natural product |
Citrus spp|Ralstonia solanacearum|Hedysarum polybotrys|Fructus aurantii|Securidaca inappendiculata|Coccus fagi|Beyeria brevifolia|Fusarium gibbosum|Morus alba|Tripterygium wilfordii|Dendrosenecio kilimanjari|Lactarius scrobiculatus|Haplopappus chrysanthemifolius|Citrus trifoliata|Helianthus annuus|Simira eliezeriana|Cladonia evansii|Prunus laurocerasus|Portulaca oleracea|Citrus maxima|Pseudopterogorgia kallos|Bursaria spinosa|Stenostomum lucidum|Prunus mume|Helianthus maximiliani|Chromolaena odorata|Ficus formosana|Isodon kameba|Rheum coreanum|Ageratum conyzoides|Kaempferia pulchra|Artemisia monogyna|Senecio squalidus|Rheum officinale|Citrus nobilis|Cytisus austriacus|Centaurea spinosa|Elaeocarpus sylvestris|Rheum palmatum|Citrus tankan|Quercus aegilops|Citri reticulatae pericarpium viride|Prosopis glandulosa|Rheum tanguticum|Pericarpium citri reticulatae viride|Alligator mississippiensis|Citrus aurantium|Vitex madiensis|Rhododendron dauricum|Herba selaginellae doederleinii|Pyrosoma giganteum|Glycyrrhiza|Araujia sericifera|Scutellaria barbata|Helianthus canescens|Citri grandis exocarpium|Clematis terniflora var. mandshurica|Sophora japonica|Canarii fructus|Taxodium mucronatum|Citrus japonica var. margarita|Citrus reticulata|Pheidole pallidula|Exocarpium citri rubrum|Hedysari radix|Streptomyces althioticus|Citri exocarpium rubrum|Pterocarpus grandiflorus|Helianthus niveus|Radix moghaniae philippinensis|Exocarpium citri grandis|Aurantii fructus immaturus|Sesbania punicea|Aurantii fructus|Chloranthus tianmushanensis|Blumea glomerata|Astragalus membranaceus|Anaxagorea clavata|Pericarpium citri reticulatae|Astragalus mongholicus|Salvia officinalis|Citrus japonica|Clonostachys rosea|Pteris prolifera|Zaluzania augusta|Citrus grandis|Arnica nevadensis|Citrus medica|Pericarpium citri|Chromolaena pulchella|Citrus natsudaidai|Fortunella japonica|Dipterocarpus alatus|Cymbopogon citratus|Exocarpium citri|Epaltes gariepina|Citrus sinensis|Fortunella margarita|Agnorhiza bolanderi|Aplidium constellatum|Citrus unshiu|Citrus wilsonii|Poncirus trifoliata|Gardenia fosbergii|Bassia butyracea|Crocus sativus|Aceriphyllum rossii|Ilex affinis|Echinops amplexicaulis|Drynaria fortunei|Rhizobium phaseoli|Aria pallescens|Ganoderma lucidum|Seriphidium cinum|Drosera peltata|Ganoderma sinense| |
Gen=P450 (e.g. CYP17)|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus | UDP-glucuronosyltransferase 1-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Glycogen synthase kinase-3 beta - Homo sapiens | Heparanase - Homo sapiens | Ubiquitin-conjugating enzyme E2 N - Homo sapiens | Geminin - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Bcl-2-related protein A1 - Mus musculus | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | Solute carrier organic anion transporter family member 1A5 - Rattus norvegicus | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Cytochrome P450 19A1 - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Protein-tyrosine phosphatase 1B - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | TAR DNA-binding protein 43 - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Transcriptional regulator ERG - Homo sapiens |Org= Salmonella typhimurium| |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Gen=Metabolism |
3D viewer |
Pubchem |
|
442428 |
10236-47-2 |
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O |
|
580.53000 |
C27H32O14 |
-0.415 |
6 |
8 |
225.00 |
6.0 |
41 |
5 |
Naringin is a flavanone glycoside, which exerts a variety of pharmacological effects such as antioxidant activity, blood lipid lowering, anticancer activity, and inhibition of cytochrome P450 enzymes. |
Naringoside |
| Oridonin |
natural product |
Isodon rubescens|Rabdosia rubescens|Isodon rubescens var. lushiensis|Rubia cordifolia| |
Path=BCL2 pathway|CCNB1 pathway|CDK1 pathway|DFFA pathway|EGFR pathway|PARP1 pathway|SIRT1 pathway|AIFM1 pathway|BAX pathway|CASP3 pathway|CASP8 pathway|CYCS pathway|FADD pathway|JUND pathway|MAPK14 pathway|NFKB1 pathway|FAS pathway|SREBF1 pathway|Gen=Others|Cholinesterase - Equus caballus | Acetylcholinesterase - Electrophorus electricus |Org= Mycobacterium phlei | Mycobacterium smegmatis |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Gen=Others |
3D viewer |
Pubchem |
|
5321010 |
28957-04-2 |
CC1(CCC(C23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)O)C |
|
364.43000 |
C20H28O6 |
0.2 |
2 |
3 |
107.00 |
0.0 |
26 |
3 |
Oridonin, a diterpenoid purified from Rabdosia rubescens, is an antitumor agent. |
Isodonol, Rubescenin |
| (-)-Parthenolide |
natural product |
Tanacetum parthenium|Tsuga sieboldii|Lactarius blennius|Sinularia erecta|Silene dioica|Mollugo pentaphylla|Paederia foetida|Dolichos kilimandscharicus|Tuta absoluta|Artemisia phaeolepis|Laurencia dendroidea|Naucleopsis mello-barretoi|Laserpitium siler|Ambrosia psilostachya| |
Path=MLL pathway|MAPK14 pathway|Gen=HDAC,NF-?B,Mdm2,p53|Gen=HDAC,NF-?B,Mdm2,p53|Aldehyde dehydrogenase 1A1 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Parathyroid hormone receptor - Homo sapiens | Vitamin D receptor - Homo sapiens | Ferritin light chain - Equus caballus | Regulator of G-protein signaling 4 - Homo sapiens | Geminin - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens|Acetylcholinesterase - Electrophorus electricus | Nuclear factor NF-kappa-B p65 subunit - Homo sapiens | Nitric oxide synthase, inducible - Mus musculus | Serotonin 2a (5-HT2a) receptor - Rattus norvegicus | Caspase-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Cholinesterase - Equus caballus | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Transcriptional activator Myb - Gallus gallus | NACHT, LRR and PYD domains-containing protein 3 - Homo sapiens | UDP-N-acetylglucosamine 1-carboxyvinyltransferase - Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) | UDP-N-acetylglucosamine 1-carboxyvinyltransferase - Escherichia coli K-12 | Transcription factor Sp1 - Homo sapiens | Cyclooxygenase-2 - Homo sapiens |Org= Plasmodium falciparum | Orobanche cernua var. cumana|TAR DNA-binding protein 43 - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Ataxin-2 - Homo sapiens | Parathyroid hormone receptor - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|pre-B leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Medulloblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Melanoma|malignant melanoma|Skin Cancer|Epithelial cell carcinoma|Small Cell Lung Cancer|Small Cell Lung Carcinoma|Gen=NF-?B |
3D viewer |
Pubchem |
|
7251185 |
20554-84-1 |
CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C |
|
248.32000 |
C15H20O3 |
2.923 |
3 |
0 |
38.80 |
0.0 |
18 |
3 |
(-)-Parthenolide, an inhibitor of the Nuclear Factor-?B Pathway, specifically depletes HDAC1 protein without affecting other class I/II HDACs Also promotes the ubiquitination of MDM2 and activates p53 cellular functions. |
N/A |
| Silibinin |
natural product |
Silybum marianum|Lycium chinense| |
Path=ERBB2 pathway|TP53 pathway|MYC pathway|SLC2A4 pathway|AKT1 pathway|TBC1D4 pathway|CASP3 pathway|LDHA pathway|PSA pathway|N/A|BCL2L1 pathway|MAPK14 pathway|MMP9 pathway|JUN pathway|MAP2K1 pathway|MAPK1 pathway|MAPK3 pathway|MAPK8 pathway|RAF1 pathway|CYCS pathway|EGFR pathway|IGF1R pathway|PTK2 pathway|VEGFA pathway|BID pathway|BIRC5 pathway|CASP8 pathway|CASP9 pathway|CFLAR pathway|TNFRSF10C pathway|DDIT3 pathway|TNFRSF10B pathway|FOS pathway|JUND pathway|MAPK9 pathway|MMP2 pathway|NFKB1 pathway|NFKB2 pathway|PLAU pathway|EIF4G1 pathway|HIF1A pathway|MTOR pathway|RPS6 pathway|RPS6KB2 pathway|STAT3 pathway|SPDEF pathway|CCND1 pathway|MCL1 pathway|EIF2A pathway|PARP1 pathway|Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | DNA polymerase iota - Homo sapiens | DNA polymerase eta - Homo sapiens | Large T antigen - Simian virus 40 | Geminin - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus |Org= Plasmodium falciparum|Tyrosinase - Agaricus bisporus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens |Org= Hepatitis C virus|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus | Tyrosinase - Agaricus bisporus | Cytochrome P450 3A4 - Homo sapiens | Sphingomyelin phosphodiesterase - Homo sapiens | Carbonic anhydrase IX - Homo sapiens | Androgen Receptor - Homo sapiens | Carbonic anhydrase XIV - Homo sapiens | Xanthine dehydrogenase - Bos taurus | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Hypoxia-inducible factor 1 alpha - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Canalicular multispecific organic anion transporter 1 - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Carbonic anhydrase I - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Prelamin-A/C - Homo sapiens | Thrombin - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Microtubule-associated protein tau - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Carbonic anhydrase II - Homo sapiens | Thyroid stimulating hormone receptor - Homo sapiens | Cruzipain - Trypanosoma cruzi | Multidrug resistance-associated protein 1 - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Lysosomal alpha-glucosidase - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Carbonic anhydrase VA - Homo sapiens | Xanthine dehydrogenase - Homo sapiens | Carbonic anhydrase VB - Homo sapiens | Carbonic anhydrase VII - Homo sapiens | Carbonic anhydrase XIII - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | Carbonic anhydrase III - Homo sapiens | Carbonic anhydrase 15 - Mus musculus | Interleukin-8 - Homo sapiens | P-glycoprotein 3 - Mus musculus | Nuclear receptor subfamily 1 group I member 2 - Rattus norvegicus | Xanthine dehydrogenase/oxidase - Rattus norvegicus | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | Carbonic anhydrase IV - Homo sapiens | Carbonic anhydrase XII - Homo sapiens | Carbonic anhydrase VI - Homo sapiens |Org= Mus musculus | Staphylococcus aureus | Pseudomonas aeruginosa | Plasmodium falciparum | Proteus mirabilis |
Dis=Breast Cancer|Breast Adenocarcinoma|Ductal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Central Nervous System Cancers|Glioblastoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
31553 |
22888-70-6 |
COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O |
|
482.44000 |
C25H22O10 |
2.592 |
5 |
5 |
155.00 |
4.0 |
35 |
5 |
Silibinin, the main flavonoid extracted from the milk thistle Silybum marianum, displays hepatoprotective properties in acute and chronic liver injury. |
Silybin |
| Silymarin |
natural product |
Silybum marianum|Lycium chinense| |
Path=ERBB2 pathway|TP53 pathway|MYC pathway|SLC2A4 pathway|AKT1 pathway|TBC1D4 pathway|CASP3 pathway|LDHA pathway|PSA pathway|N/A|BCL2L1 pathway|MAPK14 pathway|MMP9 pathway|JUN pathway|MAP2K1 pathway|MAPK1 pathway|MAPK3 pathway|MAPK8 pathway|RAF1 pathway|CYCS pathway|EGFR pathway|IGF1R pathway|PTK2 pathway|VEGFA pathway|BID pathway|BIRC5 pathway|CASP8 pathway|CASP9 pathway|CFLAR pathway|TNFRSF10C pathway|DDIT3 pathway|TNFRSF10B pathway|FOS pathway|JUND pathway|MAPK9 pathway|MMP2 pathway|NFKB1 pathway|NFKB2 pathway|PLAU pathway|EIF4G1 pathway|HIF1A pathway|MTOR pathway|RPS6 pathway|RPS6KB2 pathway|STAT3 pathway|SPDEF pathway|CCND1 pathway|MCL1 pathway|EIF2A pathway|PARP1 pathway|Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | DNA polymerase iota - Homo sapiens | DNA polymerase eta - Homo sapiens | Large T antigen - Simian virus 40 | Geminin - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus |Org= Plasmodium falciparum|Tyrosinase - Agaricus bisporus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens |Org= Hepatitis C virus|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus | Tyrosinase - Agaricus bisporus | Cytochrome P450 3A4 - Homo sapiens | Sphingomyelin phosphodiesterase - Homo sapiens | Carbonic anhydrase IX - Homo sapiens | Androgen Receptor - Homo sapiens | Carbonic anhydrase XIV - Homo sapiens | Xanthine dehydrogenase - Bos taurus | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Hypoxia-inducible factor 1 alpha - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Canalicular multispecific organic anion transporter 1 - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Carbonic anhydrase I - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Prelamin-A/C - Homo sapiens | Thrombin - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Microtubule-associated protein tau - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Carbonic anhydrase II - Homo sapiens | Thyroid stimulating hormone receptor - Homo sapiens | Cruzipain - Trypanosoma cruzi | Multidrug resistance-associated protein 1 - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Lysosomal alpha-glucosidase - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Carbonic anhydrase VA - Homo sapiens | Xanthine dehydrogenase - Homo sapiens | Carbonic anhydrase VB - Homo sapiens | Carbonic anhydrase VII - Homo sapiens | Carbonic anhydrase XIII - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | Carbonic anhydrase III - Homo sapiens | Carbonic anhydrase 15 - Mus musculus | Interleukin-8 - Homo sapiens | P-glycoprotein 3 - Mus musculus | Nuclear receptor subfamily 1 group I member 2 - Rattus norvegicus | Xanthine dehydrogenase/oxidase - Rattus norvegicus | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | Carbonic anhydrase IV - Homo sapiens | Carbonic anhydrase XII - Homo sapiens | Carbonic anhydrase VI - Homo sapiens |Org= Mus musculus | Staphylococcus aureus | Pseudomonas aeruginosa | Plasmodium falciparum | Proteus mirabilis |
Dis=Breast Cancer|Breast Adenocarcinoma|Ductal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Central Nervous System Cancers|Glioblastoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
31553 |
22888-70-6 |
COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O |
|
482.44000 |
C25H22O10 |
2.592 |
5 |
5 |
155.00 |
4.0 |
35 |
5 |
Silymarin (Silybin B), a polyphenolic flavonoid extracted from the seeds of Silybum marianum or milk thistle, is used in the prevention and treatment of liver diseases and primary liver cancer. |
Silybin B |
| Tanshinone IIA |
natural product |
Salvia miltiorrhizae |Salvia digitaloides|Allochromatium minutissimum|Ritterella rubra|Deguelia hatschbachii|Euphorbia sancta|Glycyrrhiza triphylla|Euphorbia retusa|Stauntonia obovatifoliola|Asphodeline tenuior|Viburnum sieboldi|Notholaena dealbata|Agathosma thymifolia|Camptothecium lutescens|Senecio madagascariensis|Artemisia siversiana|Metzgeria pubescens|Salvia miltiorrhiza|Phallusia fumigata|Salvia przewalskii|Rhabdia lycioides|Streptomyces lateritius|Radix salviae|Dioscorea communis|Palmaria palmata|Delphinium cyphoplectrum|Peucedani radix|Cladonia bellidiflora|Angelica decursiva|Glycine falcata|Peucedanum praeruptorum|Picradeniopsis pringlei|Combretum indicum|Decachaeta ovatifolia|Pleurophycus gardneri|Hydrolithon reinboldii|Bothriocline longipes|Salvia karabachensis|Salvia sclarea|Vicia sativa|Uvaria klaineana|Iris hoogiana|Amentotaxus yunnanensis|Amaranthus hybr |
Path=BCL2 pathway|BIRC5 pathway|MYC pathway|RB1 pathway|SPI1 pathway|BAX pathway|CASP3 pathway|PARP1 pathway|N/A|CDK2 pathway|CDKN1B pathway|NPM1 pathway|ERBB2 pathway|TP53 pathway|BCL2L1 pathway|CCND1 pathway|STAT3 pathway|MCL1 pathway|CYCS pathway|ESR1 pathway|ESR2 pathway|PCNA pathway|MMP2 pathway|MMP9 pathway|PLAU pathway|RELA pathway|TIMP1 pathway|TIMP2 pathway|CASP8 pathway|IL8 pathway|JUND pathway|NFKB1 pathway|AKT1 pathway|AURKA pathway|CASP9 pathway|MTOR pathway|PIK3CA pathway|CDK1 pathway|CCNB1 pathway|RPS6K pathway|Gen=Lipase|Cholinesterase - Equus caballus | Androgen Receptor - Homo sapiens | Apoptotic protease-activating factor 1 - Homo sapiens | Regulator of G-protein signaling 4 - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Aldose reductase - Rattus norvegicus | Papain - Carica papaya | Acetylcholinesterase - Electrophorus electricus | Acetylcholinesterase - Homo sapiens | Prelamin-A/C - Homo sapiens | Nonstructural protein 1 - Influenza A virus | Aldehyde dehydrogenase 1A1 - Homo sapiens | SARS coronavirus 3C-like proteinase - SARS coronavirus | Geminin - Homo sapiens | Aldose reductase - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Protein-tyrosine phosphatase 1C - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Carboxylesterase 2 - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Protein-tyrosine phosphatase 2C - Homo sapiens | Serine/threonine-protein kinase PLK1 - Homo sapiens | Ferritin light chain - Equus caballus | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens | Histone acetyltransferase GCN5 - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | Lysine-specific demethylase 4A - Homo sapiens | Monoglyceride lipase - Homo sapiens | Telomerase reverse transcriptase - Homo sapiens | DNA polymerase kappa - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | Protease - Human immunodeficiency virus 1 | Acyl coenzyme A:cholesterol acyltransferase - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | Rap guanine nucleotide exchange factor 3 - Homo sapiens | Acyl-CoA synthase - Mycobacterium tuberculosis | Vitamin D receptor - Homo sapiens |Org= Plasmodium falciparum |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|multidrug-resistant CEM/ADR5001 leukemia|Acute Myeloid Leukemia|Acute Monocytic Leukemia |Acute Promyelocytic Leukemia|Bone Cancer|Osteosarcoma|Breast Cancer|Ductal Adenocarcinoma|Breast Adenocarcinoma|Central Nervous System Cancers|Glioma|Cervical Cancer|Cervical Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Kidney Cancer|kidney cancer|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Lung Epithelial Carcinoma|Ovarian Cancer|Murine Ovarian Cancer|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=Metabolism |
3D viewer |
Pubchem |
4M0E |
164676 |
568-72-9 |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
|
294.34000 |
C19H18O3 |
4.66 |
3 |
0 |
47.30 |
0.0 |
22 |
4 |
Tanshinone IIA(Tanshinone B) is the most abundant diterpene quinone in Danshen, Salviae miltiorrhizae Radix, a widely prescribed traditional herbal medicine that is used to treat cardiovascular and inflammatory diseases A natural monoacylglycerol lipase inhibitor. |
Tanshinone B |
| Isoliquiritigenin |
natural product |
Platymiscium floribundum|Herba sedi sarmentosi|Allium ascalonicum|Glycyrrhiza inflata|Rohdea chinensis|Cicer arietinum|Dalbergia stevensonii|Glycyrrhiza yunnanensis|Apis mellifera ligustica|Onobrychis viciifolia|Tephrosia toxicaria|Panicum miliaceum|Dalbergia sericea|Sophora tomentosa|Glycyrrhiza glabra|Caulis spatholobi|Robinia pseudoacacia|Glycyrrhiza uralensis|Dracaena draco|Muntingia calabura|Dalbergiae odoriferae lignum|Spatholobus suberectus|Boehmeriae rhizoma et radix|Hedysarum multijugum maxim|Polygonati rhizoma|Hedysari radix|Caulis millettiae|Lignum dalbergiae odoriferae rosewood|Wikstroemia viridiflora| |
Gen=Others|Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Cytochrome P450 2C19 - Homo sapiens | Pyruvate kinase - Leishmania mexicana | Pyruvate kinase isozymes M1/M2 - Homo sapiens | Cytochrome P450 2D6 - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Cytochrome P450 3A4 - Homo sapiens | Nuclear factor NF-kappa-B p105 subunit - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Cytochrome P450 1A2 - Homo sapiens| |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|ileocecal colorectal adenocarcinoma |Melanoma|Murine Melanoma|Gen=Others |
3D viewer |
Pubchem |
5YX4 1FP1 4RLU |
638278 |
961-29-5 |
C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O |
|
256.25000 |
C15H12O4 |
2.975 |
1 |
3 |
77.80 |
3.0 |
19 |
2 |
Isoliquiritigenin, an anti-tumor flavonoid from the root of Glycyrrhiza glabra, inhibits aldose reductase with an IC50 of 320 nM. |
N/A |
| Sophocarpine |
natural product |
Sophora flavescens|Eria anomala|Siphonaria capensis|Chondrodendron tomentosum|Epilobium hirsutum|Lycogala epidendrum|Shigella dysenteriae|Euphorbia nematocypha|Embelia schimperi|Baccharis neglecta|Aplophyllum alberti-regelii|Piper regnellii|Cordia leucocephala|Onopordum acanthium|Esenbeckia leiocarpa|Plathymenia reticulata|Gymnocalycium schickendantzii|Atraphaxis spinosa|Planchonia grandis|Helichrysum tenuifolium|Conus mus|Abelia chinensis|Dolabella californica|Hypericum styphelioides|Vernonia fagifolia|Rhinella marina|Monsonia senegalensis|Theonella conica|Haplophyllum obtusifolium|Lemaireocereus longispinus|Asimina parviflora|Ephedra sinica|Syzygium polycephaloides|Lythrum salicaria|Dendronephthya griffini|Centaurea maculosa|Latrunculia magnifica|Diospyros assimilis|Tricholoma columbetta|Morella rubra|Pteridium esculentum|Faramea salicifolia|Myxococcus stipitatus|Erysimum leptophyllum|Pancratium sickenbergeri|Erythrina melanacantha|Simarouba glauca|Vellozia nanuzae|Embelia parviflora| |
Gen=Others |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Esophageal and Esophagogastric Junction Cancers|Esophageal squamous cell carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
115269 |
6483-15-4 |
C1CC2CN3C(CC=CC3=O)C4C2N(C1)CCC4 |
|
246.35000 |
C15H22N2O |
1.394 |
1 |
0 |
23.60 |
0.0 |
18 |
4 |
Sophocarpine, a major ingredient of Sophora alopecuroides, has a wide range of pharmacological effects. |
N/A |
| Astragaloside A |
natural product |
Astragalus membranaceus|Penicillium glabrum|Xestospongia deweerdtae|Stachys bombycina|Darlingia ferruginea|Hunteria congolana|Astragalus mongholicus|Hedysarum polybotrys|Usnea pectinata |
Gen=Calcium Channel|Org=Hepatitis B virus | Duck hepatitis B virus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-Hodgkin's Lymphomas|Chronic Lymphocytic Leukemia|Gen=Transmembrane Transporters |
3D viewer |
Pubchem |
|
13943299 |
83207-58-3 |
CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(CO8)O)O)O)C |
|
784.97000 |
C41H68O14 |
-0.348 |
5 |
8 |
228.00 |
7.0 |
55 |
8 |
Astragaloside A (Astragaloside IV) is the primary pure saponin isolated from Astragalus membranaceus, which has been widely used for the treatment of cardiovascular diseases. |
N/A |
| Gambogic Acid |
natural product |
Garcinia hanburyi|Garcinia hanburryi|Croton discolor| |
Path=BCL2 pathway|BCL2L1 pathway|BIRC2 pathway|BIRC3 pathway|CCND1 pathway|ICAM1 pathway|MMP9 pathway|MYC pathway|PTGS2 pathway|RELA pathway|TRAF1 pathway|VEGFA pathway|CDC2 pathway|CDK1 pathway|CKD7 pathway|MAPK14 pathway|MAPK8 pathway|Gen=Bcl-2,Caspase|Cruzipain - Trypanosoma cruzi | Arachidonate 15-lipoxygenase - Homo sapiens | Arachidonate 15-lipoxygenase, type II - Homo sapiens | Vitamin D receptor - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | 78 kDa glucose-regulated protein - Homo sapiens | Ferritin light chain - Equus caballus | Nuclear receptor ROR-gamma - Mus musculus | Histone acetyltransferase GCN5 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Survival motor neuron protein - Homo sapiens|Acetylcholinesterase - Electrophorus electricus | Thioredoxin, mitochondrial - Homo sapiens | Inhibitor of nuclear factor kappa B kinase beta subunit - Homo sapiens | Thioredoxin - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Induced myeloid leukemia cell differentiation protein Mcl-1 - Homo sapiens | Cholinesterase - Equus caballus |Org= Staphylococcus aureus |
Dis=Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Human umbilical vein endothelial cell|Non-small Cell Lung Cancer|Lewis Lung carcinoma |Gen=Apoptosis |
3D viewer |
Pubchem |
|
9852185 |
2752-65-0 |
CC(=CCCC1(C=CC2=C(O1)C(=C3C(=C2O)C(=O)C4=CC5CC6C4(O3)C(C5=O)(OC6(C)C)CC=C(C)C(=O)O)CC=C(C)C)C)C |
|
628.75000 |
C38H44O8 |
6.957 |
6 |
1 |
119.00 |
8.0 |
46 |
4 |
Gambogic Acid activates caspases with EC50 of 0.78-1.64 &muM and competitively inhibits Bcl-XL, Bcl-2, Bcl-W, Bcl-B, Bfl-1 and Mcl-1 with IC50 of 1.47, 1.21, 2.02, 0.66, 1.06 and 0.79 &muM, respectively. |
Guttatic Acid, Guttic Acid |
| Schisandrin B (Sch B) |
natural product |
Schisandra chinensis|Schisandra fructus|Kadsura coccinea|Tripterygium wilfordii|Glycyrrhiza glabra|Schisandra rubriflora|Nicotiana undulata|Coreopsis nodosa|Streptomyces flocculus|Glycine tomentella|Tripolium pannonicum|Haematococcus lacustris|Senecio paludaffinis|Panax schinseng|Saccharomyces pastori|Hypoxylon rubiginosum|Tachigalia paniculata|Trigonella grandiflora|Pterocladiella tenuis|Uvaria calamistrata|Alstonia muelleriana|Passiflora incarnata|Dacrydium cupressinum|Artemisia cina|Tripterygii radix|Kadsurae coccineae radix et caulis|Schisandra sphenanthera| |
Path=ATM pathway|ATR pathway|ATRIP pathway|PIK3CA pathway|MTOR pathway|BRCA1 pathway|CHEK1 pathway|SMC1A pathway|TP53 pathway|MAPK1 pathway|MAPK3 pathway|Gen=ATM/ATR,P-gp|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus|Multidrug resistance-associated protein 1 - Homo sapiens | DNA-dependent protein kinase - Homo sapiens | Serine-protein kinase ATM - Homo sapiens | Serine-protein kinase ATR - Homo sapiens|Org=Human immunodeficiency virus |
Dis=Breast Cancer|Ductal Adenocarcinoma|Breast Carcinoma|Chronic Myelogenous Leukemia|Head and Neck Cancers|epidermoid carcinoma of the nasopharynx|Hepatobiliary Cancer|Hepatocellular Carcinoma|Kidney Cancer|Embryonic Kidney Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=PI3K/Akt/mTOR |
3D viewer |
Pubchem |
|
108130 |
61281-37-6 |
CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)OC)OC)OCO3 |
|
400.46000 |
C23H28O6 |
5.067 |
6 |
0 |
55.40 |
4.0 |
29 |
4 |
Schisandrin B is the most abundant dibenzocyclooctadiene lignan present in the traditional Chinese medicinal herb Schisandra chinensis (Turcz.) Baill. It is a kind of ATR and P-gp inhibitor with high safety. |
N/A |
| Tectoridin |
natural product |
Pueraria thunbergiana|Pueraria montana var. thomsonii|Amorphinopsis foetida|Codonopsis radix|Puerariae flos|Iridis tectori rhizoma|Belamcandae rhizome|Iris domestica|Iris tectorum|Psammosilene tunicoides|Pueraria montana var. lobata|Belamcanda chinensis|Polygonatum odoratum|Maackia amurensis|Iris dichotoma|Astragalus wiedemannianus|Cochlospermum tinctorium|Bertya dimerostigma|Delphinium barbeyi|Asterias rathbuni|Fomes fastuosus |
Gen=Others |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Gen=Others |
3D viewer |
Pubchem |
|
5281810 |
611-40-5 |
COC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O |
|
462.40000 |
C22H22O11 |
0.194 |
5 |
6 |
175.00 |
5.0 |
33 |
4 |
Tectoridin, an isoflavone isolated from flowers of Pueraria thunbergiana, has several pharmacological effects including anti-cancer, anti-inflammatory, antioxidant, and hepatoprotectivy. |
Shekanin |
| Schizandrol A |
natural product |
Schisandra chinensis|Schisandra fructus|Lagerstroemia indica|Schisandra sphenanthera|Schisandra rubriflora|Croton megistocarpus|Kadsura angustifolia|schisandra sphenathera|Trigonella foenum-graecum|Schisandra neglecta|Cacospongia scalaris|Baphicacanthus cusia|Persea kusanoi|Senecio isatideus|Geranium sibiricum |
Path=CCNA1 pathway|CCNB1 pathway|CCND1 pathway|CDK4 pathway|CDKN1A pathway|CDKN1B pathway|Gen=Others|Multidrug resistance-associated protein 1 - Homo sapiens | Nonstructural protein 1 - Influenza A virus |Org= Artemia salina | Human immunodeficiency virus 1 | Plasmodium falciparum |
Dis=Breast Cancer|Ductal Adenocarcinoma|Breast Carcinoma|Central Nervous System Cancers|Glioma|Cervical Cancer|Cervical Carcinoma Papilloma |Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|epidermoid carcinoma of the nasopharynx|Hepatobiliary Cancer|Hepatocellular Carcinoma|Neuroendocrine Tumors|Pheochromocytoma|Gen=Others |
3D viewer |
Pubchem |
|
23915 |
7432-28-2 |
CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)OC)OC)OC)OC)OC)OC |
|
432.51000 |
C24H32O7 |
4.05 |
6 |
0 |
75.60 |
6.0 |
31 |
3 |
Schizandrol A is one of the effective components in the dried fruit of Schizandra chinensis Bail and works by increasing dopamine, a neurotransmitter, in the brain. |
N/A |
| Glycitin |
natural product |
Pueraria thunbergiana|Glycine max|Semen sojae praeparata|Semen sojae |
Gen=Others|Survival motor neuron protein - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | ATPase family AAA domain-containing protein 5 - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Gen=Others |
3D viewer |
Pubchem |
|
187808 |
40246-10-4 |
COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O |
|
446.40000 |
C22H22O10 |
0.436 |
5 |
5 |
155.00 |
5.0 |
32 |
4 |
Glycitin, a natural isoflavone isolated from legumes, has antibacterial, antiviral and estrogenic activities and may exerts preventative effects on alcoholism, cardiovascular and cerebrovascular diseases and some types of cancer. |
Glycitein-7-?-O-glucoside |
| Carnosic acid |
natural product |
Rosmarinus officinalis|Chamaemelum fuscatum|Isodon adenolomus|Salvia officinalis|Achyrocline bogotensis|Tylophora atrofolliculata|Caria ino|Verbesina virgata|Dasymaschalon blumei|Penicillium pedemontanum|Cetraria ciliaris|Alstonia yunnanensis|Acer pictum subsp. okamotoanum|Protoparmeliopsis peltata|Doriopsilla areolata|Dalea versicolor|Sideritis cystosiphon|Senecio fuertesii|Scutellaria albida|Pholiota adiposa|Felimare midatlantica|Aspilia hispida|Blepharisma japonicum|Arthropsis truncata|Stachys tuberifera|Thymus quinquecostatus|Thymus vulgaris|Exodermis poria |
Gen=ROS|Protease - Human immunodeficiency virus 1 | Microtubule-associated protein tau - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Arachidonate 12-lipoxygenase - Homo sapiens | Vitamin D receptor - Homo sapiens | Ferritin light chain - Equus caballus | Arachidonate 15-lipoxygenase, type II - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | Pancreatic lipase - Homo sapiens | Prostaglandin E synthase - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis |Org= Human immunodeficiency virus 1 |
Dis=Acute Myeloid Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
|
65126 |
3650-09-7 |
CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)O |
|
332.43000 |
C20H28O4 |
4.905 |
1 |
2 |
77.80 |
2.0 |
24 |
3 |
Carnosic acid is a phenolic diterpene, endowed with antioxidative and antimicrobial properties. It is increasingly used within food, nutritional health and cosmetics industries. |
salvin |
| (E)-Cardamoni |
natural product |
Polygonum limbatum|Amomum subulatum|Boesenbergia pandurata|Matsucoccus josephi|Podocarpus macrophyllus|Lactarius mitissimus|Alpinia speciosa|Bethencourtia palmensis|Lemonia spectabilis|Alpinia katsumadai hayat|Alpinia katsumadai|Esox lucius|Kaempferia pandurata|Etlingera elatior|Salix rosmarinifolia|Mentzelia decapetala|Petunia axillaris subsp. parodii|Xylopia emarginata|Salvia patens|Sphaeria rousseliana|Pulsatilla chinensis|Parmotrema nilgherrense|Lepechinia urbanii|Nepytia freemani|Helleborus macranthus|Erythrina hypaphorus|Centaurea scoparia|Mucuna holtonii|Drymaria cordata|Aniba santalodora|Cynoglossum macrostylum|Euphorbia hylonoma|Quercus marilandica|Lonchocarpus chiricanus|Dialium excelsum|Salvia virgata|Hardenbergia violacea|Boswellia ovalifoliolata|Etmopterus spinax|Iris kashmiriana|Maclura cochinchinensis|Rubia akane|Dysidea fragilis|Pterocaulon serrulatum|Thalassiosira weissflogii|Podocarpus dacrydioides|Beilschmiedia madang|Campanula choziatowskyi|Salvia lavanduloides|Colchicum filifolium|Orgyia pseudotsugata|Matricaria sabulosa|Astragalus circassicus|Preussia terricola|Amorphophallus konjac|Centaurea sonchifolia|Senecio platyphylloides|Mimosa pigra|Heliotropium scabrum|Gaillardia coahuilensis |
Path=BCL2 pathway|TNFRSF10C pathway|XIAP pathway|TNFRSF10A pathway|TNFRSF10B pathway|TNFSF10 pathway|Gen=NF-?B,Calcium Channel|Gen=NF-?B,Calcium Channel|Neuropeptide S receptor - Homo sapiens | DNA polymerase iota - Homo sapiens | Geminin - Homo sapiens | Ataxin-2 - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Microtubule-associated protein tau - Homo sapiens | Protease - Human immunodeficiency virus 1 | Dengue virus type 2 NS3 protein - Dengue virus type 2 (strain Thailand/16681/1984) (DENV-2) | Lysine-specific demethylase 4A - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | Voltage-gated potassium channel subunit Kv1.3 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus |Org= Plasmodium falciparum |
Dis=Acute Myeloid Leukemia|Acute Monocytic Leukemia |Colorectal Cancer|Colorectal Adenocarcinoma|Gen=NF-?B |
3D viewer |
Pubchem |
|
641785 |
19309-14-9 |
COC1=CC(=CC(=C1C(=O)C=CC2=CC=CC=C2)O)O |
|
270.28000 |
C16H14O4 |
3.201 |
2 |
2 |
66.80 |
4.0 |
20 |
2 |
Cardamonin is a naturally occurring chalcone with strong anti-inflammatory activity. It is a novel TRPA1 antagonist with IC50 of 454 nM and also a NF-kB inhibitor. |
Alpinetin chalcone, cardamomin |
| Sophoridine |
natural product |
Sophora flavescens|Planchonia grandis|Plathymenia reticulata|Syzygium polycephaloides|Pteridium esculentum|Abelia chinensis|Siphonaria capensis|Lycogala epidendrum|Sophorae tonkinensis radix et rhizome|Lemaireocereus longispinus|Embelia schimperi|Cordia leucocephala|Sophorae flavescentis radix|Latrunculia magnifica|Eria anomala|Sophora tonkinensis|Asimina parviflora|Erythrina melanacantha|Hypericum styphelioides|Myxococcus stipitatus|Theonella conica|Morella rubra|Faramea salicifolia|Chondrodendron tomentosum|Conus mus|Vellozia nanuzae|Monsonia senegalensis|Piper regnellii|Pancratium sickenbergeri|Onopordum acanthium|Rhinella marina|Helichrysum tenuifolium|Clerodendrum bungei|Embelia parviflora|Esenbeckia leiocarpa|Shigella dysenteriae|Simarouba glauca|Diospyros assimilis|Baccharis neglecta|Gymnocalycium schickendantzii|Centaurea maculosa|Lythrum salicaria|Tricholoma columbetta|Vernonia fagifolia|Dendronephthya griffini|Aplophyllum alberti-regelii|Haplophyllum obtusifolium|Euphorbia nematocypha|Dolabella californica|Erysimum leptophyllum|Epilobium hirsutum|Ephedra sinica|Sophora alopecuroides| |
Path=EIF4E pathway|N/A|MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|CASP3 pathway|FAS pathway|FASLG pathway|Gen=Others|Gen=Opioid Receptor|Org=Hepatitis B virus|Histone acetyltransferase GCN5 - Homo sapiens |Org= Plasmodium falciparum|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus |Org= Hepatitis B virus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioma|Chronic Myelogenous Leukemia|Esophageal and Esophagogastric Junction Cancers|Esophageal squamous cell carcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
165549 |
6882-68-4 |
C1CC2C3CCCN4C3C(CCC4)CN2C(=O)C1 |
|
248.36000 |
C15H24N2O |
1.417 |
1 |
0 |
23.60 |
0.0 |
18 |
4 |
Sophoridine, a natural product obtained from medicinal plants, has a variety of pharmacological effects, including anti-cancer and anti-arrhythmia, and affects the immune and central nervous systems. |
5-Epidihydrosophocarpine, Dihydro-5-episophocarpine |
| Astragaloside IV |
natural product |
Astragalus membranaceus|Penicillium glabrum|Xestospongia deweerdtae|Stachys bombycina|Darlingia ferruginea|Hunteria congolana|Astragalus mongholicus|Hedysarum polybotrys|Usnea pectinata |
Gen=Others|Gen=Calcium Channel|Org=Hepatitis B virus | Duck hepatitis B virus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-Hodgkin's Lymphomas|Chronic Lymphocytic Leukemia|Gen=Others |
3D viewer |
Pubchem |
|
13943297 |
84687-43-4 |
CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(CO8)O)O)O)C |
|
784.97000 |
C41H68O14 |
-0.348 |
5 |
8 |
228.00 |
7.0 |
55 |
8 |
Astragaloside IV is a bioactive saponin first isolated from the dried plant roots of the genus Astragalus, which is used in traditional Chinese medicine. It has various effect on the cardiovascular, immune, digestive, and nervous systems. |
AST-IV, AS-IV |
| Ursonic acid |
natural product |
Myrica rubra|Ficus microcarpa|Strophanthus sarmentosus var. senegambiae|Daphne aurantiaca| |
Gen=Others|Protease - Human immunodeficiency virus 1 | Cytochrome P450 19A1 - Homo sapiens | Glycogen phosphorylase, muscle form - Oryctolagus cuniculus | Cathepsin D - Homo sapiens |Org= Aspergillus niger | Human herpesvirus 1 | Escherichia coli | Pseudomonas fluorescens | Human herpesvirus 2 |
Dis=Acute Myeloid Leukemia|Basophilic Leukemia|Cervical Cancer|Cervical Carcinoma Papilloma |Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|Nasopharyngeal carcinoma|Gen=Others |
3D viewer |
Pubchem |
1N4F |
9890209 |
6246-46-4 |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1C)C)C(=O)O |
|
454.68000 |
C30H46O3 |
6.593 |
2 |
0 |
54.40 |
1.0 |
33 |
5 |
Ursonic acid, present in many plants, is a pentacyclic triterpenoid that can be used as a cosmetics additive and serve as a starting material for synthesis of more potent bioactive derivatives, such as experimental antitumor agents. |
Prunol, Malol, beta-Ursolic acid, NSC4060, CCRIS 7123, TOS-BB-0966, 3-beta-hydroxyurs-12-en-28-oic acid |
| (-)-Epicatechin gallate |
natural product |
Diospyros kaki|Prunus persica|Rheum officinale|Rheum palmatum|Rheum tanguticum|Camellia sinensis|Crataegus pinnatifida|Cynomorium songaricum|Nelumbo nucifera|Balanophora involucrata|Drechslera avenae|Peltostigma guatemalense|Cerinthe minor| |
Path=ODC1 pathway|Apoptosis regulator Bcl-2 - Homo sapiens |Org= Plasmodium falciparum (isolate FcB1 / Columbia)|3-oxoacyl-acyl-carrier protein reductase - Plasmodium falciparum | 6-phosphogluconate dehydrogenase - Homo sapiens | Glucose-6-phosphate 1-dehydrogenase - Saccharomyces cerevisiae S288c | Fatty acid synthase - Plasmodium falciparum | Enoyl-acyl-carrier protein reductase - Plasmodium falciparum | Beta-secretase 1 - Homo sapiens |Org= Plasmodium falciparum|Dihydrofolate reductase - Homo sapiens | 3-oxoacyl-acyl-carrier protein reductase - Plasmodium falciparum | Enoyl-[acyl-carrier-protein] reductase - Escherichia coli K-12 | MAP kinase p38 alpha - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Apoptosis regulator Bcl-2 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Death-associated protein kinase 1 - Homo sapiens | Fatty acid synthase - Gallus gallus | Human immunodeficiency virus type 1 reverse transcriptase - Human immunodeficiency virus 1 | Serum albumin - Homo sapiens |Org= Staphylococcus aureus | Plasmodium falciparum | Neofusicoccum luteum | Diplodia seriata | Human immunodeficiency virus 1 |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Gen=Others |
3D viewer |
Pubchem |
6DHL |
107905 |
1257-08-5 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
|
442.37000 |
C22H18O10 |
3.339 |
3 |
7 |
177.00 |
4.0 |
32 |
4 |
Epigallocatechin gallate (EGCG), also known as epigallocatechin-3-gallate, is the ester of epigallocatechin and gallic acid, and is a type of catechin with anti-inflammatory effects. |
(?)-ECG, (?)-Epicatechin 3-gallate, (?)-Epicatechin-3-O-gallate |
| Liquiritigenin |
natural product |
Platymiscium floribundum|Sargassum pallidum|Glycyrrhiza inflata|Dalbergia odorifera|Sophora flavescens|Epimedium koreanum|Spatholobus suberectus|Glycyrrhiza glabra|Robinia pseudoacacia|Glycyrrhiza uralensis|Cicer arietinum |
Gen=Estrogen/progestogen Receptor |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Colorectal Cancer|ileocecal colorectal adenocarcinoma |Melanoma|Murine Melanoma|Gen=Endocrinology & Hormones |
3D viewer |
Pubchem |
1FM7 1JX1 1JX0 |
114829 |
578-86-9 |
C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O |
|
256.25000 |
C15H12O4 |
2.615 |
2 |
2 |
66.80 |
1.0 |
19 |
3 |
Liquiritigenin, the most active estrogenic compound from the root of Glycyrrhizae uralensis Fisch, selectively binds to ER? with an IC50 value of 7.5 ?M and activates multiple ER regulatory elements and native target genes with Er? but not ER?. |
4',7-Dihydroxyflavanone |
| Cardamonin |
natural product |
Polygonum limbatum|Amomum subulatum|Boesenbergia pandurata|Matsucoccus josephi|Podocarpus macrophyllus|Lactarius mitissimus|Alpinia speciosa|Bethencourtia palmensis|Lemonia spectabilis|Alpinia katsumadai hayat|Alpinia katsumadai|Esox lucius|Kaempferia pandurata|Etlingera elatior|Salix rosmarinifolia|Mentzelia decapetala|Petunia axillaris subsp. parodii|Xylopia emarginata|Salvia patens|Sphaeria rousseliana|Pulsatilla chinensis|Parmotrema nilgherrense|Lepechinia urbanii|Nepytia freemani|Helleborus macranthus|Erythrina hypaphorus|Centaurea scoparia|Mucuna holtonii|Drymaria cordata|Aniba santalodora|Cynoglossum macrostylum|Euphorbia hylonoma|Quercus marilandica|Lonchocarpus chiricanus|Dialium excelsum|Salvia virgata|Hardenbergia violacea|Boswellia ovalifoliolata|Etmopterus spinax|Iris kashmiriana|Maclura cochinchinensis|Rubia akane|Dysidea fragilis|Pterocaulon serrulatum|Thalassiosira weissflogii|Podocarpus dacrydioides|Beilschmiedia madang|Campanula choziatowskyi|Salvia lavanduloides|Colchicum filifolium|Orgyia pseudotsugata|Matricaria sabulosa|Astragalus circassicus|Preussia terricola|Amorphophallus konjac|Centaurea sonchifolia|Senecio platyphylloides|Mimosa pigra|Heliotropium scabrum|Gaillardia coahuilensis |
Path=BCL2 pathway|TNFRSF10C pathway|XIAP pathway|TNFRSF10A pathway|TNFRSF10B pathway|TNFSF10 pathway|Gen=Calcium Channel|Gen=NF-?B,Calcium Channel|Neuropeptide S receptor - Homo sapiens | DNA polymerase iota - Homo sapiens | Geminin - Homo sapiens | Ataxin-2 - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Microtubule-associated protein tau - Homo sapiens | Protease - Human immunodeficiency virus 1 | Dengue virus type 2 NS3 protein - Dengue virus type 2 (strain Thailand/16681/1984) (DENV-2) | Lysine-specific demethylase 4A - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | Voltage-gated potassium channel subunit Kv1.3 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus |Org= Plasmodium falciparum |
Dis=Acute Myeloid Leukemia|Acute Monocytic Leukemia |Colorectal Cancer|Colorectal Adenocarcinoma|Gen=Transmembrane Transporters |
3D viewer |
Pubchem |
|
641785 |
18956-16-6 |
COC1=CC(=CC(=C1C(=O)C=CC2=CC=CC=C2)O)O |
|
270.28000 |
C16H14O4 |
3.201 |
2 |
2 |
66.80 |
4.0 |
20 |
2 |
Cardamonin, isolated from the fruits of Alpinia species, is a chalconoid with anti-inflammatory and anti-tumor activity. It has been shown to be a novel antagonist of hTRPA1 cation channel with IC50 of 454 nM while does not interact with TRPV1 nor TRPV4 channel. |
Alpinetin chalcone |
| Caryophyllene oxide |
natural product |
Satureja hortensis|Satureja montana|Pogostemon cablin|Citrus aurantium|Schizonepeta tenuifolia|Citrus maxima|Radix salviae|Schizonepeta tenuisfolia|Citrus reticulata|Acorus calamus|Scutellaria barbata|Citrus unshiu|Agastache rugosa|Thymus quinquecostatus|Curcuma kwangsiensis|Agrimonia pilosa|Thymus vulgaris|Curcuma longa|Akebia quinata|Valeriana jatamansi|Curcuma phaeocaulis|Akebia trifoliata|Vitex negundo|Curcuma wenyujin|Alpinia oxyphylla|Dolomiaea souliei|Curcuma zedoaria|Angelica acutiloba|Zanthoxylum bungeanum|Vincetoxicum glaucescens|Hypericum perforatum|Angelica gigas|Zanthoxylum piperitum|Cynanchum stauntoni|Illicium verum|Angelica sinensis|Zanthoxylum schinifolium|Vincetoxicum stauntonii|Cyperus rotundus|Inula helenium|Aquilaria agallochum|Zingiber officinale|Daucus carota|Laggera pterodonta|Aquilaria sinensis|Ziziphus jujuba|Elsholtzia ciliata|Leonurus japonicus|Arnebia euchroma|Syzygium aromaticum|Lithospermum erythrorhizon|Arnebia guttata|Foeniculum vulgare|Litsea cubeba|Artemisia annua|Glehnia littoralis|Lobelia chinensis|Artemisia apiacea|Artemisia argyi|Houttuynia cordata|Lonicera japonica|Artemisia capillaris|Humulus lupulus|Magnolia obovata|Artemisia montana|Magnolia officinalis|Artemisia princeps|Melia azedarach|Atractylodes chinensis|Melia azedarach var. toosendan|Mentha arvensis|Atractylodes lancea|Mentha canadensis|Atractylodes macrocephala|Mosla chinensis|Saussurea costus|Murraya exotica|Bupleurum chinense|Murraya paniculata|Bupleurum falcatum|Perilla frutescens|Bupleurum scorzonerifolium|Pinellia ternata|Senna alexandrina|Piper cubeba|Chrysanthemum indicum|Piper nigrum|Ginkgo biloba|Afrocarpus gracilior| |
Gen=Others|Cytochrome P450 2C19 - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens|Cruzipain - Trypanosoma cruzi|Org=Giardia intestinalis | Entamoeba histolytica |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Gen=Others |
3D viewer |
Pubchem |
|
1742210 |
1139-30-6 |
CC1(CC2C1CCC3(C(O3)CCC2=C)C)C |
|
220.35000 |
C15H24O |
3.519 |
1 |
0 |
12.50 |
0.0 |
16 |
3 |
Caryophyllene oxide, an oxygenated terpenoid existed in many plant essential oil, is well known as preservative in food, drugs and cosmetics with anti-inflammatory, anti-carcinogenic and skin penetration enhancing properties. |
N/A |
| Wogonin |
natural product |
Scutellaria baicalensis|Bupleurum scorzonerifolium|Medicosma cunninghamii|Physalis minima|Scutellariae barbatae herba|Scutellaria barbata|Phellodendri amurensis cortex|Anodendron affine|Scutellaria epilobifolia|Dictamni cortex|Arachis hypogaea|Scutellaria viscidula|Forsythiae fructus|Scutellariae radix|Plantago major|Andrographis herba|Scutellaria hypericifolia|Oroxyli semen|Senecio speciosus|Atractylodes lancea|Achyranthis bidentatae radix|Prunus persica|Phellodendron chinense|Astragalus membranaceus|Vincetoxicum amplexicaule|Scutellaria rehderiana|Astragalus mongholicus|Coptis chinensis|Scutellaria lateriflora|Oroxylum indicum|Coptis deltoidea|Coptis japonica|Dioscorea tokoro|Bupleurum chinense|Coptis teeta|Crambe hispanica subsp. abyssinica|Scutellaria balcalensis|Dictamnus dasycarpus|Utricularia vulgaris|Andrographis paniculata|Eucommia ulmoides|Uvaria acuminata|Scutellaria likiangensis|Gardenia jasminoides|Helichrysum lindleyi|Saposhnikovia divaricata|Caesalpinia tinctoria|Cusparia macrocarpa|Eunicea knighti|Andropogon jwarancusa|Chromodoris hamiltoni|Sophora japonica|Anthemis auriculata|Clathrotropis brachypetala|Parinari campestris|Petrosimonia monandra|Undaria pinnatifida|Euphorbia sapinii|Stellaria dichotoma|Stellaria dichotoma var. lanceolata|Scutellaria amoena|Stizophyllum riparium|Dalbergia nigra|Kopsia hainanensis|Kalmia latifolia |
Path=ABCB5 pathway|AR pathway|Gen=CDK,Transferase|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus | Chromobox protein homolog 1 - Homo sapiens | Cyclooxygenase-2 - Mus musculus | Mothers against decapentaplegic homolog 3 - Homo sapiens | Rap guanine nucleotide exchange factor 3 - Homo sapiens | Geminin - Homo sapiens | Xanthine dehydrogenase - Bos taurus | Beta-2 adrenergic receptor - Homo sapiens | Serotonin 7 (5-HT7) receptor - Homo sapiens | Glutaminase kidney isoform, mitochondrial - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Avian myoblastosis virus polyprotein II - Avian myeloblastosis virus | 6-phospho-1-fructokinase - Trypanosoma brucei | Nitric oxide synthase, inducible - Mus musculus | Cyclooxygenase-2 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens |Org= Spodoptera litura | Hepatitis B virus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Lung Epithelial Carcinoma|Squamous Celll Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|Gen=Cell Cycle |
3D viewer |
Pubchem |
6F6A |
5281703 |
632-85-9 |
COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O |
|
284.26000 |
C16H12O5 |
2.636 |
3 |
2 |
76.00 |
2.0 |
21 |
3 |
Wogonin, a natural and biologically-active flavonoid found in plants, is an inhibitor of CDK9 and does not inhibit CDK2, CDK4 and CDK6 at doses that inhibit CDK9 activity Also inhibits N-acetyltransferase. |
Vogonin |
| p-Coumaric Acid |
natural product |
Plantago major|Rhodiola sachalinensis|Ranunculus ternatus|Aristolochia debilis|Cremastra appendiculata|Lycium barbarum|Rhododendron dauricum|Carthamus tinctorius|Eucommia ulmoides|Imperata cylindrica|Citrus reticulata|Toxicodendron vernicifluum|Centella asiatica|Ginkgo biloba|Fagopyrum dibotrys|Rosa chinensis|Chelidonium majus|Hippophae rhamnoides|Taraxacum mongolicum|Rosa rugosa|Cirsium japonicum|Inula britannica|Boehmeria nivea|Rubus chingii|Citrus aurantium|Inula japonica|Juglans regia|Notopterygium incisum|Rubus coreanus|Lilium brownii|Polygonum orientale|Rumex chalepensis|Citrus unshiu|Lilium lancifolium|Phragmites communis|Rumex japonicus|Commelina communis|Lilium pumilum|Oryza sativa|Schisandra chinensis|Cornus officinalis|Linum usitatissimum|Arum ternatum thunb|Scrophularia buergeriana|Lonicera japonica|Lycii fructus|Scrophularia ningpoensis|Luffa aegyptiaca|Selaginella doederleinii hieron|Scutellaria barbata|Hedysarum multijugum maxim|Senecio scandens|Lycium chinense|Notopterygii rhizoma et radix|Solanum nigrum|Melia azedarach|Rhizoma fagopyri cymosi|Sparganium stoloniferum|Melia azedarach var. toosendan|Broussonetiae fructus|Styrax benzoin|Morus alba|Curcumae radix|Styrax tonkinensis|Morus bombycis|Eucommiae cortex|Nardostachys jatamansi|Persicae semen|Nelumbo nucifera|Taraxacum borealisinense|Flos genkwa|Oldenlandia diffusa|Taraxacum coreanum|Eleutherococcus senticosus|Ipomoea nil|Aconitum carmichaelii|Ipomoea purpurea|Taraxacum officinale|Aconitum japonicum|dracocephalum ruyschiana|Pleione bulbocodioides|Taraxacum platycarpum|Albizia julibrissin|Epimedium sagittatum|Pleione yunnanensis|Thymus quinquecostatus|Allium sativum|Coix lacryma-jobi|Polygonum cuspidatum|Thymus vulgaris|Aloe africana|Vigna angularis|Aloe vera|Rhodiola rosea|Fallopia multiflora|Vigna umbellata|Aloe ferox|Persicaria orientalis|Vigna umbeuata|Aloe spicata|Prunella vulgaris|Portulaca oleracea|Ziziphus jujuba|Alcea rosea|Aristolochia contorta|Phyllostachys nigra|Punica granatum |
Gen=Anti-infection |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Melanoma|Murine Melanoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Gen=Microbiology |
3D viewer |
Pubchem |
KQ2 4E1U 1Y6S 1IHH |
637542 |
501-98-4 |
C1=CC(=CC=C1C=CC(=O)O)O |
|
164.16000 |
C9H8O3 |
1.685 |
1 |
1 |
57.50 |
2.0 |
12 |
1 |
p-Coumaric acid is a hydroxy derivative of cinnamic acid found in a variety of edible plants and is reported to have antioxidant, anti-inflammatory, and antimicrobial activity. |
4-Hydroxycinnamic acid, P-Hydroxycinnamic acid, 4-Coumaric acid, Trans-p-Coumaric acid, para-Coumaric Acid |
| Oleuropein |
natural product |
Olea europaea|Syringa reticulata|Euodia bodinieri|Euodia officinalis|Euodia ruticarpa|Tetradium ruticarpum|Fraxinus chinensis|Fraxinus chinensis subsp. rhynchophylla|Fraxinus stylosa|Fraxinus szaboana |
Gen=ROS|Arachidonate 5-lipoxygenase - Homo sapiens |Org= Verticillium dahliae |
Dis=Acute Myeloid Leukemia|Erythroleukemia|Bladder Cancer|Transitional Cell Carcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Kidney Cancer|Renal Cell Adenocarcinoma|Melanoma|malignant melanoma|Soft Tissue Sarcoma|Sarcoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
|
5281544 |
32619-42-4 |
CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC(=C(C=C3)O)O |
|
540.51000 |
C25H32O13 |
0.166 |
7 |
6 |
202.00 |
11.0 |
38 |
3 |
Oleuropein is an antioxidant polyphenol isolated from olive leaf. Phase 2. |
N/A |
| Xanthohumol |
natural product |
Humulus lupulus|Abelia chinensis|Hoffmannia strigillosa|Artemisia dentata|Vellozia nanuzae|Faramea salicifolia|Dendronephthya griffini|Piper regnellii|Buddleja cordata|Prorocentrum micans|Gymnocalycium schickendantzii|Rapanea lancifolia|Theonella conica|Lythrum salicaria|Syncarpia hillii|Centaurea maculosa|Latrunculia magnifica|Rhinella marina|Asimina parviflora|Helichrysum tenuifolium|Morella rubra|Lemaireocereus griseus|Ephedra sinica|Syzygium polycephaloides|Erysimum leptophyllum|Pteridium esculentum|Myxococcus stipitatus|Onopordum acanthium|Atalantia racemosa|Sophora flavescens|Lemaireocereus longispinus|Baccharis neglecta|Millettia erythrocalyx|Atraphaxis spinosa|Xenoacremonium recifei|Aplophyllum alberti-regelii|Negombata magnifica|Cordia leucocephala|Conus mus|Dolabella californica|Scorzonera pseudodivaricata|Buphane fischeri|Crambe tatarica|Simarouba glauca|Monsonia senegalensis|Shigella dysenteriae|Embelia schimperi|Alkanna cappadocica|Clerodendrum bungei|Diospyros eriantha|Plathymenia reticulata|Chondrodendron tomentosum|Lycogala epidendrum|Epilobium hirsutum|Haplophyllum obtusifolium|Ononis vaginalis|Hypericum styphelioides|Eria anomala|Tricholoma columbetta|Pteris semipinnata|Euphorbia nematocypha|Embelia parviflora|Pancratium sickenbergeri|Juniperus rigida var. conferta|Fritillaria ningguoensis|Erythrina melanacantha|Vernonia fagifolia|Esenbeckia leiocarpa|Siphonaria capensis|Planchonia grandis|Diospyros assimilis|Salvia hispanica|Mycobacterium leprae |
Path=IL6 pathway|ALPL pathway|PSEN2 pathway|VWF pathway|MKI67 pathway|BAX pathway|BCL2 pathway|BCL2L1 pathway|PARP1 pathway|CASP3 pathway|CASP7 pathway|CASP8 pathway|CASP9 pathway|Gen=COX|Protein kinase C alpha - Homo sapiens | Arachidonate 5-lipoxygenase - Homo sapiens | Prostaglandin E synthase - Homo sapiens | Lymphocyte antigen 96 - Homo sapiens | 3-phosphoinositide dependent protein kinase-1 - Homo sapiens |Org= Human immunodeficiency virus 1 | Plasmodium falciparum |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Bone Cancer|Osteosarcoma|Breast Cancer|Breast Adenocarcinoma|Ductal Adenocarcinoma|Central Nervous System Cancers|Neruoblastoma|Neuroblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Soft Tissue Sarcoma|Sarcoma|Gen=Metabolism |
3D viewer |
Pubchem |
|
639665 |
6754-58-1 |
CC(=CCC1=C(C=C(C(=C1O)C(=O)C=CC2=CC=C(C=C2)O)OC)O)C |
|
354.40000 |
C21H22O5 |
4.816 |
2 |
3 |
87.00 |
6.0 |
26 |
2 |
Xanthohumol, a prenylated chalcone from hop, inhibits COX-1 and COX-2 activity and shows chemopreventive effects. Phase 1. |
N/A |
| Tea polyphenol |
natural product |
Diospyros kaki|Myrica rubra|Camellia sinensis|Prunus persica|Punica granatum|Ampelopsis japonica|Rhodiola rosea|Eriobotrya japonica|Morus alba|Ardisia japonica|Portulaca oleracea|Paeonia lactiflora| |
Path=ODC1 pathway|ABCG2 pathway|BCL2 pathway|BAX pathway|CASP3 pathway|PARP1 pathway|AR pathway|PSA pathway|N/A|CDK4 pathway|PCNA pathway|Gen=Others|Gen=DNA Methyltransferase,HER2,Telomerase,EGFR,Fatty Acid Synthase|15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Arachidonate 15-lipoxygenase - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Histone acetyltransferase GCN5 - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Vitamin D receptor - Homo sapiens | DNA polymerase kappa - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | HERG - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Galactokinase - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis|Beta-secretase 1 - Homo sapiens|Beta-secretase 1 - Homo sapiens | Fucosyltransferase 4 - Homo sapiens | CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase - Homo sapiens | Alpha-(1,3)-fucosyltransferase 7 - Homo sapiens|Hepatocyte growth factor receptor - Homo sapiens | 3-oxoacyl-acyl-carrier protein reductase - Plasmodium falciparum | 6-phosphogluconate dehydrogenase - Homo sapiens | Glucose-6-phosphate 1-dehydrogenase - Saccharomyces cerevisiae S288c | Apoptosis regulator Bcl-2 - Homo sapiens | Heat shock protein HSP 90-beta - Homo sapiens | Enoyl-acyl-carrier protein reductase - Plasmodium falciparum | Fatty acid synthase - Plasmodium falciparum |Org= Rattus norvegicus | Human herpesvirus 1 | Plasmodium falciparum | Human immunodeficiency virus 1 |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Basophilic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|Uterine Neoplasms|leiomyoma|Gen=Others |
3D viewer |
Pubchem |
3FNU 3QS1 3KDB |
1287 |
84650-60-2 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
|
281.36000 |
C17H19N3O |
0 |
0 |
0 |
197.00 |
0.0 |
33 |
4 |
Tea polyphenols are chemical compounds such as flavanoids and tannins found naturally in tea. Several biological properties have been associated to tea polyphenols (TP), including antioxidant, anti-carcinogenic and antimicrobial activities. |
N/A |
| Aloperine |
natural product |
Sophora flavescens |
Path=BCL2 pathway|PARP1 pathway|Gen=Anti-infection |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Esophageal and Esophagogastric Junction Cancers|Esophageal squamous cell carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=Microbiology |
3D viewer |
Pubchem |
|
162147 |
56293-29-9 |
C1CCN2CC3CC(C2C1)C=C4C3NCCC4 |
|
232.36000 |
C15H24N2 |
1.998 |
0 |
1 |
15.30 |
0.0 |
17 |
|
Aloperine is an isolated alkaloid in sophora plants such as Sophora alopecuroides L, and exhibits anti-inflammatory, antibacterial, antiviral, and anti-tumor properties. |
N/A |
| Cinchonine(LA40221) |
anticancer |
Cinchona spp |
Gen=Others|Glucose transporter - Homo sapiens | Glucose transporter - Leishmania mexicana | Hexose transporter 1 - Plasmodium falciparum | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Geminin - Homo sapiens | Cytochrome P450 2D6 - Homo sapiens | Reverse transcriptase - Human immunodeficiency virus 1 | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus |Org= Plasmodium falciparum | Trypanosoma brucei brucei | Plasmodium falciparum 3D7 | Plasmodium falciparum (isolate K1 / Thailand)|Cholinesterase - Equus caballus | Glucose transporter - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | Leishmania mexicana mexicana |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Chronic Myelogenous Leukemia|Gen=Angiogenesis |
3D viewer |
Pubchem |
|
90454 |
118-10-5 |
C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O |
KMPWYEUPVWOPIM-QAMTZSDWSA-N |
294.40000 |
C19H22N2O |
2.75 |
1 |
1 |
36.40 |
3.0 |
22 |
2 |
Cinchonine is an alkaloid and a stereoisomer and pseudo-enantiomer of cinchonidine. |
N/A |
| Aloperine |
anti infection |
Sophora flavescens |
Path=BCL2 pathway|PARP1 pathway|Gen=Anti-infection |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Esophageal and Esophagogastric Junction Cancers|Esophageal squamous cell carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=Microbiology |
3D viewer |
Pubchem |
|
162147 |
56293-29-9 |
C1CCN2CC3CC(C2C1)C=C4C3NCCC4 |
|
232.36000 |
C15H24N2 |
1.998 |
0 |
1 |
15.30 |
0.0 |
17 |
|
Aloperine is an isolated alkaloid in sophora plants such as Sophora alopecuroides L, and exhibits anti-inflammatory, antibacterial, antiviral, and anti-tumor properties. |
N/A |
| Gambogic Acid |
apoptosis |
Garcinia hanburyi|Garcinia hanburryi|Croton discolor| |
Path=BCL2 pathway|BCL2L1 pathway|BIRC2 pathway|BIRC3 pathway|CCND1 pathway|ICAM1 pathway|MMP9 pathway|MYC pathway|PTGS2 pathway|RELA pathway|TRAF1 pathway|VEGFA pathway|CDC2 pathway|CDK1 pathway|CKD7 pathway|MAPK14 pathway|MAPK8 pathway|Gen=Bcl-2,Caspase|Cruzipain - Trypanosoma cruzi | Arachidonate 15-lipoxygenase - Homo sapiens | Arachidonate 15-lipoxygenase, type II - Homo sapiens | Vitamin D receptor - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | 78 kDa glucose-regulated protein - Homo sapiens | Ferritin light chain - Equus caballus | Nuclear receptor ROR-gamma - Mus musculus | Histone acetyltransferase GCN5 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Survival motor neuron protein - Homo sapiens|Acetylcholinesterase - Electrophorus electricus | Thioredoxin, mitochondrial - Homo sapiens | Inhibitor of nuclear factor kappa B kinase beta subunit - Homo sapiens | Thioredoxin - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Induced myeloid leukemia cell differentiation protein Mcl-1 - Homo sapiens | Cholinesterase - Equus caballus |Org= Staphylococcus aureus |
Dis=Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Human umbilical vein endothelial cell|Non-small Cell Lung Cancer|Lewis Lung carcinoma |Gen=Apoptosis |
3D viewer |
Pubchem |
|
9852185 |
2752-65-0 |
CC(=CCCC1(C=CC2=C(O1)C(=C3C(=C2O)C(=O)C4=CC5CC6C4(O3)C(C5=O)(OC6(C)C)CC=C(C)C(=O)O)CC=C(C)C)C)C |
|
628.75000 |
C38H44O8 |
6.957 |
6 |
1 |
119.00 |
8.0 |
46 |
4 |
Gambogic Acid activates caspases with EC50 of 0.78-1.64 &muM and competitively inhibits Bcl-XL, Bcl-2, Bcl-W, Bcl-B, Bfl-1 and Mcl-1 with IC50 of 1.47, 1.21, 2.02, 0.66, 1.06 and 0.79 &muM, respectively. |
Guttatic Acid, Guttic Acid |
| (+)-Catechin |
apoptosis |
Hamamelis virginiana|Salix hulteni|Diospyros kaki|Ulmus davidiana|Litchi chinensis|Theobroma cocoa|Polygonum cuspidatum|Centella asiatica|Rheum officinale|Polyporus ellisii|Uncariae ramulus cumuncis|Ampelopsis japonica|Chaenomeles sinensis|Rheum palmatum|Spirographis spallanzani|Herbahypericiperforati|Houttuynia cordata|Chaenomeles speciosa|Rheum tanguticum|Cissus quinquefolia|Areca catechu|Hippophae rhamnoides|Cinamomum cassia|Rosa laevigata|Dioscoreaebulbiferae|Eucommia ulmoides|Cinnamomum aromaticum|Sargentodoxa cuneata|Rabdosia rosthornii|Agrimonia pilosa|Crataegus pinnatifida|Smilax china|Streptomyces libani|Lysimachiae herba|Drynaria fortunei|Cynomorium songaricum|Smilax glabra|Laurencia snyderae|Rhizoma fagopyri cymosi|Rumex japonicus|Solanum nigrum|Celastri orbiculati fructus|Crataegi folium|Fagopyrum dibotrys|Spatholobus suberectus|Hordei fructus germinatus|Semen aesculi|Euphorbia hirta|Thymus quinquecostatus|Gleditsiae fructus|Apocyniveneti folium|Morus alba|Ginkgo biloba|Thymus vulgaris|Phaseoli semen|Scutellaria baicalensis|Gleditsia japonica|Uncaria gambir|Herba pyrolae|Uncaria sinensis|Gleditsia sinensis|Uncaria macrophylla|Folium nelumbinis|Poria cocos|Uncaria rhynchophylla|Hippophae fructus|Polygonum orientale|Humulus lupulus|Nelumbo nucifera|Hypericum perforatum|Vigna angularis|Vigna umbellata|Actinidia chinensis planch|Lilium brownii|Vigna umbeuata|Amomum tsao-ko|Dimocarpus longan|Lilium lancifolium|Vitex negundo|Eucommiae cortex|Portulaca oleracea|Zanthoxylum bungeanum|Rumex nepalensis|Zanthoxylum piperitum|Cinnamomi ramulus|Lilium pumilum|Perilla frutescens|Zanthoxylum schinifolium|Arecae semen|Paeonia lactiflora|Morus bombycis|Ixeris tamagawaensis|Zingiber officinale|Gleditsiae spina|Murraya exotica|Senecio dryophyllus|Ziziphus jujuba|Abutilon theophrasti|Murraya paniculata|Senecio sinuatus|Hymenopenaeus sibogae|Senegalia catechu|Orostachys fimbriata|Heliomeris multiflora|Casimiroa tetrameria|Inula graveolens|Aloe africana|Orostachys japonicus|Aster koraiensis|green tea|Aloe vera|Aloe ferox|Bactrocera cucumis|Collisella limatula|Aloe spicata|Fallopia multiflora|Solanum giganteum|Aglaia oligophylla|Ageratum houstonianum|Apocynum venetum|Prunus mume|Ligularia dentata|Aspergillus heterothallicus|Punica granatum|Colchicum speciosum|Boehmeria nivea|Rheum coreanum|Licania pittieri |
Path=MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|Gen=ROS|Neuraminidase - Influenza A virus | Fatty acid synthase - Homo sapiens | Cyclooxygenase-1 - Ovis aries | Beta-secretase 1 - Homo sapiens |Org= Meloidogyne incognita | Plasmodium falciparum |
Dis=Hepatobiliary Cancer|Hepatoma|Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Neuroblastoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
4C9I 4C94 3I52 |
9064 |
154-23-4 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
PFTAWBLQPZVEMU-DZGCQCFKSA-N |
290.27000 |
C15H14O6 |
2.021 |
1 |
5 |
110.00 |
1.0 |
21 |
3 |
Cianidanol is an antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms. |
Cianidanol, Catechinic acid, Catechuic acid |
| Oleanolic Acid |
anticancer |
Plantago major|Viburnum awabuki|Prunus dulcis|Olea europaea|Pygeum africanum|Achyranthes bidentata|Achyranthes fauriei|Achyranthes japonica| |
Path=AR pathway|Beta-lactamase AmpC - Escherichia coli K-12 | Streptokinase A - Streptococcus pyogenes serotype M1 | Rap guanine nucleotide exchange factor 4 - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | DNA polymerase beta - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus |Org= Plasmodium falciparum | Streptococcus | Streptococcus sp. 'group A'|Glycogen phosphorylase, muscle form - Oryctolagus cuniculus | Protein-tyrosine phosphatase 1B - Homo sapiens | T-cell protein-tyrosine phosphatase - Homo sapiens |Org= Staphylococcus aureus | Mycobacterium tuberculosis | Mycobacterium tuberculosis H37Rv | Plasmodium falciparum | Bacillus subtilis |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|Gen=Microbiology |
3D viewer |
Pubchem |
|
10494 |
508-02-1 |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C |
MIJYXULNPSFWEK-GTOFXWBISA-N |
456.70000 |
C30H48O3 |
6.282 |
1 |
1 |
57.50 |
1.0 |
33 |
5 |
Oleanolic Acid is a non-toxic, hepatoprotective triterpenoid found in Phytolacca Americana, which exerts antitumor and antiviral properties. |
Caryophyllin |
| Guglip |
natural product |
Commiphora wightii|Streptomyces sahachiroi|Baptisia minor|Tricalysia okelensis|Angylocalyx oligophyllus|Eucalyptus microcorys|Achromobacter piechaudii|Abutilon indicum|Eupatorium inulifolium| |
Path=CCND1 pathway|CDC2 pathway|MAPK8 pathway|MYC pathway|PTGS2 pathway|CASP3 pathway|CASP9 pathway|CDKN1A pathway|IFI27 pathway|BCL2 pathway|BCL2A1 pathway|BIRC3 pathway|BIRC5 pathway|CFLAR pathway|CHUK pathway|MAP3K14 pathway|MMP9 pathway|NFKB1 pathway|TNF pathway|TRADD pathway|TRAF1 pathway|TRAF2 pathway|VEGFA pathway|XIAP pathway|BAK1 pathway|BCL2L1 pathway|BAX pathway|CASP8 pathway|Gen=lipoprotein disorders|Bile acid receptor FXR - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Glucocorticoid receptor - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Survival motor neuron protein - Homo sapiens | Mineralocorticoid receptor - Homo sapiens | Pregnane X receptor - Homo sapiens | Progesterone receptor - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Androgen Receptor - Homo sapiens | Nuclear receptor ROR-gamma - Homo sapiens | Phospholipase A2 group 1B - Homo sapiens | Retinoid X receptor alpha - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens |Org= Plasmodium falciparum|Microtubule-associated protein tau - Homo sapiens | Vitamin D receptor - Homo sapiens|Mineralocorticoid receptor - Homo sapiens | Bile acid receptor FXR - Homo sapiens | Nuclear receptor subfamily 1 group I member 2 - Rattus norvegicus | Thyroid stimulating hormone receptor - Homo sapiens | HERG - Homo sapiens | Heat shock protein beta-1 - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Nuclear factor NF-kappa-B p105 subunit - Homo sapiens | Interleukin-8 - Homo sapiens |
Dis=Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Head and Neck Cancers|head and neck squamous cell carcinoma|head andneckprimary keratinocytes|Oral Squamous Cell Carcinoma|Kidney Cancer|human embryonic kidney contains adenovirus|Melanoma|malignant melanoma|Multiple Myeloma|Multiple Myeloma |Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Normal bronchial epithelial|Ovarian Cancer|Epithelial Ovarian Cancer |Prostate Cancer|Prostate Adenocarcinoma| |
3D viewer |
Pubchem |
|
6439929 |
No Cas |
CC=C1C(=O)CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C |
WDXRGPWQVHZTQJ-AUKWTSKRSA-N |
312.45300 |
C21H28O2 |
3.9 |
2 |
0 |
34.10 |
640.0 |
23 |
4 |
A study of effect of guggulsterone on hyperlipidemia of secondary glomerulopathy.|A natural product that lowers cholesterol as an antagonist ligand for FXR.|Guggulsterone inhibits NF-kappaB and IkappaBalpha kinase activation, suppresses expression of anti-apoptotic gene products, and enhances apoptosis.|Megalin and cubilin expression in gallbladder epithelium and regulation by bile acids.|Regulation of carbohydrate metabolism by the farnesoid X receptor.|The ratio of constitutive androstane receptor to pregnane X receptor determines the activity of guggulsterone against the Cyp2b10 promoter.|Guggulsterones induce apoptosis and differentiation in acute myeloid leukemia: identification of isomer-specific antileukemic activities of the pregnadienedione structure.|The nuclear hormone receptor farnesoid X receptor (FXR) is activated by androsterone.|Expression of the bile acid receptor FXR in Barrett's esophagus and enhancement of apoptosis by guggulsterone in vitro.|Plant sterol guggulsterone inhibits nuclear factor-kappaB signaling in intestinal epithelial cells by blocking IkappaB kinase and ameliorates acute murine colitis.|Natural products as a gold mine for arthritis treatment.|Bile acids promote the expression of hepatitis C virus in replicon-harboring cells.|Therapeutic effects of guggul and its constituent guggulsterone: cardiovascular benefits.|Effects of plant sterols on human multidrug transporters ABCB1 and ABCC1.|Guggulsterone, an anti-inflammatory phytosterol, inhibits tissue factor and arterial thrombosis.|Guggulsterone suppresses the activation of transcription factor IRF3 induced by TLR3 or TLR4 agonists.|Guggulsterone inhibits angiogenesis by blocking STAT3 and VEGF expression in colon cancer cells.|The plant sterol guggulsterone attenuates inflammation and immune dysfunction in murine models of inflammatory bowel disease.|Reversal of P-glycoprotein-mediated multidrug resistance by guggulsterone in doxorubicin-resistant human myelogenous leukemia (K562/DOX) cells.|Enhanced steatosis by nuclear receptor ligands: a study in cultured human hepatocytes and hepatoma cells with a characterized nuclear receptor expression profile.|Guggulsterone suppresses LPS induced inflammation of human middle ear epithelial cells (HMEEC).|14-3-3 zeta is a molecular target in guggulsterone induced apoptosis in head and neck cancer cells.|Guggulsterone (GS) inhibits smokeless tobacco and nicotine-induced NF-B and STAT3 pathways in head and neck cancer cells.|Reversal of multidrug resistance by guggulsterone in drug-resistant MCF-7 cell lines.|Guggulsterone targets smokeless tobacco induced PI3K/Akt pathway in head and neck cancer cells.|TO901317 regulating apolipoprotein M expression mediates via the farnesoid X receptor pathway in Caco-2 cells.|Investigation of imatinib and other approved drugs as starting points for antidiabetic drug discovery with FXR modulating activity.|Cancer chemopreventive and therapeutic potential of guggulsterone.|[Progress in the ligands and their complex structures of farnesoid X receptor].|Reversion of P-glycoprotein-mediated multidrug resistance by guggulsterone in multidrug-resistant human cancer cell lines.|Cis-guggulsterone inhibits the IKK/NF-B pathway, whereas trans-guggulsterone inhibits MAPK/AP-1 in MCF7 breast cancer cells: guggulsterone regulates MMP9 expression in an isomer-specific manner.|Deriving dopaminergic neurons for clinical use. A practical approach.|Guggulsterone sensitizes glioblastoma cells to Sonic hedgehog inhibitor SANT-1 induced apoptosis in a Ras/NFB dependent manner.|Expression of DNA methyltransferases in breast cancer patients and to analyze the effect of natural compounds on DNA methyltransferases and associated proteins.|Guggulsterone attenuates activation and survival of hepatic stellate cell by inhibiting nuclear factor kappa B activation and inducing apoptosis.|Guggulsterone regulates the function and expression of P-glycoprotein in rat brain microvessel endothelial cells.|[Farnesoid-X-receptor blockade reduces myocardial reperfusion injury in cholesterol-fed apolipoprotein E knockout mice].|Guggulsterone of Commiphora mukul resin reverses drug resistance in imatinib-resistant leukemic cells by inhibiting cyclooxygenase-2 and P-glycoprotein.|Conformational dynamics of human FXR-LBD ligand interactions studied by hydrogen/deuterium exchange mass spectrometry: insights into the antagonism of the hypolipidemic agent Z-guggulsterone.|Suppression of the pregnane X receptor during endoplasmic reticulum stress is achieved by down-regulating hepatocyte nuclear factor-4 and up-regulating liver-enriched inhibitory protein.|Effect of NF-B inhibition on chemoresistance in biliary-pancreatic cancer.|Guggulsterone and bexarotene induce secretion of exosome-associated breast cancer resistance protein and reduce doxorubicin resistance in MDA-MB-231 cells.|Chenodeoxycholic Acid Reduces Hypoxia Inducible Factor-1 Protein and Its Target Genes.|Guggulsterone Attenuated Lipopolysaccharide-Induced Inflammatory Responses in Mouse Inner Medullary Collecting Duct-3 Cells.|Assessment of in vitro metabolic stability, plasma protein binding, and pharmacokinetics of E- and Z-guggulsterone in rat.|Guggulsterone induces apoptosis of human hepatocellular carcinoma cells through intrinsic mitochondrial pathway.|Regulation of P-glycoprotein efflux activity by Z-guggulsterone of Commiphora mukul at the blood-brain barrier.|Morphologic Damage of Rat Alveolar Epithelial Type II Cells Induced by Bile Acids Could Be Ameliorated by Farnesoid X Receptor Inhibitor Z-Guggulsterone In Vitro.|Guggulsterone sensitized drug-resistant human hepatocarcinoma cells to doxorubicin through a Cox-2/P-gp dependent pathway.|Evaluation of guggulsterone derivatives as novel kidney cell protective agents against cisplatin-induced nephrotoxicity.|Binding studies of guggulsterone-E to calf thymus DNA by multi-spectroscopic, calorimetric and molecular docking studies.|Yangonin protects against cholestasis and hepatotoxity via activation of farnesoid X receptor in vivo and in vitro. |
Guggulsterone E|(E)-Guggulsterone|E-Guggulsterone|Guggulsterone|Guggulsterones E|trans-Guggulsterone|39025-24-6|Pregna-4,17-diene-3,16-dione|UNII-9B259YE66O|(17E)-Pregna-4,17(20)-diene-3,16-dione|Z-Guggulsterone|CHEMBL402063|95975-55-6|9B259YE66O|(8R,9S,10R,13S,14S,17E)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione|E-Guggulsteron|Pregna-4,17(20)-diene-3,16-dione|Guggulsterone, (E)-|Guglip|Z/E-Guggulsterone|Pregna-4,17(20)-diene-3,16-dione, (17E)-|4,17(20)-trans-Pregnadiene-3,16-dione|(17E)-pregna-4,17-diene-3,16-dione|Spectrum5_002033|AC1O5SP4|DSSTox_CID_13538|DSSTox_RID_79082|DSSTox_GSID_33538|GTPL2745|SCHEMBL1650063|DTXSID6033538|MolPort-023-276-307|WDXRGPWQVHZTQJ-AUKWTSKRSA-N|Tox21_200314|BDBM50226465|MFCD01310758|ZINC19132424|AKOS015896568|(E)-Guggulsterone, analytical standard|API0002872|API0002873|API0002874|NCGC00091913-01|NCGC00091913-03|NCGC00257868-01|AN-10302|CAS-39025-24-6|pregna-4,17(20)-cis-diene-3,16-dione|(E)-Guggulsterone, >=95% (HPLC), powder|025G246|I06-2387|BRD-K57139258-001-01-0|UNII-A4PW148END component WDXRGPWQVHZTQJ-AUKWTSKRSA-N|137682-27-0| |
| 12a,13a-dihydroxyfumitremorgin C |
natural product |
Aspergillus fumigatus |
|
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia| |
3D viewer |
Pubchem |
|
10001648 |
111427-99-7 |
CC(=CC1C2=C(C(C3(N1C(=O)C4CCCN4C3=O)O)O)C5=C(N2)C=C(C=C5)OC)C |
CPHRCQUGNAGVIB-FWJAZRMLSA-N |
411.45800 |
C22H25N3O5 |
1.1 |
5 |
3 |
106.00 |
2.0 |
30 |
|
Identification of cytochrome P450s required for fumitremorgin biosynthesis in Aspergillus fumigatus. |
12,13-dihydroxyfumitremorgin C|12alpha,13alpha-dihydroxyfumitremorgin C|111427-99-7|(5aR,6S,12S,14aS)-5a,6-dihydroxy-9-methoxy-12-(2-methylprop-1-en-1-yl)-1,2,3,5a,6,11,12,14a-octahydro-5H,14H-pyrrolo1'',2'':4',5'pyrazino1',2':1,6pyrido3,4-bindole-5,14-dione|(5aR,6S,12S,14aS)-5a,6-Dihydroxy-9-methoxy-12-(2-methylprop-1-en-1-yl)-1,2,3,5a,6,14a-hexahydropyrrolo1'',2'':4',5'pyrazino1',2':1,6pyrido3,4-bindole-5,14(11H,12H)-dione|CHEMBL3884139|CHEBI:72764|C20605| |
| pateamine |
natural product |
Mycale hentscheli |
Path=CASP8 pathway| |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|CASP8 |
3D viewer |
Pubchem |
|
10053416 |
139220-18-1 |
CC1CC(CC(=O)OC(CC(=CC=CC(=O)OC(CC2=NC1=CS2)C=C(C)C=CC(=CCN(C)C)C)C)C)N |
DSPNTLCJTJBXTD-IRNRRZNASA-N |
555.77800 |
C31H45N3O4S |
5.7 |
8 |
1 |
123.00 |
5.0 |
39 |
|
Peloruside A enhances apoptosis in H-ras-transformed cells and is cytotoxic to proliferating T cells. |
pateamine A|Pateamine|139220-18-1|(-)-Pateamine|CHEMBL1221966|SCHEMBL16103926|CHEBI:134184|C19917|(3S,6Z,8E,11S,15R,17S)-15-amino-3-(1E,3E,5E)-7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo16.2.1henicosa-1(21),6,8,18-tetraene-5,13-dione| |
| Artonol B |
natural product |
Artocarpus kemando |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia| |
3D viewer |
Pubchem |
|
10070979 |
No Cas |
CC(=O)C1C2C(CC3=C1OC4=C5C=CC(OC5=CC(=C4C3=O)O)(C)C)C(OC2=O)(C)C |
JOYMAWFVFLOFKF-UHFFFAOYSA-N |
424.44900 |
C24H24O7 |
2.9 |
7 |
1 |
99.10 |
1.0 |
31 |
|
Artomandin, a new xanthone from Artocarpus kemando (Moraceae). |
CHEMBL465352| |
| rhein |
natural product |
Rhubarb rhabarbarum|Hemerocallis fulva| |
Path=CCL2 pathway|N/A|ICAM1 pathway|IL6 pathway|IL8 pathway|MAPK14 pathway|NFKBIA pathway|TNF pathway|TNFRSF14 pathway| |
Dis=Acute Myeloid Leukemia|Acute Monocytic Leukemia |Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|large cell carcinoma| |
3D viewer |
Pubchem |
3R2A 4RFR 4IE7 |
10168 |
478-43-3 |
C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)C(=O)O)O |
FCDLCPWAQCPTKC-UHFFFAOYSA-N |
284.22300 |
C15H8O6 |
2.2 |
6 |
3 |
112.00 |
1.0 |
21 |
|
Emodin and rhein inhibit LIGHT-induced monocytes migration by blocking of ROS production.|Inhibition of human tumor cell proliferation by novel anthraquinones from daylilies.| |
Rhein|478-43-3|Monorhein|Rheic acid|Rhubarb Yellow|Cassic acid|4,5-Dihydroxyanthraquinone-2-carboxylic acid|Chrysazin-3-carboxylic acid|Rheinic acid|NSC 38629 |
| parahigginol B |
natural product |
Parahigginsia spp |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Cervical Cancer|Cervical Carcinoma Papilloma |Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma| |
3D viewer |
Pubchem |
|
10356995 |
No Cas |
CC(C)CC(CC(C)C1=C(C=C(C=C1)C=O)O)OC(=O)C |
UVNHXUAXEBVNDH-UHFFFAOYSA-N |
292.37500 |
C17H24O4 |
3.6 |
4 |
1 |
63.60 |
8.0 |
21 |
|
Bioactive sesquiterpenes from a Taiwanese marine sponge Parahigginsia sp. |
CHEMBL455608| |
| gericudranins A |
natural product |
Cudrania tricuspidata |
|
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Kidney Cancer|Renal Cell Adenocarcinoma|Melanoma|malignant melanoma|Non-Melanoma Skin Cancers|Skin Carcinoma| |
3D viewer |
Pubchem |
|
10436583 |
No Cas |
C1=CC(=CC=C1CC2=C(C3=C(C(=C2O)CC4=CC=C(C=C4)O)OC(C(C3=O)O)C5=CC(=C(C=C5)O)O)O)O |
NSDIRDXLZWLHAL-UHFFFAOYSA-N |
516.50200 |
C29H24O9 |
4.6 |
9 |
7 |
168.00 |
5.0 |
38 |
|
Cytotoxic benzyl dihydroflavonols from Cudrania tricuspidata |
Gericudranins A|Gericudranin A|6,8-di-p-hydroxybenzyltaxifolin|LMPK12150001| |
| fumitremorgin B |
natural product |
Aspergillus fumigatus |
|
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia| |
3D viewer |
Pubchem |
4ZON |
105113 |
12626-17-4 |
CC(=CCN1C2=C(C=CC(=C2)OC)C3=C1C(N4C(=O)C5CCCN5C(=O)C4(C3O)O)C=C(C)C)C |
WEIYXEFMCIRZHC-MWGWWEMPSA-N |
479.57700 |
C27H33N3O5 |
2.7 |
5 |
2 |
95.20 |
4.0 |
35 |
|
Identification of cytochrome P450s required for fumitremorgin biosynthesis in Aspergillus fumigatus. |
Fumitremorgin B|Lanosulin|12626-17-4|Fumitremorgen B|UNII-ITN5B384F8|(5ar,6s,12s,14as)-5a,6-dihydroxy-9-methoxy-11-(3-methylbut-2-en-1-yl)-12-(2-methylprop-1-en-1-yl)-1,2,3,5a,6,11,12,14a-octahydro-5h,14h-pyrrolo1'',2'':4',5'pyrazino1',2':1,6pyrido3,4-bindole-5,14-dione|ITN5B384F8|5H,14H-Pyrrolo(1'',2'':4',5')pyrazino(1',2':1,6)pyrido(3,4-b)indole-5,14-dione, 1,2,3,5a,6,11,12,14a-octahydro-5a,6-dihydroxy-9-methoxy-11-(3-methyl-2-butenyl)-12-(2-methyl-1-propenyl)-, (5aR,6S,12S,14aS)-|5H,14H-Pyrrolo(1'',2'':4',5')pyrazino(1',2':1,6)pyrido(3,4-b)indole-5,14-dione, 1,2,3,5a,6,11,12,14a-octahydro-5a,6-dihydroxy-9-methoxy-11-(3-methyl-2-butenyl)-12-(2-methyl-1-propenyl)-, (5aR-(5a-alpha,6-alpha,12-beta,14a-alpha))-|AC1L2Y2H |
| m-cymene |
natural product |
Satureja hortensis |
|
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia| |
3D viewer |
Pubchem |
|
108130 |
61281-37-6 |
CC1=CC(=CC=C1)C(C)C |
XCYJPXQACVEIOS-UHFFFAOYSA-N |
134.22200 |
C10H14 |
4 |
6 |
0 |
55.40 |
4.0 |
29 |
|
Antiproliferative activity of essential oils derived from plants belonging to the Magnoliophyta division. |
Schisandrin B|Schizandrin B|61281-37-6|gomisin N|gamma-Schisandrin|Gamma-schizandrin|CHEMBL479488|1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo3',4'cycloocta1',2':4,5benzo1,2-d1,3dioxole|Q-100707|Schizandrin-B |
| microsphaerone B |
natural product |
Microsphaeropsis spp |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia| |
3D viewer |
Pubchem |
|
10958149 |
No Cas |
C1=C(OC=C(C1=O)C(=O)N)C=CC=CCCCCCCC(=O)O |
IGOIDGWJMMAZDD-WJDMQLPWSA-N |
319.35700 |
C17H21NO5 |
2.8 |
5 |
2 |
107.00 |
10.0 |
23 |
|
Microsphaerones A and B, two novel gamma-pyrone derivatives from the sponge-derived fungus Microsphaeropsis sp. |
microsphaerone B|CHEMBL464892| |
| fucoxanthinol |
natural product |
Halocynthia roretzi |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia| |
3D viewer |
Pubchem |
|
11273547 |
9'-cis-Fucoxanthinol |
CC(=CC=CC=C(C)C=CC=C(C)C(=O)CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=C=C3C(CC(CC3(C)O)O)(C)C |
NZEPSBGUXWWWSI-FWFPOGQTSA-N |
616.88300 |
C40H56O5 |
7.5 |
5 |
3 |
90.30 |
10.0 |
45 |
|
Halocynthiaxanthin and fucoxanthinol isolated from Halocynthia roretzi induce apoptosis in human leukemia, breast and colon cancer cells. |
Fucoxanthinol|9'-cis-Fucoxanthinol|8-oxo-trans-neoxanthin|SCHEMBL17557876|Fucoxanthinol, analytical standard|LMPR01070055|AKOS027313903|ZINC135730963| |
| Laxaphycins A and B |
natural product |
Anabaena laxa |
Path=TOP2A pathway| |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|TOP2A |
3D viewer |
Pubchem |
|
11979609 |
No Cas |
CCCCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)N1)C(C)O)CC(C)C)C(C)O)C(C(=O)N)O)C(C)CC)C)CCC(=O)N)C(C(C)C)O)C)C(C(C)C)O)C(C)C.CCCCCC1CC(=O)NC(C(=O)NC(=CC)C(=O)N2CC(CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CC(C)C)C(C)CC)C(C)CC)CC(C)C)CC3=CC=CC=C3)CCO)O)CCO |
FTXXOKVIMTVBCR-YQJGWDSQSA-N |
2592.20500 |
C125H211N25O33 |
NaN |
33 |
30 |
891.00 |
40.0 |
183 |
|
Cytotoxic effect of Laxaphycins A and B on human lymphoblastic cells (CCRF-CEM) using digitised videomicrofluorometry. |
|
| 2,3,9-trimethoxypterocarpan |
natural product |
Platymiscium floribundum |
|
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|ileocecal colorectal adenocarcinoma |Melanoma|Murine Melanoma| |
3D viewer |
Pubchem |
|
12218867 |
No Cas |
COC1=CC2=C(C=C1)C3COC4=C(C(=C(C=C4C3O2)OC)OC)O |
APDOGYRSSCEXNB-UHFFFAOYSA-N |
330.33600 |
C18H18O6 |
2.6 |
6 |
1 |
66.40 |
3.0 |
24 |
|
Cytotoxic flavonoids from Platymiscium floribundum |
4-Hydroxy-2,3,9-trimethoxypterocarpan|LMPK12070089|6a,11a-Dihydro-2,3,9-trimethoxy-6H-benzofuro3,2-c1benzopyran-4-ol, 9CI| |
| aaptamine |
natural product |
Hymeniacidon spp |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Kidney Cancer|kidney cancer|Melanoma|malignant melanoma|Non-small Cell Lung Cancer|large cell carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer | |
3D viewer |
Pubchem |
|
122826 |
85547-22-4 |
COC1=C(C2=NC=CC3=C2C(=C1)C=CN3)OC |
UERYGOYPBXIFQV-UHFFFAOYSA-N |
228.25100 |
C13H12N2O2 |
2.3 |
4 |
1 |
43.40 |
2.0 |
17 |
|
Antineoplastic agents. 380. Isolation and X-ray crystal structure determination of isoaaptamine from the Republic of Singapore Hymeniacidon sp. and conversion to the phosphate prodrug hystatin 1. |
Aaptamine|85547-22-4|8,9-dimethoxy-1H-benzode1,6naphthyridine|UNII-FGW9D01COE|FGW9D01COE|BRN 3550089|8,9-Dimethoxy-1H-benzo(de)(1,6)naphthyridine|1H-Benzo(de)(1,6)naphthyridine, 8,9-dimethoxy-|1H-benzode1,6naphthyridine, 8,9-dimethoxy-|AC1L3VBX |
| chlorophyllin |
natural product |
Batrytis bassiana |
Path=CCND1 pathway|CCNE1 pathway|CCNB1 pathway| |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Soft Tissue Sarcoma|Sarcoma| |
3D viewer |
Pubchem |
|
123798 |
48240-36-4 |
[H+].[H+].[H+].CCC1=C(C2=CC3=NC(=CC4=NC(=C(C5=NC(=C(C5=C([O-])[O-])C)C=C1[N-]2)CC(=O)[O-])C(C4C)CCC(=O)[O-])C(=C3C=C)C)C.[Mg+2] |
UVOXKYYHMDAWNK-UHFFFAOYSA-L |
618.97300 |
C34H34MgN4O6 |
NaN |
10 |
3 |
165.00 |
5.0 |
45 |
|
Antiproliferative effect of chlorophyllin derived from a traditional Chinese medicine Bombyx mori excreta on human breast cancer MCF-7 cells| |
Chlorophyllin A|15611-43-5|Magnesate(3-), ((7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-21H,23H-porphine-7-propanoato(5-)-kappa,N21,kappaN22,kappaN23,kappaN24)-, trihydrogen, (SP-4-2)-|Magnesate(3-), (18-carboxy-20-(carboxymethyl)-8-ethenyl-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-21H,23H-porphine-2-propanoato(5-)-N(21),N(22),N(23),N(24))-, trihydrogen, (SP-4-2-(2S-trans))-|CCRIS 8573|AC1L3XBA|LS-88577|magnesium; 3-18-(dioxidomethylidene)-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-20-(2-oxido-2-oxoethyl)-2,3-dihydroporphyrin-23-id-2-ylpropanoate; hydron| |
| dercitin |
natural product |
Dercitus spp |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Colorectal Cancer|Colorectal Adenocarcinoma|Melanoma|Murine Melanoma|Non-small Cell Lung Cancer|Lewis Lung carcinoma |Lung Epithelial Carcinoma| |
3D viewer |
Pubchem |
|
130774 |
115141-47-4 |
CN1C=CC2=C3C1=C4C(=C(C3=NC5=CC=CC=C25)CCN(C)C)N=CS4 |
COKHRCLLFPZOEI-UHFFFAOYSA-N |
360.47900 |
C21H20N4S |
4.5 |
5 |
0 |
60.50 |
3.0 |
26 |
|
Antitumor activity and nucleic acid binding properties of dercitin, a new acridine alkaloid isolated from a marine Dercitus species sponge. |
Dercitin|Dercitine|BRN 4886720|115141-47-4|N,N,1-Trimethyl-1H-pyrido(4,3,2-mn)thiazolo(5,4-b)acridine-9-ethanamine|1H-Pyrido(4,3,2-mn)thiazolo(5,4-b)acridine-9-ethanamine, N,N,1-trimethyl-|N,N,1-trimethyl-1h-pyrido4,3,2-mnthiazolo5,4-bacridine-9-ethanamine|AC1L2XZP|CHEMBL520388|DTXSID20150970|LS-134290| |
| Corchorusin D |
natural product |
Corchorus acutangulus |
Path=BCL2 pathway|BAX pathway| |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma| |
3D viewer |
Pubchem |
|
130973 |
108886-04-0 |
CC1(CCC23COC4(C2C1)C=CC5C6(CCC(C(C6CCC5(C4(CC3O)C)C)(C)C)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C |
WWABOEGJVNVCGA-BNQVJPHMSA-N |
780.99300 |
C42H68O13 |
3.2 |
13 |
8 |
208.00 |
6.0 |
55 |
|
Corchorusin-D, a saikosaponin-like compound isolated from Corchorus acutangulus Lam., targets mitochondrial apoptotic pathways in leukemic cell lines (HL-60 and U940).|Corchorusin-D, a saikosaponin-like compound isolated from Corchorus acutangulus Lam., targets mitochondrial apoptotic pathways in leukemic cell lines (HL-60 and U937).|Corchorusin-D, a saikosaponin-like compound isolated from Corchorus acutangulus Lam., targets mitochondrial apoptotic pathways in leukemic cell lines (HL-60 and U942).|Corchorusin-D, a saikosaponin-like compound isolated from Corchorus acutangulus Lam., targets mitochondrial apoptotic pathways in leukemic cell lines (HL-60 and U941).|Corchorusin-D, a saikosaponin-like compound isolated from Corchorus acutangulus Lam., targets mitochondrial apoptotic pathways in leukemic cell lines (HL-60 and U938).| |
Corchorusin D|AC1L2YD1|108886-04-0|beta-D-Galactopyranoside, (3beta,16beta)-13,28-epoxy-16-hydroxyolean-11-en-3-yl 2-O-beta-D-glucopyranosyl-| |
| bromorebeccamycin |
natural product |
Saccharothrix aerocolonigenes |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell| |
3D viewer |
Pubchem |
|
132085 |
No Cas |
COC1C(OC(C(C1O)O)C2CC3=C4C5=C(N=CC5=C6C7=CC(=O)CC(=O)C7=NC6=C4N=C3C=C2Br)Br)CO |
HIWZGZQZXVDTDD-DNOUQMJISA-N |
659.28700 |
C27H21Br2N3O7 |
0.2 |
10 |
3 |
150.00 |
3.0 |
39 |
|
Isolation of a bromo analog of rebeccamycin from Saccharothrix aerocolonigenes |
AC1L30D8|5H-Indolo(2,3-a)pyrrolo(3,4-c)carbazole-5,7(6H)-dione, 1,11-dibromo-12,13-dihydro-12-(4-O-methyl-beta-D-glucopyranosyl)-| |
| Myricanol glucoside |
natural product |
Myrica rubra |
|
Dis=Acute Myeloid Leukemia|Basophilic Leukemia| |
3D viewer |
Pubchem |
|
146123 |
90052-02-1 |
COC1=C(C(=C2CCCCC(CCC3=CC(=C(C=C3)O)C1=C2)O)OC4C(C(C(C(O4)CO)O)O)O)OC |
NPSYWDNXSMBWKP-LMNFFIPXSA-N |
520.57500 |
C27H36O10 |
2.3 |
10 |
6 |
158.00 |
5.0 |
37 |
|
Bioactive constituents of Chinese natural medicines. VII. Inhibitors of degranulation in RBL-2H3 cells and absolute stereostructures of three new diarylheptanoid glycosides from the bark of Myrica rubra |
Myricanol-15-glucoside|90052-02-1|5-O-beta-D-Glucopyranosylmyricanol|AC1L3SL2|DTXSID70238010|Myricanol 5-O-beta-D-glucopyranoside|beta-D-Glucopyranoside, 3,9-dihydroxy-16,17-dimethoxytricyclo(12.3.1.1(2,6))nonadeca-1(18),2,4,6(19),14,16-hexaen-15-yl, (R)-| |
| isodonoiol |
natural product |
Isodon rubescens |
|
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Chronic Myelogenous Leukemia|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma| |
3D viewer |
Pubchem |
|
158213 |
82460-75-1 |
CC(=O)OCC12C(CCC(C1CO)(C)C)OC(=O)C34C2C(CC(C3)C(=C)C4=O)O |
OCELUFZNLBUKGF-UHFFFAOYSA-N |
406.47500 |
C22H30O7 |
1.6 |
7 |
2 |
110.00 |
4.0 |
29 |
|
Four new ent-kauranoids from Isodon rubescens var. lushanensis and data reassignment of dayecrystal B. |
Rabdosin C|Rabdophyllin G|Enmein, 8-(acetyloxy)-8,10-deepoxy-13-deoxy-5-hydroxy-, (5-alpha)-|AC1L4JIQ|82460-75-1|LS-63931| |
| Phenylethanoid glycoside |
natural product |
Syringa velutina|Plantago lagopus| |
|
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Soft Tissue Sarcoma|Rhabdomyosarcoma| |
3D viewer |
Pubchem |
|
15939776 |
No Cas |
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C=CC(=C3)CCO)O)O)O)O)O)O)O |
YXWUKVNWHJHQJJ-ZNYMIGLZSA-N |
462.44800 |
C20H30O12 |
-2.7 |
12 |
8 |
199.00 |
7.0 |
32 |
|
Studies on constituents with cytotoxic activity from the stem bark of Syringa velutina.|Cytotoxic and antioxidative activities of Plantago lagopus L. and characterization of its bioactive compounds| |
|
| Ukrain |
natural product |
Chelidonium majus |
Path=CASP3 pathway|CASP8 pathway|PARP1 pathway|CASP9 pathway|NFKB1 pathway|IKBKB pathway|NFKBIA pathway| |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Bone Cancer|Osteosarcoma|Central Nervous System Cancers|Glioblastoma|Cervical Cancer|Cervical Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Ehrlich Ascites Carcinoma (EAC)|Kidney Cancer|human embryonic kidney contains adenovirus|Non-Hodgkin's Lymphomas|Murine T lymphoma cell| |
3D viewer |
Pubchem |
|
160027 |
138069-52-0 |
C[N+]1(CC2=C(C=CC3=C2OCO3)C4C1C5=CC6=C(C=C5CC4O)OCO6)CCNP(=S)(NCC[N+]7(CC8=C(C=CC9=C8OCO9)C1C7C2=CC3=C(C=C2CC1O)OCO3)C)NCC[N+]1(CC2=C(C=CC3=C2OCO3)C2C1C1=CC3=C(C=C1CC2O)OCO3)C.[OH-].[OH-].[OH-] |
KIGCDEJCMKDBHU-NIQQUOCOSA-K |
1303.38400 |
C66H75N6O18PS |
NaN |
22 |
9 |
243.00 |
12.0 |
92 |
|
Proapoptotic activity of Ukrain is based on Chelidonium majus L. alkaloids and mediated via a mitochondrial death pathway.|Ukrain, an alkaloid thiophosphoric acid derivative of Chelidonium majus L. protects human fibroblasts but not human tumour cells in vitro against ionizing radiation.|NF-kappaB does not influence the induction of apoptosis by Ukrain.|Comparative investigation of the effect of Ukrain on growth of ascite and solid forms of Ehrlich's carcinoma.| |
Ukrain|UNII-6251Q9UK1S|CCRIS 6300|UKSR-222|6251Q9UK1S|138069-52-0|AC1L4MXE|AC1Q22VW|(5br,6s,12bs,5b'r,6's,12b's,5b''r,6''s,12b''s)-13,13',13''-phosphorothioyltris(iminoethane-2,1-diyl)tris(6-hydroxy-13-methyl-5b,6,7,12b,13,14-hexahydro1,3benzodioxolo5,6-c1,3dioxolo4,5-iphenanthridin-13-ium) trihydroxide|CTK4C1075|LS-158362| |
| ginsenoside F1 |
natural product |
Panax ginseng |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia| |
3D viewer |
Pubchem |
|
162741 |
No Cas |
CC(=CCCC(C)(C1(CCC2(C1C(CC3C2CC(C4C3(CCC(C4(C)C)O)C)O)O)C)C)OC5C(C(C(C(O5)CO)O)O)O)C |
QLPKLNOLHUEWSE-TTWOHQMCSA-N |
638.88300 |
C36H62O9 |
4.3 |
9 |
7 |
160.00 |
7.0 |
45 |
|
|
AC1L4RUP|AN-40678|(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(2R)-6-methyl-2-(6R,10R,12S,13R,14R,17S)-3,6,12-trihydroxy-4,4,10,14,17-pentamethyl-2,3,5,6,7,8,9,11,12,13,15,16-dodecahydro-1H-cyclopentaaphenanthren-17-ylhept-5-en-2-yloxyoxane-3,4,5-triol|(2S,3R,4R,5S,6R)-2-(1R)-1,5-dimethyl-1-(6R,10R,12S,13R,14R,17S)-3,6,12-trihydroxy-4,4,10,14,17-pentamethyl-2,3,5,6,7,8,9,11,12,13,15,16-dodecahydro-1H-cyclopentaaphenanthren-17-ylhex-4-enoxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol| |
| bacteriohopane-32-ol |
natural product |
Rhodopseudomonas palustris |
|
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|murine lymphoblastoid cell| |
3D viewer |
Pubchem |
|
162967 |
62139-14-4 |
CC(CCCO)C1CCC2(C1CCC3(C2CCC4C3(CCC5C4(CCCC5(C)C)C)C)C)C |
PLFFHJWXOGYWPR-HEDMGYOXSA-N |
456.79900 |
C32H56O |
11 |
1 |
1 |
20.20 |
4.0 |
33 |
|
Cytotoxicity of bacteriohopane-32-ol against mouse leukemia L1210 and P388 cells in vitro |
Monol|62139-14-4|AC1Q7CIJ|AC1L4SA0|(4r)-4-(3r,3as,5ar,5br,7as,11as,11br,13ar,13bs)-5a,5b,8,8,11a,13b-hexamethylicosahydro-1h-cyclopentaachrysen-3-ylpentan-1-ol(non-preferred name)|PLFFHJWXOGYWPR-HEDMGYOXSA-N|A'-Neo-30-norgammacerane-22-propanol, (22R)-|(4R)-4-(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopentaachrysen-3-ylpentan-1-ol| |
| deoxytubulosine |
natural product |
Pergularia pallida |
|
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Chronic Myelogenous Leukemia| |
3D viewer |
Pubchem |
|
165003 |
|
CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=C(CCN4)C6=CC=CC=C6N5)OC)OC |
AVJZNOIWPGXYKM-LXFCCGDJSA-N |
459.63400 |
C29H37N3O2 |
5 |
4 |
2 |
49.50 |
5.0 |
34 |
|
Inhibition of thymidylate synthase by pergularinine, tylophorinidine and deoxytubulosine |
Deoxytubulosine|10,11-Dimethoxytubulosan|AC1L4VWR|AC1Q56PD|Tubulosan, 10,11-dimethoxy-|C11817|(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2-(1R)-2,3,4,9-tetrahydro-1H-pyrido3,4-bindol-1-ylmethyl-2,3,4,6,7,11b-hexahydro-1H-benzoaquinolizine|CHEBI:4433| |
| alpha-terpineol |
natural product |
Satureja hortensis|Satureja montana| |
|
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia| |
3D viewer |
Pubchem |
|
17100 |
8031-32-1 |
CC1=CCC(CC1)C(C)(C)O |
WUOACPNHFRMFPN-UHFFFAOYSA-N |
154.25300 |
C10H18O |
1.8 |
1 |
1 |
20.20 |
1.0 |
11 |
|
Antiproliferative activity of essential oils derived from plants belonging to the Magnoliophyta division. |
alpha-TERPINEOL|Terpineol|98-55-5|2-(4-methylcyclohex-3-en-1-yl)propan-2-ol|p-Menth-1-en-8-ol|dl-alpha-Terpineol|1-p-Menthen-8-ol|1-Menthene-8-ol|Terpineol schlechthin|CARVOMENTHENOL |
| porritoxins |
natural product |
Alternaria porri |
|
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia| |
3D viewer |
Pubchem |
|
178688 |
143114-82-3 |
CC1=C(C=C2C(=C1OC)CN(C2=O)CCO)OCC=C(C)C |
RKLUTDADUQVUMB-UHFFFAOYSA-N |
305.37400 |
C17H23NO4 |
2.1 |
4 |
1 |
59.00 |
6.0 |
22 |
|
Porritoxins, metabolites of Alternaria porri, as anti-tumor-promoting active compounds. |
Porritoxin|AC1L43R8|143114-82-3|2-(2-hydroxyethyl)-4-methoxy-5-methyl-6-(3-methylbut-2-enoxy)-3H-isoindol-1-one|DTXSID60162315|ZINC06069010|NP-007705|C10613|2-(2-hydroxyethyl)-4-methoxy-5-methyl-6-(3-methylbut-2-enoxy)isoindolin-1-one|2-(2-hydroxyethyl)-4-methoxy-5-methyl-6-(3-methylbut-2-en-1-yl)oxyisoindolin-1-one |
| junceellin |
natural product |
Junceella fragilis |
|
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Central Nervous System Cancers|Neruoblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Melanoma|malignant melanoma| |
3D viewer |
Pubchem |
|
185184 |
92508-09-3 |
CC1C(=O)OC2C13C(C4C(=C)CCC(C4(C(C(C(O3)C(=C)C2Cl)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C |
PXWWTSQKNXBHTK-PFCJEJOKSA-N |
583.02700 |
C28H35ClO11 |
1.9 |
11 |
0 |
141.00 |
8.0 |
40 |
|
Briarane derivatives from the gorgonian coral Junceella fragilis. |
Junceellin|92508-09-3|AC1L4GBB|3aH-6,13a-Epoxybenzo(4,5)cyclodeca(1,2-b)furan-2(1H)-one, 7,8,9,13-tetrakis(acetyloxy)-4-chlorododecahydro-1,8a-dimethyl-5,12-bis(methylene)-, (1R,3aR,4S,6S,7S,8R,8aR,9S,12aS,13S,13aR)-| |
| isoperezone |
natural product |
Perezia spp |
Path=CASP3 pathway| |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia| |
3D viewer |
Pubchem |
|
194198 |
64840-92-2 |
CC(C)C1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2 |
SSQIIGCIWQHQGZ-UHFFFAOYSA-N |
273.42000 |
C18H27NO |
4.1 |
2 |
0 |
20.30 |
5.0 |
20 |
|
Perezone and its isomer isoperezone induce caspase-dependent and caspase-independent cell death |
1-Propanone, 2-methyl-1-(4-(1-methylethyl)phenyl)-3-(1-piperidinyl)-|Isoperisone|64840-92-2|AC1L4XS1|AC1Q5DT9|SCHEMBL10855287|CTK5C1771|4'-Isopropyl-2-methyl-3-piperidinopropiophenone hydrochloride|2-methyl-3-piperidin-1-yl-1-(4-propan-2-ylphenyl)propan-1-one|1-Propanone,2-methyl-1-4-(1-methylethyl)phenyl-3-(1-piperidinyl)-| |
| copaene |
natural product |
Satureja montana |
|
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia| |
3D viewer |
Pubchem |
|
76319594 |
3856-25-5 |
CC1=CCC2C3C1C2(CCC3C(C)C)C |
VLXDPFLIRFYIME-UHFFFAOYSA-N |
204.35700 |
C15H24 |
4.5 |
0 |
0 |
0.00 |
1.0 |
15 |
|
Antiproliferative activity of essential oils derived from plants belonging to the Magnoliophyta division. |
(-)-alpha-Copaene|3856-25-5|(-)-alpha-Coaen|CHEMBL2269081|DTXSID30873067| |
| phakellistatin 1 |
natural product |
Phakellia costada |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell| |
3D viewer |
Pubchem |
|
197558 |
147395-10-6 |
CCC(C)C1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N3CCCC3C(=O)NC(C(=O)N4CCCC4C(=O)N1)C(C)CC)CC5=CC=C(C=C5)O)CC6=CC=CC=C6 |
QKAAFOFCOXIVQV-GWHVZCMOSA-N |
828.02400 |
C45H61N7O8 |
4.6 |
8 |
5 |
198.00 |
8.0 |
60 |
|
Isolation and structure of the marine sponge cell growth inhibitory cyclic peptide phakellistatin 1 |
Phakellistatin 1|147395-10-6|AC1L53N7|Cyclo(prolyl-isoleucyl-prolyl-isoleucyl-phenylalanyl-prolyl-tyrosyl)|Cycloamanide B, 3-L-isoleucine-5-L-proline-6-L-tyrosine-| |
| maoecrystal A |
natural product |
Isodon sinuolata |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia| |
3D viewer |
Pubchem |
|
20056131 |
96850-30-5 |
CC(=O)OC1C(=C)C2CCC3C1(C2)C(=O)C(C4C35COC(C4(C)C)CC5=O)O |
DCULYKVTBAXAER-XETVFITMSA-N |
388.46000 |
C22H28O6 |
0.9 |
6 |
1 |
89.90 |
2.0 |
28 |
|
Cytotoxic ent-kaurane diterpenoids from Isodon sinuolata. |
maoecrystal A|96850-30-5|CHEMBL465509|ZINC40394781|FT-0701687|Y0133| |
| amphidinolide B |
natural product |
Amphidinium sp |
|
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|Cervical Cancer|Cervical Carcinoma Papilloma | |
3D viewer |
Pubchem |
|
21773232 |
|
CC1CC2C(O2)C=CCCC=C(C(=O)OC(CC(C(C(C(=O)CC(CC(C(=CC(=C)C1)C)(C)O)O)O)O)C)C)C |
PYXZGBVSQBXPDQ-GYAOARDBSA-N |
562.74400 |
C32H50O8 |
3.5 |
8 |
4 |
137.00 |
0.0 |
40 |
|
Amphidinolides H2-H5, G2, and G3, new cytotoxic 26- and 29-membered macrolides from dinoflagellate Amphidinium sp.|Amphidinolides H2-H5, G2, and G3, new cytotoxic 26- and 40-membered macrolides from dinoflagellate Amphidinium sp.| |
amphidinolide B1|MLS002320521|SMR001338806|Amphidinolide B|CHEMBL505471|BDBM67029|cid_21773232|(1S,3R,6E,8R,10S,13R,14S,15R,17S,20E,24E,26S)-3,7,8,15,17,20-hexamethyl-5-methylidene-8,10,13,14-tetrakis(oxidanyl)-18,27-dioxabicyclo24.1.0heptacosa-6,20,24-triene-12,19-dione|(1S,3R,6E,8R,10S,13R,14S,15R,17S,20E,24E,26S)-8,10,13,14-tetrahydroxy-3,7,8,15,17,20-hexamethyl-5-methylene-18,27-dioxabicyclo24.1.0heptacosa-6,20,24-triene-12,19-dione|(1S,3R,6E,8R,10S,13R,14S,15R,17S,20E,24E,26S)-8,10,13,14-tetrahydroxy-3,7,8,15,17,20-hexamethyl-5-methylene-18,27-dioxabicyclo24.1.0heptacosa-6,20,24-triene-12,19-quinone|(1S,3R,6E,8R,10S,13R,14S,15R,17S,20E,24E,26S)-8,10,13,14-tetrahydroxy-3,7,8,15,17,20-hexamethyl-5-methylidene-18,27-dioxabicyclo24.1.0heptacosa-6,20,24-triene-12,19-dione| |
| hipposulfate A |
natural product |
Hippospongia metachromia |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Colorectal Cancer|Colorectal Adenocarcinoma|Melanoma|malignant melanoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma| |
3D viewer |
Pubchem |
|
23684797 |
No Cas |
CC1=CCC2C(CCCC2(C1CCC(=COS(=O)(=O)[O-])CCCC(=CCC3=C(C=CC(=C3)O)O)C)C)(C)C.[Na+] |
WDKISAGIVBWFSX-HHCXTGKISA-M |
568.74500 |
C31H45NaO6S |
NaN |
6 |
2 |
115.00 |
11.0 |
39 |
|
Hipposulfates A and B, new sesterterpene sulfates from an Okinawan sponge, Hippospongia cf. metachromia. |
hipposulfate A|CHEMBL475083| |
| Salarin C |
natural product |
Fascaplysinopsis spp |
Path=CASP3 pathway|CASP9 pathway|CDKN1A pathway|TP53 pathway| |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia| |
3D viewer |
Pubchem |
|
24867082 |
No Cas |
CCCCCCCC(=O)OCCC=CC1C(O1)C2C(C3C(O3)CCC(=CC4=NC(=C(O4)C)C=CC=CC(=O)O2)C)OC(=O)NC(=O)C |
KHGGKINOQOIBEV-PRBAJBALSA-N |
654.75700 |
C35H46N2O10 |
5.8 |
11 |
1 |
159.00 |
14.0 |
47 |
|
Salarin C, a member of the salarin superfamily of marine compounds, is a potent inducer of apoptosis. |
salarin C|SCHEMBL13020051|NSC750154|NSC-750154| |
| glochierioside B |
natural product |
Glochidion eriocarpum |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Ovarian Cancer|Epithelial Ovarian Cancer | |
3D viewer |
Pubchem |
|
25179453 |
No Cas |
CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1)OC(=O)C6=CC=CC=C6)CO)O)C)C)(C)C)OC7C(C(C(CO7)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C |
GRNFGBBADZIGAQ-FECVKQHTSA-N |
873.09000 |
C48H72O14 |
4.9 |
14 |
8 |
225.00 |
9.0 |
62 |
|
New triterpenoid saponins from Glochidion eriocarpum and their cytotoxic activity. |
CHEMBL541013| |
| alpha-Galactosylceramide(CCL-34) |
natural product |
Agelas mauritianus |
Path=CSF2 pathway|IL1B pathway|IL6 pathway|IL8 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|MAPK9 pathway|NFKB1 pathway|NOS2 pathway|MAPK1 pathway|TLR4 pathway|TNF pathway| |
Dis=Acute Lymphoblastic Leukemia|Abelson murine leukemia virus-induced tumor| |
3D viewer |
Pubchem |
3HUJ 3HE6 3HE7 1ZT4 |
2826713 |
158021-47-7 |
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCCCCCCCCCCCC)O)O |
VQFKFAKEUMHBLV-BYSUZVQFSA-N |
858.34000 |
C50H99NO9 |
16 |
9 |
7 |
169.00 |
44.0 |
60 |
|
A synthetic analog of alpha-galactosylceramide induces macrophage activation via the TLR4-signaling pathways. |
Krn 7000|alpha-GalCer|KRN7000|Krn-7000|158021-47-7|UNII-WX671898JF|CCRIS 8968|Galalpha-Cer(t18:0/26:0)|CHEBI:466659|alpha-Galactosylceramide |
| vobtusine lactone |
natural product |
Tabernaemontana sphaerocarpa |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Multiple Myeloma|Plasmacytoma|Non-small Cell Lung Cancer|Squamous Celll Carcinoma| |
3D viewer |
Pubchem |
|
301817 |
19772-81-7 |
COC1=CC=CC2=C1N3CC4(CC5C3(C26CCN7C6C8(C5)CC(=O)OC8CC7)O)CN9CCC12C9C3(C4OCC3)CC(=C1NC1=CC=CC=C21)C(=O)OC |
RWRDIJCXMDTYOZ-UHFFFAOYSA-N |
732.87800 |
C43H48N4O7 |
3.6 |
11 |
2 |
113.00 |
3.0 |
54 |
|
Biscarpamontamines A and B, an aspidosperma-iboga bisindole alkaloid and an aspidosperma-aspidosperma bisindole alkaloid, from Tabernaemontana sphaerocarpa| |
19772-81-7|21'-oxovobtusine|NSC180538|AC1L6Z7R|DTXSID80306830|NSC-180538| |
| vobtusine |
natural product |
Tabernaemontana sphaerocarpa |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Multiple Myeloma|Plasmacytoma|Non-small Cell Lung Cancer|Squamous Celll Carcinoma| |
3D viewer |
Pubchem |
|
301819 |
|
COC1=CC=CC2=C1N3CC4(CC5C3(C26CCN7C6C8(C5)CCOC8CC7)O)CN9CCC12C9C3(C4OCC3)CC(=C1NC1=CC=CC=C21)C(=O)OC |
IIMPGJMHQMBXKL-UHFFFAOYSA-N |
718.89500 |
C43H50N4O6 |
4 |
10 |
2 |
96.00 |
3.0 |
53 |
|
Biscarpamontamines A and B, an aspidosperma-iboga bisindole alkaloid and an aspidosperma-aspidosperma bisindole alkaloid, from Tabernaemontana sphaerocarpa| |
Vobtusin|Vobtusine|AC1L6Z7X|IIMPGJMHQMBXKL-UHFFFAOYSA-N|NSC180540|NSC-180540|Spiro1H,15aH-furo2',3':7,8indolizino8,1-cdcarbazole-2(2aH),6'(7'H)-4H,5H,15aH,16Hfuro2',3':7,8indolizino8,1-cdpyrido1,2,3-lmcarbazole, vobtusine deriv.|Spiro1H,15aH-furo2',3':7,8indolizino8,1-cdcarbazole-2(2aH),8'(9'H)-1H,6H,7H,17aHfuro2',3':7,8indolizino8,1-cdpyrido1,2,3-lmcarbazole-7-carboxylic acid, 2',2'a,4,4',5,5',6,6'a,8,13,14,14'c,15',16'-tetradecahydro-6'a-hydroxy-11'-methoxy-, methyl ester|Spiro1H,3':7,8indolizino8,1-cdcarbazole-2(2aH),8'(9'H)-1H,6H,7H,17aHfuro2',3':7,8indolizino8,1-cdpyrido1,2,3-lmcarbazole-7-carboxylic acid, 2',2'a,4,4',5,5',6,6'a,8,13,14,14'c,15',16'-tetradecahydro-14'c-hydroxy-11'-methoxy-, methyl ester,2'aS-2'a.alpha.,5'aS*,6'a.beta.,8'.alpha.(2aS*,5aS*,12bS*,15aS*),14'bS*,14c.alpha.,17'a.beta.-|Spiro1H,3':7,8indolizino8,1-cdcarbazole-2(2aH),8'(9'H)-1H,6H,7H,17aHfuro2',3':7,8indolizino8,1-cdpyrido1,2,3-lmcarbazole-7-carboxylic acid, 2',2'a,4,4',5,5',6,6'a,8,13,14,14'c,15',16'-tetradecahydro-6'a-hydroxy-11'-methoxy-, methyl ester| |
| butyl p-tolyl sulfide |
natural product |
Aegle marmelos |
|
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia| |
3D viewer |
Pubchem |
|
304040 |
21784-96-3 |
CCCCSC1=CC=C(C=C1)C |
FUYIIAJEXUJNFA-UHFFFAOYSA-N |
180.30900 |
C11H16S |
4 |
1 |
0 |
25.30 |
4.0 |
12 |
|
In vitro antiproliferative effects on human tumor cell lines of extracts from the Bangladeshi medicinal plant Aegle marmelos Correa. |
Butyl p-tolyl sulfide|n-Butyl p-tolyl sulfide|Sulfide, butyl p-tolyl|1-(Butylsulfanyl)-4-methylbenzene|4-(n-Butylthio)toluene|4-Methyl-1-(1-thiapentyl)benzene|FUYIIAJEXUJNFA-UHFFFAOYSA-N|Benzene, 1-(butylthio)-4-methyl-|21784-96-3|p-Tolylbutyl sulfide |
| Gerberlin A |
natural product |
Gerbera saxatilis |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Cervical Cancer|Cervical Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma| |
3D viewer |
Pubchem |
|
3050415 |
125445-59-2 |
CC1CC(=CC(=O)O1)OC2C(C(C(C(O2)CO)O)O)O |
VOGIOFXGPGYBDO-QHUZOQRCSA-N |
290.26800 |
C12H18O8 |
-1.3 |
8 |
4 |
126.00 |
3.0 |
20 |
|
Coumarin derivatives from Gerbera saxatilis.| |
Gerberin|125445-59-2|Gerberi|AC1MHFAO|SCHEMBL6029461|DTXSID40154773|2H-Pyran-2-one, 4-(beta-D-glucopyranosyloxy)-5,6-dihydro-6-methyl-, (6S)-|2H-Pyran-2-one, 4-(beta-D-glucopyranosyloxy)-5,6-dihydro-6-methyl-, (S)-|(2S)-2-methyl-4-(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yloxy-2,3-dihydropyran-6-one| |
| smenospongine |
natural product |
Dactylospongia elegans |
Path=CDKN1A pathway| |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Breast Carcinoma|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Human umbilical vein endothelial cell|Kidney Cancer|kidney cancer|Renal Cell Adenocarcinoma|Melanoma|malignant melanoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|large cell carcinoma|Lung Adenocarcinoma|Lung Epithelial Carcinoma|Squamous Celll Carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Small Cell Lung Cancer|Small Cell Lung Carcinoma| |
3D viewer |
Pubchem |
|
3081931 |
113021-53-7 |
CC1CCC2(C(C1(C)CC3=C(C(=CC(=O)C3=O)N)O)CCCC2=C)C |
OBQPWRJUZHGREQ-NUATZEMDSA-N |
343.46700 |
C21H29NO3 |
3.8 |
4 |
2 |
80.40 |
2.0 |
25 |
|
Smenospongine, a sesquiterpene aminoquinone from a marine sponge, induces G1 arrest or apoptosis in different leukemia cells.|Antiproliferative and antiangiogenic activities of smenospongine, a marine sponge sesquiterpene aminoquinone.|Smenospongine, a sesquiterpene aminoquinone from a marine sponge, induces G3 arrest or apoptosis in different leukemia cells.| |
Smenospongine|113021-53-7|AC1MIXTM|CHEMBL3309304|2,5-Cyclohexadiene-1,4-dione, 5-amino-3-(((1R,2S,4aS,8aS)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl)methyl)-2-hydroxy|3-(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-ylmethyl-5-amino-4-hydroxycyclohexa-3,5-diene-1,2-dione| |
| Myricadiol |
natural product |
Myrica rubra |
|
Dis=Acute Myeloid Leukemia|Basophilic Leukemia| |
3D viewer |
Pubchem |
|
3084282 |
17884-88-7 |
CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)CO)C |
RJAKLUPHSBOQNU-GCHNNGBASA-N |
442.72800 |
C30H50O2 |
7.9 |
2 |
2 |
40.50 |
1.0 |
32 |
|
Bioactive constituents of Chinese natural medicines. VII. Inhibitors of degranulation in RBL-2H3 cells and absolute stereostructures of three new diarylheptanoid glycosides from the bark of Myrica rubra |
Myricadiol|17884-88-7|UNII-89VO0CMD4F|89VO0CMD4F|AC1MJ29L|SCHEMBL4202103|ZINC5424862|AKOS026674274|4CN-2368|AK168819 |
| momilactone B |
natural product |
Oryza sativa |
|
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Basophilic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Thyroid Cancer|Anaplastic Thyroid Carcinoma| |
3D viewer |
Pubchem |
|
3084979 |
51415-08-8 |
CC1(CCC2C(=CC3C4C25CCC(C4(C(=O)O3)C)(OC5)O)C1)C=C |
SONPFFIKLYCKOY-WXVXRDCTSA-N |
330.42400 |
C20H26O4 |
2.6 |
4 |
1 |
55.80 |
1.0 |
24 |
|
Momilactone B, an allelochemical of rice hulls, induces apoptosis on human lymphoma cells (Jurkat) in a micromolar concentration. |
Momilactone B|Momilacton B|51415-08-8|AC1MJ3N2|4H-3,10b-Ethano-1H,3H-benzo(f)furo(4,3,2-de)-2-benzopyran-4-one, 8-ethenyl-3a,5a,7,8,9,10,10a,10c-octahydro-3a,8-dimethyl-, (3S-(3alpha,3abeta,5abeta,8alpha,10aalpha,10bbeta,10cbeta))-| |
| trichorabdal A |
natural product |
Isodon sinuolata |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Neuroblastoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Prostate Cancer|Prostate Adenocarcinoma| |
3D viewer |
Pubchem |
|
3086209 |
No Cas |
CC1(CCCC2(C1C=O)COC(=O)C34C2C(CC(C3)C(=C)C4=O)O)C |
KIJKAQHLSSAHOL-BQHLAHCXSA-N |
346.42300 |
C20H26O5 |
2.2 |
5 |
1 |
80.70 |
1.0 |
25 |
|
Cytotoxic ent-kaurane diterpenoids from Isodon sinuolata. |
|
| perezone |
natural product |
Perezia spp |
Path=CASP3 pathway| |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia| |
3D viewer |
Pubchem |
|
339385 |
13120-66-6 |
CC1=CC(=O)C(=C(C1=O)O)C(C)CCC=C(C)C |
JZXORCGMYQZBBQ-UHFFFAOYSA-N |
248.32200 |
C15H20O3 |
3.4 |
3 |
1 |
54.40 |
4.0 |
18 |
|
Perezone anditsisomerisoperezoneinducecaspase-dependentand caspase-independentcelldeath |
NSC365793|13120-66-6|2-(1,5-Dimethyl-4-hexenyl)-3-hydroxy-5-methylbenzo-1,4-quinone|Perezon|NSC 365793|AC1L7PV0|SCHEMBL3609799|CHEMBL1991715|CTK4B7155|NSC-365793 |
| astragaloside 2 |
natural product |
Astragalus membranaceus |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-Hodgkin's Lymphomas|Chronic Lymphocytic Leukemia| |
3D viewer |
Pubchem |
|
369514 |
|
CC(=O)OC1C(C(COC1OC2CCC34C(C2(C)C)C(CC5C3(O4)CCC6(C5(CC(C6C7(CCC(O7)C(C)(C)O)C)O)C)C)OC8C(C(C(C(O8)CO)O)O)O)O)O |
FPMKTOHSPZKRET-ZTXGWKAVSA-N |
828.99000 |
C42H68O16 |
0.3 |
16 |
8 |
247.00 |
9.0 |
58 |
|
Effects of cycloartane saponins from hairy roots of Astragalus membranaceus Bge., on human tumor cell targets| |
NSC641295|AC1L7Z71|SCHEMBL13907095|NCI60_013940|(2S,3BS,7S,9aR,10aS,12aR)-7-(2-O-acetylpentopyranosyl)oxy-2-hydroxy-1-(5S)-5-(1-hydroxy-1-methylethyl)-2-methyltetrahydrofuran-2-yl-3a,6,6,12a-tetramethyltetradecahydro-1H-cyclopenta1,2phenanthro4a,4b-boxiren-5-yl hexopyranoside|4,5-dihydroxy-2-hydroxy-(5S)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl-tetramethyl-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yloxy-?yloxy-tetrahydropyran-3-yl acetate| |
| 3-(hydroxyacetyl)indole |
natural product |
Streptomyces sp |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|large cell carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|prostate Carcinoma| |
3D viewer |
Pubchem |
|
38083 |
38692-98-7 |
CCN1C=C(C2=CC=CC=C21)C(=O)CO |
YYJBEMIHSBFPNX-UHFFFAOYSA-N |
203.24100 |
C12H13NO2 |
1.6 |
2 |
1 |
42.20 |
3.0 |
15 |
|
Antineoplastic Agents. 554. The manitoba bacterium Streptomyces sp. |
BRN 1458957|1-Ethyl-3-(hydroxyacetyl)indole|KETONE, 1-ETHYL-3-INDOLYL HYDROXYMETHYL|38692-98-7|AC1L1Z1K|1-ethyl-3-hydroxy-acetylindole|DTXSID40191986|LS-87204|1-(1-ethylindol-3-yl)-2-hydroxyethanone|1-(1-Ethyl-1H-indol-3-yl)-2-hydroxyethanone| |
| obovaten |
natural product |
Persea obovatifolia |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Cervical Cancer|Cervical Carcinoma Papilloma |Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma| |
3D viewer |
Pubchem |
|
387126 |
|
CCC1CC2CC3(C1N(C2)CCC4=C3NC5=C4C=CC(=C5C6=C(C=CC7=C6NC8=C7CCN9CC1CC(C9C8(C1)C(=O)OC)CC)OC)O)C(=O)OC |
IODACEQTCDJDBL-LSIICPEOSA-N |
720.91100 |
C43H52N4O6 |
6.4 |
8 |
3 |
120.00 |
8.0 |
53 |
|
Additional cytotoxic neolignans from Persea obovatifolia |
Obovatine|NSC680530|AC1L8T5Q|CHEMBL1986894|NSC-680530|NCI60_028723| |
| gericudranins B |
natural product |
Cudrania tricuspidata |
|
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Kidney Cancer|Renal Cell Adenocarcinoma|Melanoma|malignant melanoma|Non-Melanoma Skin Cancers|Skin Carcinoma| |
3D viewer |
Pubchem |
|
42608135 |
No Cas |
C1=CC(=CC=C1CC2=C(C=C(C3=C2OC(C(C3=O)O)C4=CC(=C(C=C4)O)O)O)O)O |
UMBDLCOFFATLCV-UHFFFAOYSA-N |
410.37800 |
C22H18O8 |
3 |
8 |
6 |
148.00 |
3.0 |
30 |
|
Cytotoxic benzyl dihydroflavonols from Cudrania tricuspidata |
Gericudranins B|Gericudranin B|8-p-hydroxybenzyltaxifolin|LMPK12150002| |
| rhodexin A |
natural product |
Rhodea japonica |
|
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia| |
3D viewer |
Pubchem |
|
441868 |
545-49-3 |
CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)O)O |
HFMLTKBZNAPPNY-CEKKCSHUSA-N |
536.66200 |
C29H44O9 |
0.9 |
9 |
5 |
146.00 |
3.0 |
38 |
|
Flow cytometric estimation of cytotoxic activity of rhodexin A isolated from Rhodea japonica in human leukemia K562 cells. |
Rhodexin A|Sarmentogenin 3-O-alpha-L-rhamnoside|545-49-3|Sarmentogenin-L-rhamnosid German|Sarmentogenin-L-rhamnosid|Sarmentogenin, 3-(6-deoxy-.alpha.-L-mannopyranoside)|5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-alpha-L-mannopyranosyl)oxy)-11-alpha,14-dihydroxy-|AC1L9BT8|Card-20(22)-enolide, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy-11,14-dihydroxy-, (3beta,5beta,11alpha)-|LMST01120010 |
| astragaloside 3 |
natural product |
Astragalus membranaceus |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-Hodgkin's Lymphomas|Chronic Lymphocytic Leukemia| |
3D viewer |
Pubchem |
|
441905 |
84687-42-3 |
CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)CO)O)O)O)C |
FVFSMBDVZVUETN-BQAOMNQWSA-N |
784.98100 |
C41H68O14 |
1.3 |
14 |
9 |
228.00 |
7.0 |
55 |
|
Effects of cycloartane saponins from hairy roots of Astragalus membranaceus Bge., on human tumor cell targets| |
Astragaloside III|84687-42-3|UNII-WVP53009FC|WVP53009FC|Astragaloside-III|AstragalosideIII|(3beta,6alpha,9beta,16beta,20R,24S)-6,16,25-trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl 2-O-beta-D-glucopyranosyl-beta-D-xylopyranoside|AC1L9BW8|Astragaloside III (constituent of astragalus) DSC|CHEBI:2897 |
| fastigilin C |
natural product |
Baileya multiradiata |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell| |
3D viewer |
Pubchem |
|
261577 |
6995-12-6 |
CC1C2C=CC(=O)C2(C(C3C(C1O)OC(=O)C3=C)OC(=O)C=C(C)C)C |
QQEQKSVDPDNRRR-GQDZUWFTSA-N |
360.40600 |
C20H24O6 |
2.5 |
6 |
1 |
89.90 |
3.0 |
26 |
|
Antineoplastic agents. 52. Baileya multiradiata. |
Fastigilin C|FASTIGILLIN C|NSC176507|6995-12-6|AC1Q69TM|(3as,4r,4ar,7as,8s,9r,9as)-9-hydroxy-4a,8-dimethyl-3-methylidene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno6,5-bfuran-4-yl 3-methylbut-2-enoate|AC1L65M4|CHEMBL2007366|CTK5D1595|NSC94036 |
| antheminones A |
natural product |
Anthemis maritima |
|
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma| |
3D viewer |
Pubchem |
|
44447079 |
No Cas |
CC(=CCCC(C)(C1CC(=O)C(=CC1O)CO)O)C |
VVFRCGYFPGXPDJ-XRJCJLGXSA-N |
268.35300 |
C15H24O4 |
1.8 |
4 |
3 |
77.80 |
5.0 |
19 |
|
New cytotoxic saturated and unsaturated cyclohexanones from Anthemis maritima. |
ANTHEMINONE A|CHEMBL400418| |
| antheminone C |
natural product |
Anthemis maritima |
|
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma| |
3D viewer |
Pubchem |
|
44447087 |
No Cas |
CC(=CCCC(C)(C1CC(=O)C(=C)C(C1O)O)O)C |
CBBNBHQRNCDHQF-LKWLHFCZSA-N |
268.35300 |
C15H24O4 |
1.6 |
4 |
3 |
77.80 |
4.0 |
19 |
|
New cytotoxic saturated and unsaturated cyclohexanones from Anthemis maritima. |
ANTHEMINONE C|CHEMBL252202| |
| metacycloprodigiosin |
natural product |
Saccharopolyspora sp |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma| |
3D viewer |
Pubchem |
|
44521126 |
No Cas |
CCC1CCCCCCCCC2=CC1=C(N2)C=C3C(=CC(=C4C=CC=N4)N3)OC |
LHGDELSTHOOWNP-YMTDNPRJSA-N |
391.55900 |
C25H33N3O |
6 |
3 |
2 |
49.40 |
3.0 |
29 |
|
Potent in vitro anticancer activity of metacycloprodigiosin and undecylprodigiosin from a sponge-derived actinomycete Saccharopolyspora sp. nov.| |
|
| varv A |
natural product |
Viola arvensis|Viola odorata| |
|
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Kidney Cancer|Renal Cell Adenocarcinoma|Multiple Myeloma|Plasmacytoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Small Cell Lung Cancer|Small Cell Lung Carcinoma| |
3D viewer |
Pubchem |
|
44575575 |
No Cas |
CC(C)CC1C(=O)N2CCCC2C(=O)NC(C(=O)NC(CSSCC3C(=O)NC(C(=O)NC4CSSCC(C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CC(=O)N)CCCNC(=N)N)C(C)O)NC(=O)C(NC(=O)C5CCCN5C(=O)C(NC(=O)C(NC4=O)CO)CC6=CNC7=CC=CC=C76)C(C)C)C(=O)NC(C(=O)NC(C(=O)N8CCCC8C(=O)NCC(=O)N3)C(C)O)CC(=O)N)C(C)O)C(C)C)NC(=O)C(C(C)O)NC(=O)C(CCC(=O)O)NC(=O)CN)CO)C(=O)O)C(C)C |
BGGCSIYMQIZMAZ-DXBOVLASSA-N |
2896.27300 |
C116H179N35O40S6 |
-11.7 |
48 |
40 |
1330.00 |
32.0 |
197 |
|
Cyclotides: A Novel Type of Cytotoxic Agents |
CHEMBL526529| |
| cycloviolacin O2 |
natural product |
Viola arvensis|Viola odorata| |
|
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Cervical Cancer|Cervical Adenocarcinoma|Kidney Cancer|Renal Cell Adenocarcinoma|Multiple Myeloma|Plasmacytoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Small Cell Lung Cancer|Small Cell Lung Carcinoma| |
3D viewer |
Pubchem |
|
44575577 |
No Cas |
CCC(C)C1C(=O)NCC(=O)NC2CSSCC(NC(=O)C3CCCN3C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C4CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C)CO)CO)C(C)CC)NC(=O)C5CCCN5C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N4)C(C)C)CCCCN)CO)CCCCN)NC(=O)C(NC2=O)CO)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)CN)C(C)C)CC6=CNC7=CC=CC=C76)C(C)CC)CC8=CC=C(C=C8)O)CCCNC(=N)N)CC(=O)N)C(C)CC)C(=O)O |
LPRLNBIIZMVTNT-CGJDGIRVSA-N |
3158.71400 |
C133H209N37O40S6 |
-9.7 |
50 |
43 |
1370.00 |
44.0 |
216 |
|
Cyclotides: A Novel Type of Cytotoxic Agents|Mechanism of Action of Cytotoxic Cyclotides: Cycloviolacin O3 Disrupts Lipid Membranes|Mechanism of Action of Cytotoxic Cyclotides: Cycloviolacin O2 Disrupts Lipid Membranes| |
CHEMBL525223| |
| varv F |
natural product |
Viola arvensis|Viola odorata| |
|
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Kidney Cancer|Renal Cell Adenocarcinoma|Multiple Myeloma|Plasmacytoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Small Cell Lung Cancer|Small Cell Lung Carcinoma| |
3D viewer |
Pubchem |
|
44575578 |
No Cas |
CCC(C)C1C(=O)NC(CSSCC2C(=O)NC(C(=O)NC3CSSCC(C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N4CCCC4C(=O)N1)CC(C)C)CC(=O)N)CCCNC(=N)N)C(C)O)NC(=O)C(NC(=O)C5CCCN5C(=O)C(NC(=O)C(NC3=O)CO)CC6=CNC7=CC=CC=C76)C(C)C)C(=O)NC(C(=O)NC(C(=O)N8CCCC8C(=O)NCC(=O)N2)C(C)O)CC(=O)N)C(C)O)C(C)C)NC(=O)C(C(C)O)NC(=O)C(CCC(=O)O)NC(=O)CN)CO)C(=O)O |
PLYKNYPFBRPYNT-LYVJNYOLSA-N |
2910.30000 |
C117H181N35O40S6 |
-11.4 |
48 |
40 |
1330.00 |
33.0 |
198 |
|
Cyclotides: A Novel Type of Cytotoxic Agents |
CHEMBL501039| |
| 30-hydroxymycalolide A |
natural product |
Mycale magellanica |
|
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia| |
3D viewer |
Pubchem |
|
44584040 |
No Cas |
CC1C(CC=CC2=NC(=CO2)C3=NC(=CO3)C4=NC(=CO4)C(C(C(=O)C=CCC(CC(=O)OC1CC(C(C)CCC(C(C)C(C(C)C=CN(C)C=O)OC(=O)C)O)OC)O)C)OC)OC |
RJGURWXRVVOFCD-PVFVYSIKSA-N |
911.05900 |
C47H66N4O14 |
4.6 |
17 |
2 |
236.00 |
16.0 |
65 |
|
New mycalolides from the marine sponge Mycale magellanica and their interconversion. |
30-hydroxymycalolide A|CHEMBL449853| |
| 32-hydroxymycalolide A |
natural product |
Mycale magellanica |
|
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia| |
3D viewer |
Pubchem |
|
44584041 |
No Cas |
CC1C(CC=CC2=NC(=CO2)C3=NC(=CO3)C4=NC(=CO4)C(C(C(=O)C=CCC(CC(=O)OC1CC(C(C)CCC(=O)C(C)C(C(C)C=CN(C)C=O)O)OC)O)C)OC)OC |
PNKMHEIEQKNTNH-UXZFHCIESA-N |
867.00600 |
C45H62N4O13 |
3.7 |
16 |
2 |
227.00 |
14.0 |
62 |
|
New mycalolides from the marine sponge Mycale magellanica and their interconversion. |
32-hydroxymycalolide A|CHEMBL506282| |
| 38-hydroxymycalolide B |
natural product |
Mycale magellanica |
|
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia| |
3D viewer |
Pubchem |
|
44584042 |
No Cas |
CC1C(CC=CC2=NC(=CO2)C3=NC(=CO3)C4=NC(=CO4)C(C(C(=O)C=CCC(CC(=O)OC1CC(C(C)CCC(C(C)C(C(C)C=CN(C)C=O)OC(=O)C)OC(=O)C(CO)OC)OC)O)C)OC)OC |
WMQWIJXGKYDMAH-NOGOHUGQSA-N |
1013.14800 |
C51H72N4O17 |
4.4 |
20 |
2 |
272.00 |
21.0 |
72 |
|
New mycalolides from the marine sponge Mycale magellanica and their interconversion. |
38-hydroxymycalolide B|CHEMBL453278| |
| Casearupestrins A |
natural product |
Casearia rupestris |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|ileocecal colorectal adenocarcinoma | |
3D viewer |
Pubchem |
|
44584131 |
No Cas |
CC1CC(C23C(C1(C)CC=C(C)C=C)CC(C=C2C(OC3OC(=O)C)OC(=O)C)OC(=O)C(C)C)O |
PASSAFHUDJPXAL-JXHLGRMOSA-N |
504.62000 |
C28H40O8 |
4.7 |
8 |
1 |
108.00 |
10.0 |
36 |
|
Cytotoxic clerodane diterpenes from Casearia rupestris.| |
Casearvestrin A|CHEMBL463339| |
| glochierioside A |
natural product |
Glochidion eriocarpum |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Ovarian Cancer|Epithelial Ovarian Cancer | |
3D viewer |
Pubchem |
|
45273441 |
No Cas |
CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1)OC(=O)C6=CC=CC=C6)CO)O)C)C)(C)C)OC7C(C(C(CO7)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C |
GRNFGBBADZIGAQ-QHYZPUIDSA-N |
873.09000 |
C48H72O14 |
4.9 |
14 |
8 |
225.00 |
9.0 |
62 |
|
New triterpenoid saponins from Glochidion eriocarpum and their cytotoxic activity. |
CHEMBL557563| |
| bacteriohopane-32, 33, 34, 35-tetrol (Tetrol) |
natural product |
Acetobacter aceti |
|
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia| |
3D viewer |
Pubchem |
|
45356260 |
101144-34-7 |
CC(CCCC(C)(C)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C |
NTIXPPFPXLYJCT-CFTHBVFTSA-N |
436.67700 |
C27H48O4 |
4.9 |
4 |
4 |
80.90 |
5.0 |
31 |
|
Cytotoxic effects of several hopanoids on mouse leukemia L1210 and P388 cells. |
101144-34-7|tetrol|BIDD:PXR0001|SCHEMBL16226750|DTXSID40669918|(3beta,5alpha,12beta)-Cholestane-3,7,12,25-tetrol| |
| Laxaphycins B |
natural product |
Anabaena laxa|Lyngbya majuscula|Anabaena torulosa| |
Path=TOP2A pathway| |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Melanoma|malignant melanoma|Non-Hodgkin's Lymphomas|Non-Hodgkin's lymphoma|Non-Melanoma Skin Cancers|Fibroblast|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Prostate Cancer|Prostate Adenocarcinoma| |
3D viewer |
Pubchem |
|
457000 |
No Cas |
CCCCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)N1)C(C)O)CC(C)C)C(C)O)C(C(=O)N)O)C(C)CC)C)CCC(=O)N)C(C(C)C)O)C)C(C(C)C)O)C(C)C |
URYPPVMQQUERGK-UHFFFAOYSA-N |
1395.70600 |
C65H114N14O19 |
3 |
19 |
17 |
519.00 |
22.0 |
98 |
|
Cytotoxic effect of Laxaphycins A and B on human lymphoblastic cells (CCRF-CEM) using digitised videomicrofluorometry.|Total structure and inhibition of tumor cell proliferation of laxaphycins.| |
Laxaphycin B|AC1L9VWZ|3-6-(2-amino-1-hydroxy-2-oxo-ethyl)-28-heptyl-3,31-bis(1-hydroxyethyl)-15,21-bis(1-hydroxy-2-methyl-propyl)-34-isobutyl-24-isopropyl-10,18-dimethyl-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-9-sec-butyl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo35.3.0tetracontan-12-ylpropanamide|3-6-(2-amino-1-hydroxy-2-oxoethyl)-9-butan-2-yl-28-heptyl-3,31-bis(1-hydroxyethyl)-15,21-bis(1-hydroxy-2-methylpropyl)-10,18-dimethyl-34-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo35.3.0tetracontan-12-ylpropanamide| |
| lamellarin I |
natural product |
Didemnum spp |
|
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|murine lymphoblastoid cell| |
3D viewer |
Pubchem |
|
461035 |
No Cas |
COC1=C(C=C(C=C1)C2=C3C4=CC(=C(C=C4C=CN3C5C2C6=CC(=C(C=C6OC5=O)O)OC)OC)OC)O |
PYYHFDZTWYLLTG-UHFFFAOYSA-N |
515.51800 |
C29H25NO8 |
4.1 |
9 |
2 |
107.00 |
5.0 |
38 |
|
Polyaromatic alkaloids from marine invertebrates as cytotoxic compounds and inhibitors of multidrug resistance caused by P-glycoprotein. |
Lamellarin .alpha.|AC1LA3GU|3-Hydroxy-14-(3-hydroxy-4-methoxyphenyl)-2,11,12-trimethoxy-6a,14a-dihydro-6H-chromeno4',3':4,5pyrrolo2,1-aisoquinolin-6-one| |
| norlupane |
natural product |
Viburnum awabuki |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Colorectal Cancer|Colorectal Adenocarcinoma| |
3D viewer |
Pubchem |
|
463526 |
150840-49-6 |
CC(=O)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)NCCCCCCCCCCC(=O)O |
GAVBICAHSHTFPO-QPPLJHNISA-N |
641.97800 |
C40H67NO5 |
9.2 |
5 |
3 |
104.00 |
13.0 |
46 |
|
Cytotoxic lupane-, secolupane-, and oleanane-type triterpenes from Viburnum awabuki |
150840-49-6|11-(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bS)-1-acetyl-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopentaachrysene-3a-carbonylaminoundecanoic acid|30-Norlupane, undecanoic acid deriv.|AC1LA87H|N-(3beta-Hydroxy-30-nor-20-oxolupan-28-oyl)-11-aminoundecanoic acid|Undecanoic acid, 11-(((3beta)-3-hydroxy-20,28-dioxo-30-norlupan-28-yl)amino)-|N-3.beta.-Hydroxy-30-nor-20-oxolupan-28-oyl-11-aminoundecanoic acid|Undecanoic acid, 11-(3.beta.)-3-hydroxy-20,28-dioxo-30-norlupan-28-ylamino-| |
| regularoside A |
natural product |
Culcita novaeguineae |
|
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma| |
3D viewer |
Pubchem |
|
46891497 |
No Cas |
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(OC(C(C3O)OC4C(C(C(C(O4)C)O)O)O)OC5C(C(OC(C5O)OC6CC7C8CC(C(C8(CC=C7C9(C6CC(CC9)OS(=O)(=O)[O-])C)C)C(C)(C1C(O1)C(C)C(C)C)O)O)CO)O)C)C)O)O)O)O)O.[Na+] |
ZRULANADTOFUQB-VYGPUKNOSA-M |
1311.41900 |
C58H95NaO29S |
NaN |
29 |
14 |
463.00 |
|
89 |
|
Asterosaponins from the starfish Culcita novaeguineae and their bioactivities |
regularoside A|CHEMBL1082627| |
| Kalopanaxsaponin I |
natural product |
Kalopanax pictus |
|
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma| |
3D viewer |
Pubchem |
|
475709 |
|
CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)CO)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)OC8C(C(C(CO8)O)O)O)O |
IAGSHEHQJJTLLR-WBOUJWADSA-N |
883.08200 |
C46H74O16 |
2.1 |
16 |
9 |
255.00 |
8.0 |
62 |
|
Essential moiety for antimutagenic and cytotoxic activity of hederagenin monodesmosides and bisdesmosides isolated from the stem bark of Kalopanaxpictus.| |
Kalopanaxsaponin I|AC1L9TJG|(2S,5S,18S,1R,15R,19R)-18-{3-3,5-Dihydroxy-6-methyl-4-(3,4,5-trihydroxyperhydro-2H-pyran-2-yloxy)perhydro-2H-pyran-2-yloxy-4,5-dihydroxyperhydro-2H-pyran-2-yloxy}-19-(hydroxymethyl)-1,2,8,8,15,19-hexamethylpentacyclo12.8.0.0<2,11>.0<5,10>.0<15,20>docos-11-ene-5-carboxylic acid|(4aS,6aS,6bR,9R,10S,12aR)-10-3-3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yloxy-4,5-dihydroxyoxan-2-yloxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid|(4aS,6aS,6bR,9R,10S,12aR)-10-3-3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-tetrahydropyran-2-yloxy-4,5-dihydroxy-tetrahydropyran-2-yloxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid| |
| Saponin 4 |
natural product |
Sansevieria ehrenbergii |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|large cell carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|prostate Carcinoma| |
3D viewer |
Pubchem |
|
482163 |
|
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)O)C |
WCMJLEULXWUCRF-VVMGSQKUSA-N |
796.99200 |
C42H68O14 |
3.1 |
14 |
9 |
236.00 |
8.0 |
56 |
|
New multiflorane-type triterpenoid acids from Sandoricum indicum. |
Saponin 4|Colchiside 6|AC1LA64U|(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yloxyoxan-2-yloxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid|(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yloxy-tetrahydropyran-2-yloxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid|Olean-12-en-28-oic acid, 3-(2-O-D-glucopyranosyl-D-glucopyranosyl)oxy-23-hydroxy-, (3.beta.)-| |
| Juniperexcelsic acid |
natural product |
Juniperus excelsa |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Cervical Cancer|Cervical Carcinoma Papilloma | |
3D viewer |
Pubchem |
|
490535 |
|
CC1CCC2C(C1CCC(=C)C=C)(CCC(C2(C)C(=O)O)OC(=O)C)C |
PXWLSCYJIIZCHG-DWFZSRRUSA-N |
362.51000 |
C22H34O4 |
6.1 |
4 |
1 |
63.60 |
7.0 |
26 |
|
Diterpenes from the berries of Juniperus excelsa |
AC1LAL7U|CTK5J3043|(1R,4aR)-2-acetoxy-1,4a,6-trimethyl-5-(3-methylenepent-4-enyl)decalin-1-carboxylic acid|(1r,4ar)-2-(acetyloxy)-1,4a,6-trimethyl-5-(3-methylidenepent-4-en-1-yl)decahydronaphthalene-1-carboxylic acid|(1R,4aR)-2-acetyloxy-1,4a,6-trimethyl-5-(3-methylidenepent-4-enyl)-2,3,4,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid|1-Naphthalenecarboxylic acid, 2-(acetyloxy)decahydro-1,4a,6-trimethyl-5-(3-methylene-4-pentenyl)-, (1R,4aR)-| |
| sanguinarine |
natural product |
Chelidonium majus|Fumaria spp|Sanguinaria canadensis| |
Path=BAX pathway|CASP3 pathway|CASP9 pathway|BCL2 pathway|BIRC3 pathway|CFLAR pathway|XIAP pathway|AKT1 pathway|PLCG1 pathway|BCL2L1 pathway|CYCS pathway|BIRC2 pathway|MAPK3 pathway|FAS pathway|FASLG pathway|MAPK14 pathway|MAPK8 pathway|TNFRSF10A pathway|TNFRSF10B pathway|TNFSF10 pathway|BAD pathway|CASP8 pathway|DFFA pathway|PARP1 pathway|N/A|BID pathway|APAF1 pathway|BAK1 pathway|CASP7 pathway|CCND1 pathway|CCND2 pathway|CCNE1 pathway|CDK2 pathway|CDK4 pathway|CDK6 pathway|CDKN1A pathway|CDKN1B pathway| |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioma|Cervical Cancer|Cervical Carcinoma Papilloma |Gastrointestinal Cancer|Gastric carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Primary effusion lymphoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Skin Cancer|human keratinocytes| |
3D viewer |
Pubchem |
3NX5 3AS0 3ARV 5ICF |
5154 |
857014-91-6 |
C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6 |
INVGWHRKADIJHF-UHFFFAOYSA-N |
332.33500 |
C20H14NO4+ |
4.4 |
4 |
0 |
40.80 |
0.0 |
25 |
|
Apoptogenic activity of two benzophenanthridine alkaloids from Chelidonium majus L. does not correlate with their DNA damaging effects.|Sanguinarine-induced apoptosis: generation of ROS, down-regulation of Bcl-2, c-FLIP, and synergy with TRAIL.|Induction of apoptosis by sanguinarine in C6 rat glioblastoma cells is associated with the modulation of the Bcl-2 family and activation of caspases through downregulation of extracellular signal-regulated kinase and Akt.|Induction of necrosis and apoptosis to KB cancer cells by sanguinarine is associated with reactive oxygen species production and mitochondrial membrane depolarization.|Sanguinarine sensitizes human gastric adenocarcinoma AGS cells to TRAIL-mediated apoptosis via down-regulation of AKT and activation of caspase-3.|Sanguinarine-induced apoptosis in human leukemia U937 cells via Bcl-2 downregulation and caspase-3 activation.|Sanguinarine-dependent induction of apoptosis in primary effusion lymphoma cells.|Activation of prodeath Bcl-2 family proteins and mitochondrial apoptosis pathway by sanguinarine in immortalized human HaCaT keratinocytes.|Sanguinarine causes cell cycle blockade and apoptosis of human prostate carcinoma cells via modulation of cyclin kinase inhibitor-cyclin-cyclin-dependent kinase machinery.| |
SANGUINARINE|2447-54-3|Pseudochelerythrine|Sanguinarin|sangvinarin|Veadent|Sanguiritrin|SANGUINARIUM|Dimethylenedioxy benzphenanthridine|UNII-AV9VK043SS |
| a-eleostearic acid |
natural product |
Momordica charantia|Punica granatum| |
Path=ESR1 pathway|ESR2 pathway|CASP3 pathway|CASP8 pathway|CASP9 pathway|PRKCA pathway|AKT pathway|AR pathway|BCL2 pathway|GSK3B pathway|PSA pathway|N/A|BAX pathway|PARP pathway| |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Lung Epithelial Carcinoma|Prostate Cancer|Prostate Adenocarcinoma| |
3D viewer |
Pubchem |
|
5281115 |
506-23-0 |
CCCCC=CC=CC=CCCCCCCCC(=O)O |
CUXYLFPMQMFGPL-WPOADVJFSA-N |
278.43600 |
C18H30O2 |
6.4 |
2 |
1 |
37.30 |
13.0 |
20 |
|
Tumor growth suppression by ?-eleostearic acid, a linolenic acid isomer with a conjugated triene system, via lipid peroxidation|Pomegranate (Punica granatum) seed linolenic acid isomers: concentration-dependent modulation of estrogen receptor activity.|Punicic acid is an omega-5 fatty acid capable of inhibiting breast cancer proliferation.|Growth Inhibitory, Antiandrogenic, and Pro-apoptotic Effects of Punicic Acid in LNCaP Human Prostate Cancer Cells.|Pomegranate (Punica granatum) pure chemicals show possible synergistic inhibition of human PC-3 prostate cancer cell invasion across Matrigel.| |
alpha-Eleostearic acid|UNII-934U1Q8QHG|506-23-0|934U1Q8QHG|9Z,11E,13E-octadecatrienoic acid|(9Z,11E,13E)-Octadecatrienoic acid|alpha-ELA|(9Z,11E,13E)-9,11,13-Octadecatrienoic acid|(9Z,11E,13E)-octadeca-9,11,13-trienoic acid|9c,11t,13t-CLnA |
| fucosterol |
natural product |
Sargassum vachellianum |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell| |
3D viewer |
Pubchem |
|
5281321 |
2222-07-3 |
CC=C(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
OSELKOCHBMDKEJ-JUGJNGJRSA-N |
412.70200 |
C29H48O |
8.9 |
7 |
4 |
132.00 |
4.0 |
37 |
|
Bioactive steroids from the brown alga Sargassum carpophyllum. |
Cucurbitacin I|2222-07-3|Elatericin B|Cucurbitacine (I)|1,2-Dehydroelatericin A|UNII-SHQ47990PH|CHEBI:3947|SHQ47990PH|EINECS 218-736-8|NSC 112167 |
| tagitinin F |
natural product |
Tithonia diversifolia |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia| |
3D viewer |
Pubchem |
|
5281501 |
59979-57-6 |
CC1=CC2C(C(CC3(C=CC1(O3)O)C)OC(=O)C(C)C)C(=C)C(=O)O2 |
XJUPOHKZSDZNBE-QDHYIOMWSA-N |
348.39500 |
C19H24O6 |
1.7 |
6 |
1 |
82.10 |
3.0 |
25 |
|
|
Tagitinin F|59979-57-6|C09554|CHEBI:9390|ZINC4098189|4CN-0070|Propanoic acid,2-methyl-,(3aR,4R,6R,9R,10Z,11aR)-2,3,3a,4,5,6,9,11a-octahydro-9-hydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodecabfuran-4-ylester| |
| alpha-caryophyllene |
natural product |
Satureja hortensis|Comptonia peregrina| |
|
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma| |
3D viewer |
Pubchem |
|
5281520 |
65907-25-7 |
CC1=CCC(C=CCC(=CCC1)C)(C)C |
FAMPSKZZVDUYOS-HRGUGZIWSA-N |
204.35700 |
C15H24 |
4.5 |
0 |
0 |
0.00 |
0.0 |
15 |
|
Antiproliferative activity of essential oils derived from plants belonging to the Magnoliophyta division.|Composition and cytotoxic activity of the leaf essential oil of Comptonia peregrina (L.) Coulter.| |
Humulene|alpha-Humulene|ALPHA-CARYOPHYLLENE|3,7,10-Humulatriene|6753-98-6|UNII-54W56MD2WD|.alpha.-Caryophyllene|EINECS 229-816-7|1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)-|BRN 3240075 |
| ?-tocotrienol + dimer |
natural product |
Kielmeyera coriacea |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|ileocecal colorectal adenocarcinoma | |
3D viewer |
Pubchem |
|
5282348 |
14101-69-0 |
CC1=CC(=C(C2=C1OC(CC2)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)O |
FGYKUFVNYVMTAM-WAZJVIJMSA-N |
410.64200 |
C28H42O2 |
8.9 |
2 |
1 |
29.50 |
9.0 |
30 |
|
Cytotoxicity of ?-tocotrienols from Kielmeyera coriacea against cancer cell lines.| |
beta-Tocotrienol|epsilon-Tocopherol|Tocotrienol, beta|490-23-3|UNII-CHH810ZM8C|D-beta-Tocotrienol|CHH810ZM8C|FGYKUFVNYVMTAM-WAZJVIJMSA-N|3,4-Dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyl-trideca-3,7,11-trienyl)-2H-1-benzopyran-6-ol|epsilon-Tokoferol |
| 11,13-O-isopropylidenecalyculin A |
natural product |
Discodermia calyx |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell| |
3D viewer |
Pubchem |
|
52940015 |
No Cas |
CC1C(CC2(C(C(C(O2)C(CC3C(C(OC(O3)(C)C)C(C)C=C(C)C(=CC=CC(=CC#N)C)C)C)OC)OP(=O)(O)O)(C)C)OC1CC=CC4=COC(=N4)C(C)CCNC(=O)C(C(C(COC)N(C)C)O)O)O |
XBJXTZOMKBLRDW-JDLCALPCSA-N |
1049.25000 |
C53H85N4O15P |
3.4 |
18 |
6 |
265.00 |
24.0 |
73 |
|
Insight into binding of calyculin A to protein phosphatase 1: isolation of hemicalyculin a and chemical transformation of calyculin A. |
BDBM40778|11,13-O-isopropylidene-calyculin A (6)| |
| C1/C34-calyculin A |
natural product |
Discodermia calyx |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell| |
3D viewer |
Pubchem |
|
52940019 |
No Cas |
CC1C(CC2(C(C(C(O2)C(CC(C(C)C(C(C)C=C(C)C(=CC=CC(=CC#N)C)C)O)O)OC)OP(=O)(O)O)(C)C)OC1CC=CC3=COC(=N3)C(C)CCNC(=O)CO)O |
VIFOVINDEXWVQN-GVXXWCIGSA-N |
878.01000 |
C44H68N3O13P |
4.7 |
15 |
7 |
254.00 |
21.0 |
61 |
|
Insight into binding of calyculin A to protein phosphatase 1: isolation of hemicalyculin a and chemical transformation of calyculin A. |
BDBM40782|C1/C34-Calyculin A (15)| |
| Calyculin A |
natural product |
Discodermia calyx |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell| |
3D viewer |
Pubchem |
|
5311365 |
101932-71-2 |
CC1C(CC2(C(C(C(O2)C(CC(C(C)C(C(C)C=C(C)C(=CC=CC(=CC#N)C)C)O)O)OC)OP(=O)(O)O)(C)C)OC1CC=CC3=COC(=N3)C(C)CCNC(=O)C(C(C(COC)N(C)C)O)O)O |
FKAWLXNLHHIHLA-YCBIHMBMSA-N |
1009.18500 |
C50H81N4O15P |
1.8 |
18 |
8 |
287.00 |
26.0 |
70 |
|
Insight into binding of calyculin A to protein phosphatase 1: isolation of hemicalyculin a and chemical transformation of calyculin A. |
calyculin A|Calyculin|101932-71-2|UNII-7D07U14TK3|CCRIS 3706|CHEMBL430266|7D07U14TK3|L-Ribonamide, N-((3S)-3-(4-((1E)-3-((2R,3R,5R,7S,8S,9R)-2-((1S,3S,4S,5R,6R,7E,9E,11E,13Z)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyl-7,9,11,13-tetradecatetraenyl)-9-hydroxy-4,4,8-trimethyl-3-(phosphonooxy)-1,6-dioxaspiro(4.5)dec-7-yl)-1-propenyl)-2-oxazolyl)butyl)-4-deoxy-4-(dimethylamino)-5-O-methyl-|Calyculin-A|(-)-calyculin A |
| dipetaline |
natural product |
Zanthoxylum americanum |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia| |
3D viewer |
Pubchem |
|
5316928 |
59701-36-9 |
CC(=CCC1=C(C2=C(C3=C1OC(=O)C=C3)OC(C=C2)(C)C)OC)C |
NOGMHSRRWYDWTM-UHFFFAOYSA-N |
326.39200 |
C20H22O4 |
4.7 |
4 |
0 |
44.80 |
3.0 |
24 |
|
|
Dipetalin|UNII-5VH0452G7F|5VH0452G7F|59701-36-9|Dipetaline|AC1NSUWZ|DTXSID90208417|5-methoxy-2,2-dimethyl-6-(3-methylbut-2-enyl)pyrano2,3-hchromen-8-one| |
| 2?-hydroxy-3?,4?,6?-trimethoxychalcone |
natural product |
Uvaria scheffleri |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia| |
3D viewer |
Pubchem |
|
5354780 |
6971-20-6 |
COC1=CC(=C(C(=C1C(=O)C=CC2=CC=CC=C2)O)OC)OC |
OCGIXADHTXAPKN-MDZDMXLPSA-N |
314.33700 |
C18H18O5 |
3.8 |
5 |
1 |
65.00 |
6.0 |
23 |
|
|
2'-Hydroxy-3',4',6'-trimethoxychalcone|6971-20-6|NSC19035|AC1NS692|SCHEMBL15732329|OCGIXADHTXAPKN-MDZDMXLPSA-N|ZINC4691812|2-Propen-1-one, 1-(2-hydroxy-3,4,6-trimethoxyphenyl)-3-phenyl-|LMPK12120340|NSC-19035 |
| marthasteroside A1 |
natural product |
Culcita novaeguineae |
|
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma| |
3D viewer |
Pubchem |
|
5458926 |
88434-24-6 |
CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3C(C(C(OC3OC4COC(C(C4O)OC5C(C(C(C(O5)C)O)O)O)OC6C(C(OC(C6O)OC7C=C8C9CCC(C9(CCC8C1(C7CC(CC1)OS(=O)(=O)O)C)C)C(C)CC(=O)CC(C)C)C)O)CO)O)O)C)O)O)O)O |
WIJGXCZIUOZVQC-XBRWMGPISA-N |
1375.52700 |
C62H102O31S |
-2.7 |
31 |
15 |
483.00 |
20.0 |
94 |
|
Asterosaponins from the starfish Culcita novaeguineae and their bioactivities |
Marthasteroside A1|88434-24-6|NSC382397|AC1NUQYP|DTXSID30420035| |
| Sphinxolide C |
natural product |
Neosiphonia superstes |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma| |
3D viewer |
Pubchem |
|
5468561 |
|
CC1C=CC(CC(C(C2C(C(=CC(=O)O2)C(C(CC(=CC=CC(=O)OC(C(C=CC(CC1OC)O)C)C(C)C(C(C)CCC(=O)C(C)C(CC=CN(C)C=O)OC)OC)C)OC)OC)O)C)OC)OC |
GNVXNFJGHBCESL-GXVIQCKOSA-N |
990.28200 |
C54H87NO15 |
5.2 |
15 |
2 |
195.00 |
18.0 |
70 |
|
Microfilament depletion and circumvention of multiple drug resistance by sphinxolides. |
NSC671678|AC1NV51B|CHEMBL2001663|NSC-671678|N-(E)-11-(1S,6E,12E,18E,20E,29S)-11,29-dihydroxy-3,5,9,23,24-pentamethoxy-2,8,14,21-tetramethyl-17,27-dioxo-16,28-dioxabicyclo23.3.1nonacosa-6,12,18,20,25-pentaen-15-yl-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-enyl-N-methylformamide| |
| Sphinxolide D |
natural product |
Neosiphonia superstes |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma| |
3D viewer |
Pubchem |
|
5468562 |
|
CC1C=CC(CC(C(C2C(C(=CC(=O)O2)CC(CC(=CC=CC(=O)OC(C(C=CC(CC1OC)O)C)C(C)C(C(C)CCC(=O)C(C)C(CC=CN(C)C=O)OC)OC)C)OC)O)C)OC)OC |
FFZDKDJAMUULRL-NRMZHEQMSA-N |
960.25600 |
C53H85NO14 |
5.7 |
14 |
2 |
186.00 |
17.0 |
68 |
|
Microfilament depletion and circumvention of multiple drug resistance by sphinxolides. |
NSC671679|AC1NV51D|CHEMBL1968242|NSC-671679|N-(E)-11-(1S,6E,12E,18E,20E,29S)-11,29-dihydroxy-3,5,9,23-tetramethoxy-2,8,14,21-tetramethyl-17,27-dioxo-16,28-dioxabicyclo23.3.1nonacosa-6,12,18,20,25-pentaen-15-yl-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-enyl-N-methylformamide| |
| xanthochymol |
natural product |
Garcinia spp |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia| |
3D viewer |
Pubchem |
|
5476629 |
52617-32-0 |
CC(=CCC1CC2(C(=O)C(=C(C3=CC(=C(C=C3)O)O)O)C(=O)C(C2=O)(C1(C)C)CC=C(C)C)CC(CCC(=C)C)C(=C)C)C |
TZZQZCIACNYHBG-MVJHLKBCSA-N |
602.81200 |
C38H50O6 |
10.6 |
6 |
3 |
112.00 |
11.0 |
44 |
|
|
Xanthochymol|52617-32-0|NSC 247527|AC1NUFCR|NSC247527|NSC-247527|(3Z)-3-(3,4-dihydroxyphenyl)-hydroxymethylidene-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-(5-methyl-2-prop-1-en-2-ylhex-5-enyl)bicyclo3.3.1nonane-2,4,9-trione|Bicyclo(3.3.1)non-3-ene-2,9-dione, 3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-1,7-bis(3-methyl-2-butenyl)-5-(5-methyl-2-(1-methylethenyl)-5-hexenyl)-, (1S-(1alpha,5alpha,5(S*),7beta))- (9CI)|Bicyclo3.3.1non-3-ene-2, 3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-1,7-bis(3-methyl-2-butenyl)-5-5-methyl-2-(1-methylethenyl)-5-hexenyl-, 1S-1.alpha.,5.alpha.,5(S*),7.beta.-| |
| garcinol |
natural product |
Garcinia spp|Garcinia indica| |
Path=MMP9 pathway|PTGS2 pathway| |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|Oral Squamous Cell Carcinoma| |
3D viewer |
Pubchem |
|
5281560 |
78824-30-3 |
CC(=CCC1CC2(C(=O)C(=C(C3=CC(=C(C=C3)O)O)O)C(=O)C(C2=O)(C1(C)C)CC=C(C)C)CC(CC=C(C)C)C(=C)C)C |
DTTONLKLWRTCAB-UDFURZHRSA-N |
602.81200 |
C38H50O6 |
10.3 |
6 |
3 |
112.00 |
10.0 |
44 |
|
Apoptosis-Inducing Effect of Garcinol Is Mediated by NF-kB Signaling in Breast Cancer Cells|Garcinol Modulates Tyrosine Phosphorylation of FAK and Subsequently Induces Apoptosis Through Down-Regulation of Src, ERK, and Akt Signaling in Human Colon Cancer CellsSurvival|Dietary garcinol inhibits 4-nitroquinoline 1-oxide-induced tongue carcinogenesis in rats| |
Garcinol|78824-30-3|C09929|CHEBI:5276|SCHEMBL14917227|(1R,5R,7R)-3-(3,4-Dihydroxybenzyol)-4-hydroxy-8,8-dimethyl-1,7-bis(3-methyl-2-buten-1-yl)-5-(2S)-5-methyl-2-(1-methylethenyl)-4-hexen-1-ylbicyclo3.3.1non-3-ene-2,9-dione|(1S,3Z,5R,7R)-3-(3,4-dihydroxyphenyl)-hydroxy-methylene-1-(2S)-2-isopropenyl-5-methyl-hex-4-enyl-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)bicyclo3.3.1nonane-2,4,9-trione|Bicyclo3.3.1non-3-ene-2,9-dione,3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-1,7-bis(3-methyl-2-buten-1-yl)-5-(2S)-5-methyl-2-(1-methylethenyl)-4-hexen-1-yl-,(1R,5R,7R)-| |
| 22-hydroxyhalicyclamine A |
natural product |
Amphidinium sp |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell| |
3D viewer |
Pubchem |
|
56660805 |
No Cas |
C1CCCC2CN3CCC=CC=CCCCCC4=CC(C2CC3)CN(C4)CC(C=CC=CCC1)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O |
XZMQDSCQMQPYKG-KOMXMDNFSA-N |
706.81100 |
C36H52F6N2O5 |
NaN |
13 |
3 |
101.00 |
0.0 |
49 |
|
Tetradehydrohalicyclamine A and 22-hydroxyhalicyclamine A, new cytotoxic bis-piperidine alkaloids from a marine sponge Amphimedon sp. |
|
| Betalain |
natural product |
Opuntia ficus-indica |
Path=BCL2 pathway|CYCS pathway|PARP1 pathway| |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia| |
3D viewer |
Pubchem |
|
56841626 |
37279-84-8 |
C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)CO)O)O)O)C(=O)[O-])C(=O)O)C(=O)O |
DHHFDKNIEVKVKS-MLZDZRTESA-N |
550.47300 |
C24H26N2O13 |
-0.9 |
14 |
8 |
249.00 |
6.0 |
39 |
|
Betanin a betacyanin pigment purified from fruits of Opuntia ficus-indica induces apoptosis in human chronic myeloid leukemia Cell line-K564.|Betanin a betacyanin pigment purified from fruits of Opuntia ficus-indica induces apoptosis in human chronic myeloid leukemia Cell line-K563.|Betanin a betacyanin pigment purified from fruits of Opuntia ficus-indica induces apoptosis in human chronic myeloid leukemia Cell line-K562.| |
Betalains|37279-84-8|DTXSID80190731| |
| 6-methyl-4-chromanone |
natural product |
Aegle marmelos |
|
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia| |
3D viewer |
Pubchem |
|
584354 |
39513-75-2 |
CC1=CC2=C(C=C1)OCCC2=O |
RJHXEPLSJAVTFW-UHFFFAOYSA-N |
162.18800 |
C10H10O2 |
1.7 |
2 |
0 |
26.30 |
0.0 |
12 |
|
In vitro antiproliferative effects on human tumor cell lines of extracts from the Bangladeshi medicinal plant Aegle marmelos Correa. |
6-methylchroman-4-one|39513-75-2|6-Methyl-4-chromanone|6-Methyl-2,3-dihydro-4H-chromen-4-one|6-methyl-2,3-dihydrochromen-4-one|RJHXEPLSJAVTFW-UHFFFAOYSA-N|4H-1-Benzopyran-4-one, 2,3-dihydro-6-methyl-|AC1LBKMY|PubChem17932|ACMC-1CTTD |
| microsphaerone A |
natural product |
Microsphaeropsis spp |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia| |
3D viewer |
Pubchem |
|
636775 |
|
CC(CC(=O)NC(=O)C1=COC(=CC1=O)C=CC=CCCCCCCC(=O)O)C(=O)O |
VXFQAPGOPXEMPB-ZDHJVBDKSA-N |
433.45700 |
C22H27NO8 |
3 |
8 |
|
147.00 |
13.0 |
31 |
|
Microsphaerones A and B, two novel gamma-pyrone derivatives from the sponge-derived fungus Microsphaeropsis sp. |
Microsphaerone A|AC1LCSW4|CHEMBL464700|11-5-(3-Carboxy-butyrylcarbamoyl)-4-oxo-4H-pyran-2-yl-undeca-8,10-dienoic acid|(8E,10E)-11-(5-{(3-carboxybutanoyl)aminocarbonyl}-4-oxo-4H-pyran-2-yl)undeca-8,10-dienoic acid|(8E,10E)-11-5-(3S)-4-hydroxy-3-methyl-4-oxobutanoylcarbamoyl-4-oxopyran-2-ylundeca-8,10-dienoic acid|8,10-undecadienoic acid, 11-5-(3S)-3-carboxy-1-oxobutylaminocarbonyl-4-oxo-4H-pyran-2-yl-, (8E,10E)-|InChI=1/C22H27NO8/c1-15(22(29)30)12-19(25)23-21(28)17-14-31-16(13-18(17)24)10-8-6-4-2-3-5-7-9-11-20(26)27/h4,6,8,10,13-15H,2-3,5,7,9,11-12H2,1H3,(H,26,27)(H,29,30)(H,23,25,28)/b6-4+,10-8+/t15-/m0/s| |
| magnolialid |
natural product |
Chicorium intybus |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma| |
3D viewer |
Pubchem |
|
636954 |
72145-13-2 |
CC1=C2C3C(CCC2(C(CC1)O)C)C(=C)C(=O)O3 |
STUGAIDUQVESQE-WJNVRWDZSA-N |
248.32200 |
C15H20O3 |
1.6 |
3 |
1 |
46.50 |
0.0 |
18 |
|
Differentiation-inducing effect of magnolialide, a 1 beta-hydroxyeudesmanolide isolated from Cichorium intybus, on human leukemia cells.|Differentiation-inducing effect of magnolialide, a 2 beta-hydroxyeudesmanolide isolated from Cichorium intybus, on human leukemia cells.| |
Magnolialide|72145-13-2|AC1LCT7V|DTXSID10348400|(3aS,5aR,6R,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-benzog1benzofuran-2-one|6-Hydroxy-5a,9-dimethyl-3-methylene-3a,4,5,5a,6,7,8,9b-octahydro-3H-naphtho1,2-bfuran-2-one|InChI=1/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h10-11,13,16H,2,4-7H2,1,3H3/t10-,11+,13-,15-/m0/s|naphtho1,2-bfuran-2(3H)-one, 3a,4,5,5a,6,7,8,9b-octahydro-6-hydroxy-5a,9-dimethyl-3-methylene-, (3aS,5aR,6R,9bS)-|rel-(3aR,5aS,6S,9bR)-6-hydroxy-5a,9-dimethyl-3-methylene-3a,4,5,5a,6,7,8,9b-octahydronaphtho1,2-bfuran-2(3H)-one| |
| cembrene A |
natural product |
Nephthea brassica |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Cervical Cancer|Cervical Carcinoma Papilloma |Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma| |
3D viewer |
Pubchem |
|
6427092 |
|
CC1=CCCC(=CCC=C(C=CC(CC1)C(C)C)C)C |
DMHADBQKVWXPPM-GMVDCNKVSA-N |
272.47600 |
C20H32 |
6 |
0 |
0 |
0.00 |
1.0 |
20 |
|
Cytotoxic terpenoids from the Formosan soft coral Nephthea brassica. |
3(Z)-Cembrene A|AC1O5B2T|AC1O537L|DMHADBQKVWXPPM-GMVDCNKVSA-N|(1E,3Z,6E,10E)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-1,3,6,10-tetraene|(1E,3Z,6E,10Z)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-1,3,6,10-tetraene| |
| undecylprodigiosin |
natural product |
Saccharopolyspora sp |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma| |
3D viewer |
Pubchem |
|
6438379 |
No Cas |
CCCCCCCCCCCC1=CC=C(N1)C=C2C(=CC(=C3C=CC=N3)N2)OC |
ISFCPXILUVJVOC-KYGJEJSHSA-N |
393.57500 |
C25H35N3O |
6.7 |
3 |
2 |
49.40 |
12.0 |
29 |
|
Potent in vitro anticancer activity of metacycloprodigiosin and undecylprodigiosin from a sponge-derived actinomycete Saccharopolyspora sp. nov.| |
|
| amphidinolide D |
natural product |
Amphidinium sp |
|
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|Cervical Cancer|Cervical Carcinoma Papilloma | |
3D viewer |
Pubchem |
|
6439238 |
110786-78-2 |
CC1CC2C(O2)C=CCCC=C(C(=O)OC(CC(C(C(C(=O)CC(CC(C(=CC(=C)C1)C)(C)O)O)O)O)C)C)C |
PYXZGBVSQBXPDQ-KMSMVZOSSA-N |
562.74400 |
C32H50O8 |
3.5 |
8 |
4 |
137.00 |
0.0 |
40 |
|
Amphidinolides H2-H5, G2, and G3, new cytotoxic 26- and 30-membered macrolides from dinoflagellate Amphidinium sp.|Amphidinolides H2-H5, G2, and G3, new cytotoxic 26- and 41-membered macrolides from dinoflagellate Amphidinium sp.| |
Amphidinolide B|110786-78-2|AC1O5R9Q|(6Z,20Z)-8,10,13,14-tetrahydroxy-3,7,8,15,17,20-hexamethyl-5-methylidene-18,27-dioxabicyclo24.1.0heptacosa-6,20,24-triene-12,19-dione|9,27-Dioxabicyclo(24.1.0)heptacosa-2,6,20-triene-8,15-dione, 13,14,17,19-tetrahydroxy-7,10,12,19,20,24-hexamethyl-22-methylene-| |
| Agelasine G |
natural product |
Raspailia sp |
|
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia| |
3D viewer |
Pubchem |
|
6439452 |
No Cas |
CC1CCC2(C(C1(C)CCC(=CC[NH+]3CN(C4=C3C(=NC=N4)N)C)C)CCC=C2COC(=O)C5=CC(=CN5)Br)C |
CFXKQCPPCNHNCZ-DAYZJRKYSA-O |
612.63700 |
C31H44BrN6O2+ |
7.5 |
6 |
3 |
102.00 |
9.0 |
40 |
|
Terpenyl-purines from the sea |
AC1O5RPB|(4aS,5R,6S,8aR)-5-(E)-5-(6-amino-9-methyl-7,8-dihydropurin-7-ium-7-yl)-3-methylpent-3-enyl-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-ylmethyl 4-bromo-1H-pyrrole-2-carboxylate|7H-Purinium, 6-amino-7-(5-(5-((((4-bromo-1H-pyrrol-2-yl)carbonyl)oxy)methyl)-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a-trimethyl-1-naphthalenyl)-3-methyl-2-pentenyl)-9-methyl-, (1R-(1alpha(E),2beta,4aalpha,8aalpha))-| |
| beta-aescin |
natural product |
Aesculus hippocastanum |
|
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma| |
3D viewer |
Pubchem |
|
6441501 |
|
CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CO)OC(=O)C.CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CO)OC(=O)C |
YFESOSRPNPYODN-LNXBMLMBSA-N |
2262.53800 |
C110H172O48 |
NaN |
48 |
26 |
776.00 |
32.0 |
158 |
|
Beta-aescin: a potent natural inhibitor of proliferation and inducer of apoptosis in human chronic myeloid leukemia K562 cells in vitro.|Beta-escin inhibits colonic aberrant crypt foci formation in rats and regulates the cell cycle growth by inducing p21(waf1/cip1) in colon/rectal cancer cells.| |
beta-Aescusan|beta-Reparil|AC1O5VFK|SCHEMBL15531983|Beta-Escin, beta-Reparil, beta-Aescinu|LS-64705|FT-0630390|A802240|(2S,3S,4S,5R,6R)-6-(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(Z)-2-methylbut-2-enoyloxy-8-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yloxy-3,5-bis(2|(2S,3S,4S,5R,6R)-6-(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(Z)-2-methyl-1-oxobut-2-enoxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yloxy-4-hydroxy| |
| epolactaene |
natural product |
Penicillium sp |
|
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Central Nervous System Cancers|Neuroblastoma|Non-Hodgkin's Lymphomas|B-cell lymphoma|Histiocytic Lymphoma|Adult T-cell leukemia/lymphoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma| |
3D viewer |
Pubchem |
|
6442272 |
167782-17-4 |
CC=C(C=C(C)C=CCCC=C(C)C(=O)C12C(O1)C(NC2=O)(C)O)C(=O)OC |
GFRNQYUCUNYIEN-ZLXMTJSISA-N |
389.44800 |
C21H27NO6 |
2.5 |
6 |
2 |
105.00 |
9.0 |
28 |
|
A novel lipid compound, epolactaene, induces apoptosis: its action is modulated by its side chain structure.|Structure-activity relationships of epolactaene derivatives: structural requirements for inhibition of Hsp60 chaperone activity.| |
Epolactaene|AC1O5WWB|167782-17-4|CHEMBL183869|methyl (2E,3E,5E,9E)-2-ethylidene-11-(1R,5R)-2-hydroxy-2-methyl-4-oxo-6-oxa-3-azabicyclo3.1.0hexan-5-yl-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate| |
| Philinopsides E |
natural product |
Pentacta quadrangulari |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Breast Carcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-small Cell Lung Cancer|Lung Embryonic Fibroblasts|Lung Adenocarcinoma|Lung Epithelial Carcinoma|Skin Cancer|Skin Epidermoid Carcinoma| |
3D viewer |
Pubchem |
|
6450123 |
137578-58-6 |
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(OC(C3OC(=O)C=CC4=CC(=C(C=C4)O)OC)CO)OCCC5=CC(=C(C=C5)O)O)O)C)O)O)O)O)O |
VJZBGZNQVVWWSO-RMKNXTFCSA-N |
784.76100 |
C36H48O19 |
-1.3 |
19 |
10 |
293.00 |
14.0 |
55 |
|
Philinopsides E and F, two new sulfated triterpene glycosides from the sea cucumber Pentacta quadrangularis |
Phlinoside E|137578-58-6|AC1O5144|3,4-Dihydroxy-beta-phenylethoxy-O-alpha-L-rhamnopyranosyl(1-2)-alpha-L-rhamnopyranosyl(1-3)-4-feruloyl-beta-D-glucopyranoside|4-4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yloxy-6-2-(3,4-dihydroxyphenyl)ethoxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate|beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-, 4-(3-(4-hydroxy-3-methoxyphenyl)-2-propenoate), (E)-| |
| aurantoside D |
natural product |
Siliquariaspongia japonica |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell| |
3D viewer |
Pubchem |
|
6475500 |
No Cas |
CC1C(C(C(O1)OC2COC(C(C2O)O)OC3C(C(COC3N4C(C(=O)C(=C4O)C(=O)C=CC=CC=CC=CC=C(C=CC=C(C)Cl)Cl)CC(=O)N)O)O)O)O |
IUSIZVXMYIMUHS-NINWEDIOSA-N |
829.67400 |
C37H46Cl2N2O15 |
0.8 |
16 |
8 |
268.00 |
15.0 |
56 |
|
Aurantosides D, E, and F: new antifungal tetramic acid glycosides from the marine sponge Siliquariaspongia japonica. |
|
| aurantoside E |
natural product |
Siliquariaspongia japonica |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell| |
3D viewer |
Pubchem |
|
6475501 |
No Cas |
CC1C(C(C(O1)OC2COC(C(C2O)O)OC3C(C(COC3N4C(C(=O)C(=C4O)C(=O)C=CC=CC=CC=CC=C(C=CC=C(C)Cl)Cl)CC(=O)N)O)O)OC)O |
YHZIVTRFRQDOTD-FXCXJXMSSA-N |
843.70100 |
C38H48Cl2N2O15 |
1.4 |
16 |
7 |
257.00 |
16.0 |
57 |
|
Aurantosides D, E, and F: new antifungal tetramic acid glycosides from the marine sponge Siliquariaspongia japonica. |
|
| aurantoside F |
natural product |
Siliquariaspongia japonica |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell| |
3D viewer |
Pubchem |
|
6475525 |
No Cas |
CC1C(C(C(O1)OC2COC(C(C2O)O)OC3C(C(COC3N4C(C(=O)C(=C4O)C(=O)C=CC=CC=CC=C(C=CC=CC=C(C)Cl)Cl)CC(=O)N)O)O)OC)O |
PELZHXAISHUYNC-VNERNCSFSA-N |
843.70100 |
C38H48Cl2N2O15 |
1.4 |
16 |
7 |
257.00 |
16.0 |
57 |
|
Aurantosides D, E, and F: new antifungal tetramic acid glycosides from the marine sponge Siliquariaspongia japonica. |
|
| Hemicalyculin A |
natural product |
Discodermia calyx |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell| |
3D viewer |
Pubchem |
|
6518180 |
No Cas |
CC1C(CC2(C(C(C(O2)C(C)CC(C)C(C)C(C)C(C)C=C(C)C(=CC=CC(=CC#N)C)C)OP(=O)(O)O)(C)C)OC1CC=CC3=COC(=N3)C(C)CCNC(=O)C(C(C(COC)N(C)C)O)O)O |
DDLAOQXXRIYRDI-GFXIWYOESA-N |
989.24200 |
C52H85N4O12P |
5.5 |
15 |
6 |
237.00 |
25.0 |
69 |
|
Insight into binding of calyculin A to protein phosphatase 1: isolation of hemicalyculin a and chemical transformation of calyculin A. |
hemicalyculin A|AC1O745M|3-(8E,10E,12E,14Z)-15-cyano-4,5,6,7,9,10,14-heptamethylpentadeca-8,10,12,14-tetraen-2-yl-9-(E)-3-2-4-4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanoylaminobutan-2-yl-1,3-oxazol-4-ylprop-2-enyl-7-hydroxy-1,1,8-trimethyl-4,10-dioxaspiro4.5decan-2-yl dihydrogen phosphate| |
| alpha-pinene |
natural product |
Satureja hortensis|Satureja montana|Cratoxylum cochinchinense|Platycladus orientalis|Schinus terebinthifolius| |
Path=CASP3 pathway| |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Kidney Cancer|Renal Cell Adenocarcinoma|Melanoma|Murine Melanoma|Amelanotic melanoma| |
3D viewer |
Pubchem |
|
6654 |
72510-05-5 |
CC1=CCC2CC1C2(C)C |
GRWFGVWFFZKLTI-UHFFFAOYSA-N |
136.23800 |
C10H16 |
2.8 |
0 |
0 |
0.00 |
0.0 |
10 |
|
Antiproliferative activity of essential oils derived from plants belonging to the Magnoliophyta division.|Cytotoxic and NF-?B inhibitory constituents of the stems of Cratoxylum cochinchinense and their semisynthetic analogues.|Antiproliferative effects of essential oils and their major constituents in human renal adenocarcinoma and amelanotic melanoma cells|?-Pinene isolated from Schinus terebinthifolius Raddi (Anacardiaceae) induces apoptosis and confers antimetastatic protection in a melanoma model.| |
ALPHA-PINENE|2-Pinene|80-56-8|Acintene A|.alpha.-Pinene|2,6,6-Trimethylbicyclo3.1.1hept-2-ene|Pinene isomer|PINENE, ALPHA|pin-2(3)-ene|Bicyclo3.1.1hept-2-ene, 2,6,6-trimethyl- |
| pseudolarolide C |
natural product |
Pseudolarix kaempferi |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell| |
3D viewer |
Pubchem |
|
6711551 |
No Cas |
CC1CC2(CC(C(=O)O2)C)OC3C1C4(CCC56CC5(C(CCC6C4(C3)C)C(C)(C)O)CCC(=O)OC)C |
YBQWVVDWBNHYPN-TZXWZJMFSA-N |
516.71900 |
C31H48O6 |
6 |
6 |
1 |
82.10 |
5.0 |
37 |
|
The isolation and structural elucidation of four novel triterpene lactones, pseudolarolides A, B, C, and D, from Pseudolarix kaempferi. |
Pseudolarolide C|NSC630838|NSC-630838|NCI60_010048| |
| 1,5-naphthalenediol |
natural product |
Sanicula lamelligera |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma| |
3D viewer |
Pubchem |
|
6749 |
83-56-7 |
C1=CC2=C(C=CC=C2O)C(=C1)O |
BOKGTLAJQHTOKE-UHFFFAOYSA-N |
160.17200 |
C10H8O2 |
1.8 |
2 |
2 |
40.50 |
0.0 |
12 |
|
Sesquiterpene and norsesquiterpene derivatives from Sanicula lamelligera and their biological evaluation.| |
naphthalene-1,5-diol|1,5-DIHYDROXYNAPHTHALENE|83-56-7|1,5-Naphthalenediol|1,5-Dihydroxy naphthalene|Oxidation Base|Durafur Developer E|1,5-Dihydroxynapthalene|CI 76625|C.I. 76625 |
| Dihydroxyterephtalic acid |
natural product |
Inonotus obliquus |
Path=NFKB2 pathway| |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|NFKB1 |
3D viewer |
Pubchem |
|
69131 |
610-92-4 |
C1=C(C(=CC(=C1O)C(=O)O)O)C(=O)O |
OYFRNYNHAZOYNF-UHFFFAOYSA-N |
198.13000 |
C8H6O6 |
1.4 |
6 |
4 |
115.00 |
2.0 |
14 |
|
Identification of a novel blocker of IkappaBalpha kinase activation that enhances apoptosis and inhibits proliferation and invasion by suppressing nuclear factor-kappaB |
2,5-Dihydroxyterephthalic acid|610-92-4|1,4-Benzenedicarboxylic acid, 2,5-dihydroxy-|2,5-dihydroxyterephthalicacid|2,5-Dihydroxy-1,4-benzenedicarboxylic acid|2,5-dihydroxybenzene-1,4-dicarboxylic acid|OYFRNYNHAZOYNF-UHFFFAOYSA-N|MFCD00132933|AK-89799|AQ-776/42801115 |
| peloruside A |
natural product |
Mycale hentscheli|Mycale spp| |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma| |
3D viewer |
Pubchem |
|
6918506 |
|
CCC(CO)C=C(C)C1CC(CC(C(C2(C(C(CC(O2)CC(C(C(=O)O1)O)OC)OC)O)O)(C)C)O)OC |
NETARJWZTMGMRM-JRTPPQMASA-N |
548.67000 |
C27H48O11 |
0.8 |
11 |
5 |
164.00 |
7.0 |
38 |
|
Peloruside A enhances apoptosis in H-ras-transformed cells and is cytotoxic to proliferating T cells.|The novel cytotoxic sponge metabolite peloruside A, structurally similar to bryostatin-1, has unique bioactivity independent of protein kinase C.|Peloruside A inhibits microtubule dynamics in a breast cancer cell line MCF7.|Peloruside A, a novel antimitotic agent with paclitaxel-like microtubule- stabilizing activity.| |
Peloruside A|(-)-peloruside A|AC1OCFIL|CHEBI:77692|RTA-301|(1S,3S,4R,7R,9R,11R,13S,14S,15S)-4,11,13,14-tetrahydroxy-7-(2Z,4S)-4-(hydroxymethyl)hex-2-en-2-yl-3,9,15-trimethoxy-12,12-dimethyl-6,17-dioxabicyclo11.3.1heptadecan-5-one|(1S,3S,4R,7R,9R,11R,13S,14S,15S)-4,11,13,14-tetrahydroxy-7-(Z,4S)-4-(hydroxymethyl)hex-2-en-2-yl-3,9,15-trimethoxy-12,12-dimethyl-6,17-dioxabicyclo11.3.1heptadecan-5-one| |
| (+)-S-Myricanol |
natural product |
Myrica rubra |
|
Dis=Acute Myeloid Leukemia|Basophilic Leukemia| |
3D viewer |
Pubchem |
|
71307369 |
No Cas |
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)OC1C(C(C(C(O1)CO)O)O)O |
MHURRARJCUBUMO-ZJCALYCDSA-N |
600.96600 |
C36H72O6 |
13.2 |
6 |
4 |
99.40 |
30.0 |
42 |
|
Bioactive constituents of Chinese natural medicines. VII. Inhibitors of degranulation in RBL-2H3 cells and absolute stereostructures of three new diarylheptanoid glycosides from the bark of Myrica rubra |
C27H36O10|W2739| |
| coptisine |
natural product |
Coptis chinensis |
|
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Hepatoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma| |
3D viewer |
Pubchem |
4D9X 4P1D 4L5K |
72321 |
6020-18-4 |
C1C[N+]2=C(C=C3C=CC4=C(C3=C2)OCO4)C5=CC6=C(C=C51)OCO6 |
XYHOBCMEDLZUMP-UHFFFAOYSA-N |
320.32400 |
C19H14NO4 |
3.5 |
5 |
0 |
40.80 |
0.0 |
25 |
|
Cytotoxic effects of Coptis chinensis and Epimedium sagittatum extracts and their major constituents (berberine, coptisine and icariin) on hepatoma and leukaemia cell growth |
COPTISINE CHLORIDE|6020-18-4|Coptisine, chloride|Coptisine (chloride)|Coptisine hydrochloride|Coptisine-chloride|Q-100696|NSC-119754|6,7-Dihydrobis1,3benzodioxolo5,6-a:4',5'-gquinolizinium chloride|C19H14ClNO4 |
| gamma-terpinene |
natural product |
Satureja hortensis|Satureja montana| |
|
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia| |
3D viewer |
Pubchem |
|
7461 |
99-85-4 |
CC1=CCC(=CC1)C(C)C |
YKFLAYDHMOASIY-UHFFFAOYSA-N |
136.23800 |
C10H16 |
2.8 |
0 |
|
0.00 |
1.0 |
10 |
|
Antiproliferative activity of essential oils derived from plants belonging to the Magnoliophyta division. |
GAMMA-TERPINENE|p-Mentha-1,4-diene|99-85-4|Crithmene|Moslene|gamma-Terpinen|1,4-p-Menthadiene|1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-|4-Isopropyl-1-methyl-1,4-cyclohexadiene|TERPINENE, ALPHA |
| Vanillic acid |
natural product |
Plantago major |
|
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma| |
3D viewer |
Pubchem |
|
8468 |
121-34-6 |
COC1=C(C=CC(=C1)C(=O)O)O |
WKOLLVMJNQIZCI-UHFFFAOYSA-N |
168.14800 |
C8H8O4 |
1.4 |
4 |
2 |
66.80 |
2.0 |
12 |
|
Antileukemic activity of selected natural products in Taiwan |
Vanillic acid|4-HYDROXY-3-METHOXYBENZOIC ACID|121-34-6|Acide vanillique|p-Vanillic acid|Benzoic acid, 4-hydroxy-3-methoxy-|3-Methoxy-4-hydroxybenzoic acid|Vanillate|m-Anisic acid, 4-hydroxy-|Protocatechuic acid, 3-methyl ester |
| mannan |
natural product |
Aloe saponaria |
Path=IL2RA pathway| |
Dis=Acute Myeloid Leukemia|Acute Myeloid Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Neuroendocrine Tumors|Pheochromocytoma|Non-Melanoma Skin Cancers|Fibroblast| |
3D viewer |
Pubchem |
|
439626 |
38819-01-1 |
C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)O)CO)CO)CO)O)O)O)O |
LUEWUZLMQUOBSB-UHFFFAOYSA-N |
666.57900 |
C24H42O21 |
-9 |
21 |
14 |
348.00 |
10.0 |
45 |
|
Mannan from Aloe saponaria inhibits tumoral cell activation and proliferation. |
Cellotetraose|D-Cellotetraose|38819-01-1|D-(+)-Cellotetraose|beta-D-Glcp-(1->4)-beta-D-Glcp-(1->4)-beta-D-Glcp-(1->4)-D-Glcp|beta-D-glucopyranosyl-(1->4)-beta-D-glucoopyranosyl-(1->4)-beta-D-glucoopyranosyl-(1->4)-D-glucoopyranose|O-CTE|AC1L97PQ|CHEBI:62974|Cellotetraose, >=85% (HPLC) |
| 3,4-Dihydroxybenzaldehyde |
natural product |
Inonotus obliquus |
Path=NFKB4 pathway| |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|NFKB1 |
3D viewer |
Pubchem |
|
8768 |
134998-43-9 |
C1=CC(=C(C=C1C=O)O)O |
IBGBGRVKPALMCQ-UHFFFAOYSA-N |
138.12200 |
C7H6O3 |
1.3 |
3 |
2 |
57.50 |
1.0 |
10 |
|
Identification of a novel blocker of IkappaBalpha kinase activation that enhances apoptosis and inhibits proliferation and invasion by suppressing nuclear factor-kappaB |
3,4-Dihydroxybenzaldehyde|Protocatechualdehyde|139-85-5|Rancinamycin IV|PROTOCATECHUIC ALDEHYDE|Benzaldehyde, 3,4-dihydroxy-|3,4-Dihydroxybenzenecarbonal|4-Formyl-1,2-dihydroxybenzene|3,4-dihydroxy-benzaldehyde|4-Formyl-1,2-benzenediol |
| friedelin |
natural product |
Acer mandshuricum |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer | |
3D viewer |
Pubchem |
|
91472 |
559-74-0 |
CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C |
OFMXGFHWLZPCFL-SVRPQWSVSA-N |
426.72900 |
C30H50O |
9.8 |
1 |
0 |
17.10 |
0.0 |
31 |
|
Triterpene compounds isolated from Acer mandshuricum and their anti-inflammatory activity. |
Friedelin|Friedeline|559-74-0|D:A-Friedooleanan-3-one|Friedelan-3-one|UNII-AK21264UAD|(-)-Friedelin|AK21264UAD|CHEBI:5171|CHEMBL485998 |
| 2,3-dihydroxypropyl ester |
natural product |
Schisandra chinensis |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma| |
3D viewer |
Pubchem |
|
95408 |
6284-43-1 |
CCCCCCC(CCCCCCCCCCC(=O)OCC(CO)O)O |
RVNAQNUKCZKJCP-UHFFFAOYSA-N |
374.56200 |
C21H42O5 |
5.5 |
5 |
3 |
87.00 |
20.0 |
26 |
|
A new triterpene and dibenzocyclooctadiene lignans from Schisandra propinqua (WALL.) BAILL.| |
2,3-Dihydroxypropyl 12-hydroxyoctadecanoate|6284-43-1|GLYCEROL MONOHYDROXYSTEARATE|Octadecanoic acid, 12-hydroxy-, 2,3-dihydroxypropyl ester|W-110100|NSC 7399|EINECS 228-507-4|EC 228-507-4|SCHEMBL375986|AC1L3U90 |
| Resveratrol |
autophagy |
Vitis vinifera|Polygonum cuspidatum|Veratrum grandiflorum|Eucalyptus wandoo|Sinularia depressa|Daemonorops draco|Semen phaseoli|Picea glehnii|Rumex maritimus|Dryopteris crassirhizoma|Pleuropterus ciliinervis|Veratrum nigrum var. ussuriense|Gnetum latifolium|Hedysarum connatum|Humulus lupulus|Pseudoalteromonas luteoviolacea|Cassia dentata|Trifolium dubium|Sphaerella laricina|Hypericum laricifolium|Morus alba|Testa arachidis hypogaeae|Artemisia assoana|Adansonia grandidieri|Oroxylum indicum|Caragana tibetica|Aconitum seravschanicum|Dumortiera hirsuta|Ampelopsis glandulosa var. brevipedunculata|Rheum wittrocki|Senecio subdentatus|Streptomyces avermitilis|Fallopia multiflora|Arachis hypogaea|Drechslera avenae|Swertia franchetiana|Bassia muricata|Rheum coreanum|Cudrania javanensis|Sabina sargentii|Adiantum lunulatum|Rheum officinale|Nasutitermes ephratae|Bishovia boliviensis|Rheum palmatum|Vitis spp.|Acacia adunca|Chaenomeles sinensis|Rheum tanguticum|Veratrum album|Vatica rassak|Onobrychis arenaria|Caragana aurantiaca|Rubia cordifolia|Annona cornifolia|Eucalyptus melliodora|Smilax china|Broussonetia papyrifera|Vitis spp|Peltostigma guatemalense|Marrubium anisodon|Lavandula vera|Smilax glabra|Rauvolfia vomitoria|Biancaea decapetala|Ampelopsis brevipedunculata|Wikstroemia retusa|Cotyledon secunda|Vigna angularis|Enceliopsis argophylla|Caesalpinia decapetala|Pastinaca sativa|Calostephane divaricata|Vigna umbellata|Anacystis montana|Polygonum multiflorum|Naucleopsis ternstroemiiflora|Salvia syriaca|Vigna umbeuata|Laurencia spectabilis|Dictyopteris australis|Cytophaga hutchinsoni|Asterospicularia laurae|Scutellaria amoena|Eria mollis|Solanum laxum|Artocarpus dadah|Lepisorus ussuriensis|Amathia pinnata|Gnetum parvifolium|Alstonia spathulata|Gadus morhua callarias|Miliusa velutina|Phoebe pittieri|Aphyllocladus denticulatus|Eriocheir sinensis|Epichloe festucae var. lolii|Blastochloris viridis|Astragalus sempervirens|Dendriopoterium menendezii|Physalis alkekengi|Psychotria stachyoides|Olibanun|Premna odorata|Goniothalamus malayanus|Rivularia firma|Boehmeriae rhizoma et radix|Pinus sibirica|Justicia secunda|Aster sedifolius|Leathesia nana|Polygoni cuspidati rhizoma et radix|Ipomoea digitata|Neobalanocarpus heimii|Isaria fumosorosea|Zanthoxylum tetraspermum|Ampelopsis japonica|Aconitum tasiromontanum|Viguiera incana|Dodonaea viscosa|Smilax menispermoidea|Flacourtia jangomas|Dysoxylum cumingianum|Belamcandae rhizome|Radix cudraniae|Teucrium yemense|Helipterum roseum|Mori fructus|Lysimachia mauritiana|Rattus rattus|Iris domestica|Caulocystis cephalornithos|Vaccinium oxycoccos|Bulla striata| |
Gen=Autophagy|NAD(P)H dehydrogenase [quinone] 1 - Mus musculus | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Survival motor neuron protein - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Cytochrome P450 1A2 - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Cytochrome P450 2C19 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Pyruvate kinase - Leishmania mexicana | Lysine-specific demethylase 4D-like - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Prelamin-A/C - Homo sapiens | Cytochrome P450 19A1 - Homo sapiens | Monoamine oxidase B - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Histone acetyltransferase GCN5 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens |Org= Plasmodium falciparum|Carbonic anhydrase II - Homo sapiens | Carbonic anhydrase XIV - Homo sapiens | Carbonic anhydrase I - Homo sapiens | Carbonic anhydrase 15 - Mus musculus | Carbonic anhydrase VA - Homo sapiens | Carbonic anhydrase VB - Homo sapiens | Carbonic anhydrase IV - Homo sapiens | Carbonic anhydrase III - Homo sapiens | Carbonic anhydrase XII - Homo sapiens | Carbonic anhydrase XIII - Homo sapiens | Carbonic anhydrase VI - Homo sapiens | Carbonic anhydrase VII - Homo sapiens | Carbonic anhydrase IX - Homo sapiens| Chromobox protein homolog 1 - Homo sapiens | NAD-dependent deacetylase sirtuin 1 - Homo sapiens | Prenyltransferase homolog - Streptomyces coelicolor A3 | Estrogen receptor beta - Homo sapiens | Beta amyloid A4 protein - Homo sapiens | P-glycoprotein 1 - Homo sapiens | Protein-tyrosine phosphatase 1B - Homo sapiens | Cyclooxygenase-1 - Homo sapiens | Tyrosine-protein kinase LCK - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | 78 kDa glucose-regulated protein - Homo sapiens | Cyclooxygenase-1 - Ovis aries | Tyrosinase - Agaricus bisporus | Cyclooxygenase-2 - Homo sapiens | Transient receptor potential cation channel subfamily A member 1 - Rattus norvegicus | Androgen Receptor - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Regulator of G-protein signaling 4 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | M-phase phosphoprotein 8 - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Zinc finger protein mex-5 - Caenorhabditis elegans | Aryl hydrocarbon receptor - Oryctolagus cuniculus | Monoamine oxidase A - Homo sapiens | Niemann-Pick C1 protein - Homo sapiens | Serine/threonine-protein kinase mTOR - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Ornithine decarboxylase - Homo sapiens | Apoptosis regulator Bcl-X - Homo sapiens | Alpha-1d adrenergic receptor - Rattus norvegicus | Arachidonate 15-lipoxygenase, type II - Homo sapiens | Leukotriene A4 hydrolase - Homo sapiens | N1L - Vaccinia virus | Huntingtin - Homo sapiens | M18 aspartyl aminopeptidase - Plasmodium falciparum 3D7 | Norepinephrine transporter - Homo sapiens | Nitric oxide synthase, inducible - Mus musculus | Nuclear receptor ROR-gamma - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Large T antigen - Simian virus 40 | Carbonic anhydrase II - Homo sapiens | Bcr/Abl fusion protein - Homo sapiens | Tyrosinase - Mus musculus | Ras-related protein Rab-9A - Homo sapiens | NAD-dependent deacetylase sirtuin 2 - Homo sapiens | Cytochrome P450 1A1 - Homo sapiens | Cyclooxygenase-2 - Ovis aries | Sucrase-isomaltase - Rattus norvegicus | Tyrosinase - Homo sapiens | Cholinesterase - Equus caballus | Acidic alpha-glucosidase - Rattus norvegicus | Cerebroside-sulfatase - Homo sapiens | Lysosomal alpha-glucosidase - Homo sapiens | FAD-linked sulfhydryl oxidase ALR - Homo sapiens | Peripheral myelin protein 22 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | Quinone reductase 2 - Homo sapiens | Bloom syndrome protein - Homo sapiens | Cytochrome P450 1B1 - Homo sapiens | Protein kinase C alpha - Homo sapiens | Cathepsin L - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | Canalicular multispecific organic anion transporter 1 - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Carbonic anhydrase IX - Homo sapiens | 6-phospho-1-fructokinase - Trypanosoma brucei |Org= Filobasidiella neoformans | Pseudomonas aeruginosa PAO1 | Streptococcus mutans | Plasmodium falciparum | Candida albicans SC5314 | Helicobacter pylori | Neofusicoccum luteum | Human immunodeficiency virus 1 | Chromobacterium violaceum | Neisseria gonorrhoeae | Candida albicans | Streptococcus sanguinis | Staphylococcus aureus | Tetrahymena thermophila | Saccharomyces cerevisiae | Agrobacterium tumefaciens | Pseudomonas aeruginosa | Leishmania donovani |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Non-Melanoma Skin Cancers|Fibroblast|Non-small Cell Lung Cancer|Lewis Lung carcinoma |Gen=Autophagy |
3D viewer |
Pubchem |
4JAZ 1DVS 4QOH 4QOJ |
445154 |
501-36-0 |
C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O |
LUKBXSAWLPMMSZ-UHFFFAOYSA-N |
228.24000 |
C14H12O3 |
3.09 |
0 |
3 |
60.70 |
2.0 |
17 |
2 |
Resveratrol has a wide spectrum of targets including cyclooxygenases(i.e. COX, IC50=1.1 ?M), lipooxygenases?LOX, IC50=2.7 ?M?, kinases, sirtuins and other proteins. It has anti-cancer, anti-inflammatory, blood-sugar-lowering and other beneficial cardiovascular effects. |
N/A |
| variolin B |
natural product |
Kirkpatrickia variolosa |
Path=CDKN1A pathway|TP53 pathway| |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Ovarian Cancer|Epithelial Ovarian Cancer | |
3D viewer |
Pubchem |
4MNB 3BHV |
9817550 |
|
C1=CNC2=C(C1=O)C(=C3N2C(=NC=C3)N)C4=NC(=NC=C4)N |
RTHKPHCVZVYDFN-UHFFFAOYSA-N |
293.29000 |
C14H11N7O |
1.1 |
7 |
3 |
124.00 |
1.0 |
22 |
|
Variolin B and its derivate deoxy-variolin B: new marine natural compounds with cyclin-dependent kinase inhibitor activity. |
VARIOLIN B|9-amino-5-(2-aminopyrimidin-4-yl)pyrido3',2':4,5pyrrolo1,2-cpyrimidin-4-ol|CHEMBL380500|SCHEMBL13175404|BDBM50398327|DB08694| |
| dehydroaltenusin |
natural product |
Alternaria tenuis|Acremonium spp| |
|
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Cervical Cancer|Cervical Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma| |
3D viewer |
Pubchem |
|
9879020 |
34279-44-2 |
CC12C=C(C(=O)C=C1C3=CC(=CC(=C3C(=O)O2)O)OC)O |
YWYZLBQRCUAQAV-UHFFFAOYSA-N |
288.25500 |
C15H12O6 |
1.7 |
6 |
2 |
93.10 |
1.0 |
21 |
|
Dehydroaltenusin is a specific inhibitor of mammalian DNA polymerase ?|The effects of dehydroaltenusin, a novel mammalian DNA polymerase alpha inhibitor, on cell proliferation and cell cycle progression.|Anti-tumor effects of dehydroaltenusin, a specific inhibitor of mammalian DNA polymerase alpha.| |
dehydroaltenusin|CHEMBL594151|YWYZLBQRCUAQAV-UHFFFAOYSA-|34279-44-2|InChI=1/C15H12O6/c1-15-6-12(18)10(16)5-9(15)8-3-7(20-2)4-11(17)13(8)14(19)21-15/h3-6,17-18H,1-2H3| |
| anthothecol |
natural product |
Aphanamixis grandifolia |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell| |
3D viewer |
Pubchem |
|
99980 |
10410-83-0 |
CC(=O)OC1CC2(C(CC3C2(O3)C4(C1C5(C=CC(=O)C(C5=C(C4=O)O)(C)C)C)C)C6=COC=C6)C |
AJTULIWKBMDPCJ-UHFFFAOYSA-N |
480.55700 |
C28H32O7 |
3.1 |
7 |
1 |
106.00 |
3.0 |
35 |
|
The structure of amoorastatone and the cytotoxic limonoid 14-hydroxyamoorastatin. |
ANTHOTHECOL|10410-83-0|NSC-302036|NSC302036|NSC 302036|AC1Q6PDS|AC1L41A6|(11alpha,13alpha,14beta,15beta,17alpha)-11-(Acetyloxy)-14,15:21,23-diepoxy-6-hydroxy-4,4,8-trimethyl-24-norchola-1,5,20,22-tetraene-3,7-dione|17-(furan-3-yl)-6-hydroxy-4,4,8-trimethyl-3,7-dioxo-14,15-epoxyandrosta-1,5-dien-11-yl acetate|24-Norchola-1,5,20,22-tetraene-3,7-dione, 11-(acetyloxy)-14,15:21,23-diepoxy-6-hydroxy-4,4,8-trimethyl-, (11alpha,13alpha,14beta,15beta,17alpha)-| |
| (3S)-3,5,7-Trihydroxy-2-[(2S,3S)-3-(4-Hydroxy-3-Methoxyphenyl)-2-(Hydroxymethyl)-2,3-Dihydro-1,4-Benzodioxin-6-Yl]-2,3-Dihydrochromen-4-One |
natural product |
Silybum marianum |
Path=ERBB2 pathway|TP53 pathway|MYC pathway|SLC2A4 pathway|AKT1 pathway|TBC1D4 pathway|CASP3 pathway|LDHA pathway|PSA pathway|N/A|BCL2L1 pathway|MAPK14 pathway|MMP9 pathway|JUN pathway|MAP2K1 pathway|MAPK1 pathway|MAPK3 pathway|MAPK8 pathway|RAF1 pathway|CYCS pathway|EGFR pathway|IGF1R pathway|PTK2 pathway|VEGFA pathway|BID pathway|BIRC5 pathway|CASP8 pathway|CASP9 pathway|CFLAR pathway|TNFRSF10C pathway|DDIT3 pathway|TNFRSF10B pathway|FOS pathway|JUND pathway|MAPK9 pathway|MMP2 pathway|NFKB1 pathway|NFKB2 pathway|PLAU pathway|EIF4G1 pathway|HIF1A pathway|MTOR pathway|RPS6 pathway|RPS6KB2 pathway|STAT3 pathway|SPDEF pathway|CCND1 pathway|MCL1 pathway|EIF2A pathway|PARP1 pathway|Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | DNA polymerase iota - Homo sapiens | DNA polymerase eta - Homo sapiens | Large T antigen - Simian virus 40 | Geminin - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus |Org= Plasmodium falciparum |
Dis=Breast Cancer|Breast Adenocarcinoma|Ductal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Central Nervous System Cancers|Glioblastoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
16211710 |
No Cas |
COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O |
SEBFKMXJBCUCAI-ILJKEPSESA-N |
482.12000 |
C25H22O10 |
-3.3761 |
3 |
5 |
155.14 |
10.0 |
35 |
5 |
Microsphere-based protease assays and screening application for lethal factor and factor Xa.|High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.|Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
(2S,3S)-2-(2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)(2H,3H-benzo e1,4-dioxin-6-yl)-3,5,7-trihydroxychroman-4-one|(3S)-3,5,7-trihydroxy-2-(2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl-3,4-dihydro-2H-1-benzopyran-4-one|MLS001332412|AC1Q469Y|CHEMBL245121|SCHEMBL14029301|Silibinin, >=98% (HPLC)|2,3-Dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-6-(3,5,7-trihydroxy-4-oxobenzopyran-2-yl)benzodioxin|SBB001469|AKOS024280615|ST033522|A816402|Silybin, United States Pharmacopeia (USP) Reference Standard| |
| Laxilorin L |
natural product |
Isodon eriocalyx |
|
Dis=Bladder Cancer|Transitional Cell Carcinoma|Chronic Myelogenous Leukemia|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
20056083 |
No Cas |
CC1(C2CC(=O)C3(C1C(C(=O)C45C3CCC(C4)C(=C)C5O)O)CO2)C |
ZVTIMIWZIJWASI-QIGNSDIUSA-N |
346.18000 |
C20H26O5 |
-0.8628 |
5 |
2 |
83.83 |
4.0 |
25 |
3 |
|
|
| n.a. |
natural product |
Isodon eriocalyx |
|
Dis=Bladder Cancer|Transitional Cell Carcinoma|Chronic Myelogenous Leukemia |
3D viewer |
Pubchem |
|
11782888 |
No Cas |
CC1(C2CC(=O)C3(C1C(C(=O)C45C3CCC(C4)C(=C)C5=O)O)CO2)C |
LWOAEMJVKDXOEG-ZOWAPRDESA-N |
344.16000 |
C20H24O5 |
-0.6159 |
5 |
1 |
80.67 |
3.0 |
25 |
3 |
|
|
| Dihydrotanshinone I |
natural product |
Salvia digitaloides|Salvia miltiorrhizae |Asphodeline tenuior|Salvia bowleyana|Artemisia siversiana|Salvia przewalskii|Allochromatium minutissimum|Salvia przewalskii var. mandarinorum|Stauntonia obovatifoliola|Salvia flava|Delphinium cyphoplectrum|Wisteria sinensis|Metzgeria pubescens|Salvia miltiorrhiza|Euphorbia sancta|Camptothecium lutescens|Salvia trijuga|Hydrolithon reinboldii|Deguelia hatschbachii|Iris hoogiana|Amentotaxus yunnanensis|Pleurophycus gardneri|Phallusia fumigata|Amaranthus hybr|Bothriocline longipes|Uvaria klaineana|Rhabdia lycioides|Salvia castanea|Palmaria palmata|Salvia yunnanensis|Viburnum sieboldi|Salvia prionitis|Agathosma thymifolia|Cladonia bellidiflora|Euphorbia retusa|Glycine falcata|Decachaeta ovatifolia|Salvia bulleyana|Dioscorea communis|Senecio madagascariensis|Picradeniopsis pringlei|Salvia sinica|Notholaena dealbata|Streptomyces lateritius|Glycyrrhiza triphylla|Ritterella rubra|Vicia sativa |
Path=CASP3 pathway|CASP8 pathway|CASP9 pathway|PARP1 pathway|BAX pathway|N/A|Cholinesterase - Equus caballus | Acetylcholinesterase - Homo sapiens | SARS coronavirus 3C-like proteinase - SARS coronavirus | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Carboxylesterase 2 - Homo sapiens | Aldose reductase - Rattus norvegicus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Vitamin D receptor - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | DNA polymerase kappa - Homo sapiens | Protein-tyrosine phosphatase 1C - Homo sapiens | Protein-tyrosine phosphatase 2C - Homo sapiens | Acyl coenzyme A:cholesterol acyltransferase - Homo sapiens | Protease - Human immunodeficiency virus 1 | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Breast Adenocarcinoma|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |
3D viewer |
Pubchem |
4M0E |
11425923 |
87205-99-0 |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C=CC=C4C |
HARGZZNYNSYSGJ-JTQLQIEISA-N |
278.09000 |
C18H14O3 |
-0.0693 |
3 |
0 |
43.37 |
2.0 |
21 |
4 |
Antibacterial activities of cryptotanshinone and dihydrotanshinone I from a medicinal herb, Salvia miltiorrhiza Bunge.|15,16-dihydrotanshinone I suppresses the activation of BV-2 cell, a murine microglia cell line, by lipopolysaccharide.|Abietane diterpenes from Salvia miltiorrhiza inhibit the activation of hypoxia-inducible factor-1.|Tanshinone congeners improve memory impairments induced by scopolamine on passive avoidance tasks in mice.|15,16-dihydrotanshinone I, a major component from Salvia miltiorrhiza Bunge (Dansham), inhibits rabbit platelet aggregation by suppressing intracellular calcium mobilization.|Reactive oxygen species-mediated kinase activation by dihydrotanshinone in tanshinones-induced apoptosis in HepG2 cells. |
Dihydrotanshinone I|15,16-dihydrotanshinone I|87205-99-0|UNII-562G9360V6|DIHYDROTANSHINONE|(-)-Dihydrotanshinone I|562G9360V6|Tanshinone I, dihydro-|SR-05000002191|HSDB 8105|Dihydrotanshinone-I|4m0e|CHEMBL227075|SCHEMBL13049977|DTXSID20236187|HARGZZNYNSYSGJ-JTQLQIEISA-N|MolPort-039-052-252|HY-N0360|ZINC2585546|BDBM50423877|AKOS032962078|CCG-208567|Dihydrotanshinone I, >=98% (HPLC)|NCGC00163651-01|D5379|N1844|SR-05000002191-2|SR-05000002191-3|(1R)-1,6-dimethyl-1,2-dihydrophenanthro1,2-bfuran-10,11-dione|(1R)-1,6-dimethyl-1,2-dihydronaphtho1,2-g1benzofuran-10,11-dione|Phenanthro1,2-bfuran-10,11-dione,1,2-dihydro-1,6-dimethyl-, (1R)-| |
| Paclitaxel |
autophagy |
Phyllosticta tabernaemontanae|Stephania japonica|Dioscorea collettii|Dioscorea futschauensis|Dioscorea nipponica|Dioscorea collettii var. hypoglauca|Cocculus trilobus|Dioscorea zingiberensis|Dioscorea althaeoides|Taxus brevifolia|Stephania hernandifolia|Dioscorea hypoglauca|Torreya grandis| |
Gen=Autophagy,Microtubule Associated|anticancer||Cholinesterase - Equus caballus | Tubulin alpha chain - Sus scrofa | Receptor protein-tyrosine kinase erbB-2 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | Nonstructural protein 1 - Influenza A virus | Cholecystokinin A receptor - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Cytochrome P450 3A4 - Homo sapiens | Cruzipain - Trypanosoma cruzi | Serine/threonine-protein kinase mTOR - Homo sapiens | Glucocorticoid receptor - Homo sapiens | Delta opioid receptor - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Androgen Receptor - Homo sapiens | Melanocortin receptor 5 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Geminin - Homo sapiens | Vitamin D receptor - Homo sapiens | Bloom syndrome protein - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Neurokinin 2 receptor - Homo sapiens | Multidrug resistance-associated protein 7 - Homo sapiens | Prelamin-A/C - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Tyrosine-protein kinase FYN - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | P-glycoprotein 1 - Homo sapiens | Bile salt export pump - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Ataxin-2 - Homo sapiens | Cytochrome P450 1A2 - Homo sapiens | Niemann-Pick C1 protein - Homo sapiens | Regulator of G-protein signaling 4 - Homo sapiens | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 2 - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Peripheral myelin protein 22 - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Botulinum neurotoxin type A - Clostridium botulinum | Alpha-synuclein - Homo sapiens | Solute carrier family 22 member 1 - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Ras-related protein Rab-9A - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens |Org= Oryctolagus cuniculus | Plasmodium falciparum | Artemia | Sus scrofa |
Dis=acute myeloid leukemia|human leukemia|Breast Cancer|Breast Carcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Gen=Cytoskeletal Signaling |
3D viewer |
Pubchem |
5HNW 5HNX 5HNZ 6B0C |
36314 |
33069-62-4 |
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C |
RCINICONZNJXQF-MZXODVADSA-N |
853.91000 |
C47H51NO14 |
3.055 |
11 |
3 |
221.00 |
14.0 |
62 |
7 |
Paclitaxel is a microtubule polymer stabilizer with IC50 of 0.1 pM in human endothelial cells. |
NSC 125973 |
| Ethylgallate |
natural product |
Terminalia arjuna|Aulacocephalus temmincki|Trichilia rubescens|Euphorbiae helioscopiae herba|Lactarius camphoratus|Castanopsis sclerophylla|Pyrostegia venusta|Dimocarpus longan|Mutisia spinosa|Euphorbia ebracteolata|Narcissus concolor|Polycephalomyces nipponicus|Centaurea squarrosa|Euphorbia fischeriana|Sideritis nutans|Aaptos aaptos|Ruta pinnata|Gleditsia japonica|Kaunia saltensis|Cleome chrysantha|Kaempferia marginata|Gleditsia sinensis|Xylopia brasiliensis|Alseodaphne corneri|Heliotropium floridum|Litsea rotundifolia|Rumex chalepensis|Nauclea officinalis|Sophora angustifolia|Viscaria viscosa|Mangifera indica|Rumex japonicus|Streptomyces parvisporogenes|Canarium album|Stenomesson miniatum|Fridericia chica|Bersama yangambiensis|Terminalia chebula|Rubrivivax gelatinosus|Aronia arbutifolia|Thymus piperella|Ilex hainanensis|Radix paeoniae rubra|Heterotheca grandiflora|Parabenzoin trilobum|Ophiolepis superba|Forsteronia refracta|Rhodiola crenulata|Nephelium lappaceum|Castanea mollissima|Senecio callosus|Salvia dorrii|Tagetes erecta|Pteris dactylina|Clibadium mexiae|Disynaphia halimifolia|Brassica oleracea var. sabauda|Hovenia acerba|Fagara zanthoxyloides|Morus rubra|Bombax ceiba|Melicope sarcococca|Streptomyces blastmyceticus|Clematis angustifolia|Rhodiola sacra|Plinia cauliflora|Celtis reticulosa|Crinipellis scabella|Eragrostis viscosa|Rhus coriaria|Pteris australis|Ideopsis similis|Acacia arabica|Rana amurensis|Juglans nigra|Acer tataricum subsp. ginnala|Aconitum nevadense|Papilio phorcas|Toona sinensis|Stevia polycephala|Gleditsiae fructus|Oncoba echinata|Paeoniae radix alba|Metagentiana rhodantha|Conocephalum japonicum|Combretum indicum|Eleutherococcus senticosus|Bombax malabaricum|Gymnocarpium robertianum|Diospyros kaki|Rosa chinensis|Cordylanthus kingii|Saussureae involucratae herba|Acer ginnala|Justicia hayatai|Potentilla discolor|Doodia picta|Ampelopsis glandulosa var. brevipedunculata|Ampelopsis brevipedunculata|Arisaematis rhizoma|Croton cumingii|Annona impressivenia|Kitasatospora mediocidica|Canarii fructus|Uncaria guianensis|Psora corallina|Acanthopanax senticosus|Teucrium depressum|Phyllanthi fructus|Aspergillus unguis|Grewia mollis|Gleditsiae spina|Cystophora scalaris|Eunicella cavolinii|Mori cortex|Discaria serratifolia |
Squalene monooxygenase - Rattus norvegicus |Org= Microsporum gypseum | Human immunodeficiency virus 1 | Ralstonia solanacearum | Candida albicans |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Central Nervous System Cancers|Glioblastoma|Kidney Cancer|kidney cancer|Melanoma|malignant melanoma|Non-small Cell Lung Cancer|large cell carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Org=Microsporum gypseum | Human immunodeficiency virus 1 | Ralstonia solanacearum | Candida albicans |
3D viewer |
Pubchem |
4JUI 4J0K |
13250 |
831-61-8 |
CCOC(=O)C1=CC(=C(C(=C1)O)O)O |
VFPFQHQNJCMNBZ-UHFFFAOYSA-N |
198.05000 |
C9H10O5 |
-1.1193 |
2 |
3 |
86.99 |
7.0 |
14 |
1 |
Structural organization of male-specific visual neurons in calliphorid optic lobes.|Antineoplastic agents 338. The cancer cell growth inhibitory. Constituents of Terminalia arjuna (Combretaceae).|Potent and selective inhibition of squalene epoxidase by synthetic galloyl esters.|Ellagitannins and hexahydroxydiphenoyl esters as inhibitors of vertebrate squalene epoxidase.|Free radical lipid peroxidation inhibits enzymatic conversion of beta-carotene into vitamin A.|Analytical method of measuring tea catechins in human plasma by solid-phase extraction and HPLC with electrochemical detection. |
ETHYL GALLATE|831-61-8|Ethyl 3,4,5-trihydroxybenzoate|Gallic acid ethyl ester|Phyllemblin|Nipagallin A|Progallin A|Ethylgallate|Nipa No. 48|Gallic acid, ethyl ester|Benzoic acid, 3,4,5-trihydroxy-, ethyl ester|NIPA 48|3,4,5-Trihydroxybenzoic acid ethyl ester|Ethyl-3,4,5-trihydroxybenzoate|Ethylester kyseliny gallove|UNII-235I6UDD3L|NSC 402626|Ethylester kyseliny gallove Czech|EINECS 212-608-5|BRN 2116014|235I6UDD3L|CHEMBL453196|CHEBI:87247|VFPFQHQNJCMNBZ-UHFFFAOYSA-N|NSC402626|AK-94174|Q-100846|Gallic acid ethyl ester, 99%|ACMC-209prg|AC1L21CR|SCHEMBL39599|Ethyl 3,5-trihydroxybenzoate|Ethyl-3,5-trihydroxybenzoate|DTXSID2061195|CTK3I9864|KS-00000UUX|ZINC21790|MolPort-001-789-638|BCP15872|HY-N0525|ANW-37658|BDBM50244948|ethyl 3,4,5-tris(oxidanyl)benzoate|MFCD00016430|SBB060353|STL303724|AKOS015838687|ANGC-831-61-8|3,5-Trihydroxybenzoic acid ethyl ester|FCH1115869|MCULE-8091178078|NSC-402626|RTR-025915|TRA0026459|4CN-0941|AC-11363|AJ-08436|AN-47754|CC-28918|DS-17928|E313|LS-71055|SC-16437|ST098712|ZB000787|3,4,5-Trihydroxy-benzoic acid ethyl ester|AX8011261|Benzoic acid,4,5-trihydroxy-, ethyl ester|DB-056687|TR-025915|CS-0009060|E0854|FT-0626594|G0016|ST24030535|Ethyl Gallate(Ethyl 3,4,5-Trihydroxybenzoate)|Ethyl gallate, antioxidant, >=96.0% (HPLC)|A840515|C-09182|I01-1134|F1905-7042|6359F896-3057-40AA-81CD-5734DCE29C20|52441-13-1| |
| (-)-epigallocatechin |
autophagy |
Diospyros kaki|Myrica rubra|green tea|Paeonia albiflora|Senegalia catechu|Apocynum venetum|Crataegus pinnatifida|Ginkgo biloba|Hypericum perforatum|Morus alba|Solanum nigrum|Spatholobus suberectus|Caulis millettiae|Caulis spatholobi|Citrus wilsonii|Cynanchum chinense|Paeonia lactiflora|Radix paeoniae rubra|Xanthoceras sorbifolium|Nasutitermes ephratae|Nototodarus sloanii| |
Path=ODC1 pathway|Glucose-6-phosphate 1-dehydrogenase - Saccharomyces cerevisiae S288c |Org= Plasmodium falciparum|Beta-secretase 1 - Homo sapiens | Cyclooxygenase-2 - Homo sapiens | Cyclooxygenase-1 - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Basophilic Leukemia|Gen=Others |
3D viewer |
Pubchem |
1JNQ |
72277 |
970-74-1 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O |
XMOCLSLCDHWDHP-IUODEOHRSA-N |
306.27000 |
C15H14O7 |
1.779 |
1 |
6 |
131.00 |
1.0 |
22 |
3 |
(-)-Epigallocatechin, widespread in plants, has been shown to exhibit anti-tumor, anti-cancer and anti-inflammatory functions. |
N/A |
| Guggulsterone |
natural product |
Commiphora wightii|Streptomyces sahachiroi|Baptisia minor|Tricalysia okelensis|Angylocalyx oligophyllus|Eucalyptus microcorys|Achromobacter piechaudii|Abutilon indicum|Eupatorium inulifolium|Hedera rhombea |
Path=CCND1 pathway|CDC2 pathway|MAPK8 pathway|MYC pathway|PTGS2 pathway|CASP3 pathway|CASP9 pathway|CDKN1A pathway|IFI27 pathway|BCL2 pathway|BCL2A1 pathway|BIRC3 pathway|BIRC5 pathway|CFLAR pathway|CHUK pathway|MAP3K14 pathway|MMP9 pathway|NFKB1 pathway|TNF pathway|TRADD pathway|TRAF1 pathway|TRAF2 pathway|VEGFA pathway|XIAP pathway|BAK1 pathway|BCL2L1 pathway|BAX pathway|CASP8 pathway|Gen=lipoprotein disorders|Bile acid receptor FXR - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Glucocorticoid receptor - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Survival motor neuron protein - Homo sapiens | Mineralocorticoid receptor - Homo sapiens | Pregnane X receptor - Homo sapiens | Progesterone receptor - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Androgen Receptor - Homo sapiens | Nuclear receptor ROR-gamma - Homo sapiens | Phospholipase A2 group 1B - Homo sapiens | Retinoid X receptor alpha - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens |Org= Plasmodium falciparum |
Dis=Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Head and Neck Cancers|head and neck squamous cell carcinoma|head andneckprimary keratinocytes|Oral Squamous Cell Carcinoma|Kidney Cancer|human embryonic kidney contains adenovirus|Melanoma|malignant melanoma|Multiple Myeloma|Multiple Myeloma |Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Normal bronchial epithelial|Ovarian Cancer|Epithelial Ovarian Cancer |Prostate Cancer|Prostate Adenocarcinoma| |
3D viewer |
Pubchem |
|
6450278 |
39025-23-5 |
CC=C1C(=O)CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C |
WDXRGPWQVHZTQJ-OSJVMJFVSA-N |
312.21000 |
C21H28O2 |
1.2873 |
2 |
0 |
34.14 |
3.0 |
23 |
4 |
A study of effect of guggulsterone on hyperlipidemia of secondary glomerulopathy.|A natural product that lowers cholesterol as an antagonist ligand for FXR.|Guggulsterone inhibits NF-kappaB and IkappaBalpha kinase activation, suppresses expression of anti-apoptotic gene products, and enhances apoptosis.|Regulation of carbohydrate metabolism by the farnesoid X receptor.|The ratio of constitutive androstane receptor to pregnane X receptor determines the activity of guggulsterone against the Cyp2b10 promoter.|Guggulsterones induce apoptosis and differentiation in acute myeloid leukemia: identification of isomer-specific antileukemic activities of the pregnadienedione structure. |
(Z)-Guggulsterone|Guggulsterone|Z-Guggulsterone|39025-23-5|Guggulsterones Z|Guggulsterone E&Z|95975-55-6|Cis-Guggulsterone|UNII-6CST3U34GN|GUGGULSTERONE Z|6CST3U34GN|(Z)-Pregna-4,17(20)-diene-3,16-dione|(17Z)-Pregna-4,17(20)-diene-3,16-dione|Gugulsterone|Guggulsterone, (Z)-|Pregna-4,17(20)-diene-3,16-dione, (17Z)-|Guggulsterones E&Z|GS|4,17(20)-trans-Pregnadiene-3,16-dione|AC1O51DD|DSSTox_CID_13539|DSSTox_RID_79083|DSSTox_GSID_33539|SCHEMBL141657|CHEMBL410683|DTXSID1033539|BDBM21725|CHEBI:135338|MolPort-003-941-496|WDXRGPWQVHZTQJ-OSJVMJFVSA-N|BCP18087|Tox21_202518|MFCD01310757|AKOS015963432|ZINC118912814|(Z)-Guggulsterone, analytical standard|AC-6215|NCGC00091910-01|NCGC00260067-01|AC-28813|BC215995|(17Z)-pregna-4,17-diene-3,16-dione|CAS-39025-23-5|V2228|(Z)-Guggulsterone, >=89% (HPLC), powder|975G556|BRD-K26674531-001-01-3|UNII-A4PW148END component WDXRGPWQVHZTQJ-OSJVMJFVSA-N|Guggulsterone Z, United States Pharmacopeia (USP) Reference Standard|(1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethyltetracyclo8.7.0.0^{2,7}.0^{11,15}heptadec-6-ene-5,13-dione|(8R,9S,10R,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopentaaphenanthrene-3,16-dione|137682-26-9| |
| 5-Hydroxy-2-(3-Hydroxy-4-Methoxyphenyl)-3,6,7,8-Tetramethoxychromen-4-One |
natural product |
Gardenia obtusifolia|Heliotropium eichwaldii|Salvia digitaloides|Ligularia lamarum|Chrysosplenium echinus|Canella winterana|Kuehneromyces mutabilis|Carlina acaulis|Eumorphia sericea|Cirsium tanakae|Acacia pycnantha|Crangon vulgaris|Streptomyces chattanoogensis|Thermopsis alpina|Turricula parryi|Asterogyne martiana|Beilschmiedia volckii|Gutierrezia microcephala|Flemingia chappar|Decachaeta thieleana|Berkheya zeyheri|Garcinia pseudoguttifera|Calonectria cylindrospora|Narcissus obesus|Aloe vulgaris|Sporobolus cynosuroides|Clausena lansium|Sophora exigua|Halobacterium salinarum|Daphne giraldii|Afrocarpus falcatus|Alpinia allughas|Phyllanthus discoideus|zieridium pseudobtusifolium|Thalictrum cultratum|acronychia porteri|Agelas nakamurai|Chaetomium globosum|Baccharis magellanica|Eupatorium birmanicum|Lippia mexicana|Beta vulgaris|Uncaria laevigata|Phorbas amaranthus|Trichoderma polysporum|Ericameria diffusa|Chaetomium subaffine|Eriostemon thryptomenoides|Xanthium pungens|Cystoseira jabukae|Nicotiana debneyi|Ocotea pulchella |
Path=BCL2L1 pathway|BIRC5 pathway|CCND1 pathway|CDC2 pathway|CDKN1A pathway|CFLAR pathway|MMP9 pathway|MYC pathway|NFKB1 pathway|NFKBIA pathway|PTGS2 pathway|RELA pathway|XIAP pathway|Tubulin alpha chain - Sus scrofa |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia |
3D viewer |
Pubchem |
|
369954 |
No Cas |
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3O)OC)OC)OC)OC)O |
GVLMRDDSMVCWKB-UHFFFAOYSA-N |
404.11000 |
C20H20O9 |
-2.0233 |
2 |
2 |
112.91 |
13.0 |
29 |
3 |
Antitumor agents. 166. Synthesis and biological evaluation of 5,6,7,8-substituted-2-phenylthiochromen-4-ones.|Antitumor agents. Part 204: synthesis and biological evaluation of substituted 2-aryl quinazolinones.|Antiproliferative and cytostatic effects of the natural product eupatorin on MDA-MB-468 human breast cancer cells due to CYP1-mediated metabolism.|Differential chemosensitization of P-glycoprotein overexpressing K562/Adr cells by withaferin A and Siamois polyphenols.|How to deal with low-resolution target structures: using SAR, ensemble docking, hydropathic analysis, and 3D-QSAR to definitively map the -tubulin colchicine site. |
5,3'-dihydroxy-3,6,7,8,4'-pentamethoxyflavone|NSC642321|AC1Q6E1H|CHEMBL18351|AC1L801J|SCHEMBL7921852|CTK7A7130|LMPK12113341|NSC-642321|NCI60_014334|3',5-Dihydroxy-3,4',6,7,8-pentamethoxyflavone|5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7,8-tetramethoxychromen-4-one| |
| Vladimuliecin B |
natural product |
Vladimiria muliensis |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Cervical Cancer|Cervical Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma |
3D viewer |
Pubchem |
|
44179108 |
No Cas |
CC(C1CCC2(C1(CCC3C2(CC(C45C3(CCC4C5)C)O)O)C)O)OC(=O)C |
CZFZYEPCYFVTBZ-NWUCDKBLSA-N |
392.26000 |
C23H36O5 |
-0.8293 |
5 |
3 |
86.99 |
10.0 |
28 |
5 |
|
|
| Silybin A |
natural product |
Silybum marianum|Folium pini |
Path=ERBB2 pathway|TP53 pathway|MYC pathway|SLC2A4 pathway|AKT1 pathway|TBC1D4 pathway|CASP3 pathway|LDHA pathway|PSA pathway|N/A|BCL2L1 pathway|MAPK14 pathway|MMP9 pathway|JUN pathway|MAP2K1 pathway|MAPK1 pathway|MAPK3 pathway|MAPK8 pathway|RAF1 pathway|CYCS pathway|EGFR pathway|IGF1R pathway|PTK2 pathway|VEGFA pathway|BID pathway|BIRC5 pathway|CASP8 pathway|CASP9 pathway|CFLAR pathway|TNFRSF10C pathway|DDIT3 pathway|TNFRSF10B pathway|FOS pathway|JUND pathway|MAPK9 pathway|MMP2 pathway|NFKB1 pathway|NFKB2 pathway|PLAU pathway|EIF4G1 pathway|HIF1A pathway|MTOR pathway|RPS6 pathway|RPS6KB2 pathway|STAT3 pathway|SPDEF pathway|CCND1 pathway|MCL1 pathway|EIF2A pathway|PARP1 pathway|Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | DNA polymerase iota - Homo sapiens | DNA polymerase eta - Homo sapiens | Large T antigen - Simian virus 40 | Geminin - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus |Org= Plasmodium falciparum |
Dis=Breast Cancer|Breast Adenocarcinoma|Ductal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Central Nervous System Cancers|Glioblastoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
31553 |
22888-70-6 |
COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O |
SEBFKMXJBCUCAI-HKTJVKLFSA-N |
482.12000 |
C25H22O10 |
-3.3761 |
3 |
5 |
155.14 |
10.0 |
35 |
5 |
Inhibition of reverse transcriptases by flavonoids.|Silymarin retards collagen accumulation in early and advanced biliary fibrosis secondary to complete bile duct obliteration in rats.|Stimulatory effects of silibinin and silicristin from the milk thistle Silybum marianum on kidney cells.|Flavonolignan and flavone inhibitors of a Staphylococcus aureus multidrug resistance pump: structure-activity relationships.|Effect of silybin and its congeners on human liver microsomal cytochrome P450 activities.|Silybin-beta-cyclodextrin in the treatment of patients with diabetes mellitus and alcoholic liver disease. Efficacy study of a new preparation of an anti-oxidant agent. |
silibinin|Silybin|22888-70-6|SILYMARIN|Silymarin I|Flavobin|Silibinin A|Silybin A|Silibinine|Silliver|Silybine|Silibininum|Silibinina|Flavobin Spofa|Silymarine I|Silibinin INN|Silymarine|Silibinine INN-French|Silibininum INN-Latin|Silibinina INN-Spanish|7C3MT|Legalon|UNII-33X338MNE4|EINECS 245-302-5|NSC 651520|Silibin|Silimarin|CHEBI:9144|33X338MNE4|Silibinin (INN)|C25H22O10|NSC651520|NCGC00091057-01|DSSTox_CID_6018|DSSTox_RID_77985|DSSTox_GSID_26018|(2R,3R)-3,5,7-trihydroxy-2-((2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydrobenzob1,4dioxin-6-yl)chroman-4-one|silybinin|Silibinin (mixture of A/B isomers)|Silybin (7CI)|Silybin (Mixture of Silybin A and B)|(2R,3R)-3,5,7-trihydroxy-2-(2R,3R)-3-(4-hydroxy-3-methoxy-phenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-ylchroman-4-one|(2R,3R)-3,5,7-trihydroxy-2-(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl-2,3-dihydro-4H-chromen-4-one|3,5,7-Trihydroxy-2-(3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxan-6-yl)-4-chromanone|4H-1-Benzopyran-4-one, 2,3-dihydro-2-(2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl)-3,5,7-trihydroxy-, (2R-(2-alpha,3-beta,6(2R*,3R*)))-|4H-1-Benzopyran-4-one, 2-(2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl)-2,3-dihydro-3,5,7-trihydroxy-, (2R-(2alpha,3beta,6(2R*,3R*)))-|CAS-22888-70-6|36804-17-8|dura-silymarin|CCRIS 9378|65666-07-1|802918-57-6|Legalon (TN)|Silibinin (Silybin)|Silybin, Technical grade|AC1L1LUB|AC1Q6OSA|Spectrum2_001694|Spectrum3_001132|Spectrum4_001978|Spectrum5_001893|BSPBio_002623|KBioGR_002481|MLS001304057|SCHEMBL324884|SPECTRUM1505256|SPBio_001648|CHEMBL431701|MEGxp0_001301|DTXSID8026018|KBio3_002123|KS-00000KGH|MolPort-001-741-606|SEBFKMXJBCUCAI-HKTJVKLFSA-N|HMS1922P05|HMS2232P03|2,3-Dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-6-(3,5,7-trihydroxy-4-oxobenzopyran-2-yl)benzodioxin|2-2R,3R-Dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl-2R,3R-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one|ZINC2033589|Tox21_111070|Tox21_200755|AN-924|BDBM50084982|CCG-38779|MFCD03225424|s2357|Silibinin solution, 20 mM in DMSO|Silybin, mixture of isomers A and B|AKOS004119918|Tox21_111070_1|API0026191|CS-2128|DB09298|DS-9661|LS-2125|MCULE-6463439345|MCULE-8379030042|NSC-651520|SDCCGMLS-0066916.P001|SMP2_000323|NCGC00091057-02|NCGC00091057-03|NCGC00091057-05|NCGC00258309-01|Silybin A (constituent of milk thistle)|4H-1-Benzopyran-4-one, 2-(2R,3R)-2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-|AK168081|BP-30210|HY-13748|R765|SMR000718776|SBI-0207018.P001|Silibinin, disposable screening library format|88S706|D08515|W-2484|AB00876265_06|SR-01000799140|Q-100291|SR-01000799140-2|BRD-K80353138-001-02-2|BRD-K80353138-001-07-1|Silibinin mixture of A (2R,3R) and B (2R,3R) isomers|UNII-4RKY41TBTF component SEBFKMXJBCUCAI-HKTJVKLFSA-N|Silibinin (mixture of A/B isomers) solution, 20 mM in DMSO|(2R,3R)-3,5,7-trihydroxy-2-((2,3-anti)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydrobenzob1,4dioxin-6-yl)chroman-4-one|(2R,3R)-3,5,7-Trihydroxy-2-((2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydrobenzo|(2R,3R)-3,5,7-trihydroxy-2-(3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydrobenzob1,4dioxin-6-yl)chroman-4-one|(2R,3R)-3,5,7-Trihydroxy-2-(2R,3R)-3-(4-hydroxy-3-methoxy-phenyl)-2-hydroxymethyl-2,3-dihydro-benzo1,4dioxin-6-yl-chroman-4-one|(2R,3R)-3,5,7-trihydroxy-2-(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl-2,3-dihydrochromen-4-one|(2R,3R)-3,5,7-Trihydroxy-2-3-(4-hydroxy-3-methoxy-phenyl)-2-hydroxymethyl-2,3-dihydro-benzo1,4dioxin-6-yl-chroman-4-one|11054-49-2|11076-05-4|11076-06-5|142796-20-1|22888-69-3|27359-03-1|28577-40-4|29832-10-8|3,5,7-Trihydroxy-2-(3-(4-hydroxy-3-methoxyphenyl)- 2-(hydroxymethyl)-1,4-benzodioxan-6-yl)-4-chromanone|3,5,7-Trihydroxy-2-3-(4-hydroxy-3-methoxy-phenyl)-2-hydroxymethyl-2,3-dihydro-benzo1,4dioxin-6-yl-chroman-4-one|3,5,7-trihydroxy-2-3-(4-hydroxy-3-methoxyphenyl)-2-hydroxymethyl-(2R,3R)-2,3-dihydrobenzob1,4dioxin-6-yl-(2R,3R)-3,4-dihydro-2H-4-chromenone|37574-50-8|4H-1-Benzopyran-4-one,2-(2R,3R)-2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-|50976-99-3|87725-90-4|NCGC00091057-07!(2R,3R)-3,5,7-trihydroxy-2-(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl-2,3-dihydrochromen-4-one| |
| Vitexilactone |
natural product |
Vitex trifolia|Monascus purpureus|Viticis cannabifoliae fructus|Abies nobilis|Eremophila serrulata|Didemnum inarmatum|Persea indica|Scapania nemorea|Delphinium campylocentrum|Piper aequale|Grindelia nana|Vitex rotundifolia|Rodgersia podophylla|Rhododendron ferrugineum|Leptothorax acervorum|Vallaris solanacea|Cordyline indivisa|Smenospongia echina|Leucanthemum maximum|Senecio scandens|Drypetes roxburghii|Nephroma australe|Hakea saligna|Shigella flexneri|Viscum coloratum|Acrocomia sclerocarpa|Pinus picea|Disepalum plagioneurum|Polyphaga sinensis|Osmundaria colensoi|Amsinckia menziesii|Avrainvillea nigricans|Calea megacephala|Primula hirsuta|Coronophora gregaria|Melaleuca uncinata|Salvia nubicola|Corydalis cornuta|Lecanora lividocinerea|Alkanna hirsutissima|Jasminum grandiflorum|Phegopteris bukoensis|Buddleja variabilis|Haloxylon salicornicum|Mentha pulegiformis|Formica fusca|Picris radicata|Halopitys incurvus|Vitex agnus-castus|Dacrydium biforme|Viticis fructus|Streptomyces misawanensis |
|
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia |
3D viewer |
Pubchem |
|
21636178 |
61263-49-8 |
CC1CC(C2C(CCCC2(C1(CCC3=CC(=O)OC3)O)C)(C)C)OC(=O)C |
FBWWXAGANVJTLU-HEXLTJKYSA-N |
378.24000 |
C22H34O5 |
0.8085 |
5 |
1 |
72.83 |
11.0 |
27 |
3 |
Anti-inflammatory constituents from the fruits of Vitex rotundifolia. |
vitexilactone|61263-49-8|UNII-8HP9QLE96R|8HP9QLE96R|(1R,3R,4R,4aS,8aS)-4-hydroxy-3,4a,8,8-tetramethyl-4-(2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl)decahydronaphthalen-1-yl acetate|(1R,3R,4R,4aS,8aS)-4-hydroxy-3,4a,8,8-tetramethyl-4-2-(5-oxo-2,5-dihydrofuran-3-yl)ethyldecahydronaphthalen-1-yl acetate|CHEMBL517619|SCHEMBL4931755|CHEBI:91267|FBWWXAGANVJTLU-HEXLTJKYSA-|DTXSID20210164|MolPort-035-705-907|ZINC31157139|AKOS032948565|4CN-1759|W1461|(1R,3R,4R,4aS,8aS)-4-hydroxy-3,4a,8,8-tetramethyl-4-2-(5-oxo-2H-furan-3-yl)ethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl acetate|InChI=1/C22H34O5/c1-14-11-17(27-15(2)23)19-20(3,4)8-6-9-21(19,5)22(14,25)10-7-16-12-18(24)26-13-16/h12,14,17,19,25H,6-11,13H2,1-5H3/t14-,17-,19+,21+,22-/m1/s1| |
| n.a. |
natural product |
Satureja hortensis|Satureja montana|Pogostemon cablin|Citrus aurantium|Schizonepeta tenuifolia|Citrus maxima|Radix salviae|Schizonepeta tenuisfolia|Citrus reticulata|Acorus calamus|Scutellaria barbata|Citrus unshiu|Agastache rugosa|Thymus quinquecostatus|Curcuma kwangsiensis|Agrimonia pilosa|Thymus vulgaris|Curcuma longa|Akebia quinata|Valeriana jatamansi|Curcuma phaeocaulis|Akebia trifoliata|Vitex negundo|Curcuma wenyujin|Alpinia oxyphylla|Dolomiaea souliei|Curcuma zedoaria|Angelica acutiloba|Zanthoxylum bungeanum|Vincetoxicum glaucescens|Hypericum perforatum|Angelica gigas|Zanthoxylum piperitum|Cynanchum stauntoni|Illicium verum|Angelica sinensis|Zanthoxylum schinifolium|Vincetoxicum stauntonii|Cyperus rotundus|Inula helenium|Aquilaria agallochum|Zingiber officinale|Daucus carota|Laggera pterodonta|Aquilaria sinensis|Ziziphus jujuba|Elsholtzia ciliata|Leonurus japonicus|Arnebia euchroma|Syzygium aromaticum|Lithospermum erythrorhizon|Arnebia guttata|Foeniculum vulgare|Litsea cubeba|Artemisia annua|Glehnia littoralis|Lobelia chinensis|Artemisia apiacea|Artemisia argyi|Houttuynia cordata|Lonicera japonica|Artemisia capillaris|Humulus lupulus|Magnolia obovata|Artemisia montana|Magnolia officinalis|Artemisia princeps|Melia azedarach|Atractylodes chinensis|Melia azedarach var. toosendan|Mentha arvensis|Atractylodes lancea|Mentha canadensis|Atractylodes macrocephala|Mosla chinensis|Saussurea costus|Murraya exotica|Bupleurum chinense|Murraya paniculata|Bupleurum falcatum|Perilla frutescens|Bupleurum scorzonerifolium|Pinellia ternata|Senna alexandrina|Piper cubeba|Chrysanthemum indicum|Piper nigrum|Chrysanthemum x morifolium |
Gen=Others|Cytochrome P450 2C19 - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Gen=Others |
3D viewer |
Pubchem |
|
6604672 |
No Cas |
CC1(CC2C1CCC3(C(O3)CCC2=C)C)C |
NVEQFIOZRFFVFW-SFDCQRBFSA-N |
220.18000 |
C15H24O |
1.9144 |
1 |
0 |
12.53 |
3.0 |
16 |
3 |
|
Epoxycaryophyllene|Caryophyllene epoxide|.beta.-Caryophyllene oxide|.beta.-Caryophyllene epoxide|(-)-.beta.-Caryophyllene oxide|(-)-.beta.-Caryophyllene epoxide|CHEMBL1513806|4,11,11-Trimethyl-8-methylene-5-oxatricyclo(8.2.0.0(4,6))dodecane, (1R,4R,6R,10S)-|5-Oxatricyclo(8.2.0.0(4,6))dodecane, 4,12,12-trimethyl-9-methylene-, (1R,4R,6R,10S)-|NVEQFIOZRFFVFW-SFDCQRBFSA-N|(-)-5-Oxatricyclo8.2.0.0(4,6)dodecane,4,12,12-trimethyl-9-methylene-, 1R-(1R*,4R*,6R*,10S*)-|TNP00297|ZINC3947593|NCGC00017355-01| |
| Silybin B |
natural product |
Silybum marianum|Anastatica hierochuntica |
Path=ERBB2 pathway|TP53 pathway|MYC pathway|SLC2A4 pathway|AKT1 pathway|TBC1D4 pathway|CASP3 pathway|LDHA pathway|PSA pathway|N/A|BCL2L1 pathway|MAPK14 pathway|MMP9 pathway|JUN pathway|MAP2K1 pathway|MAPK1 pathway|MAPK3 pathway|MAPK8 pathway|RAF1 pathway|CYCS pathway|EGFR pathway|IGF1R pathway|PTK2 pathway|VEGFA pathway|BID pathway|BIRC5 pathway|CASP8 pathway|CASP9 pathway|CFLAR pathway|TNFRSF10C pathway|DDIT3 pathway|TNFRSF10B pathway|FOS pathway|JUND pathway|MAPK9 pathway|MMP2 pathway|NFKB1 pathway|NFKB2 pathway|PLAU pathway|EIF4G1 pathway|HIF1A pathway|MTOR pathway|RPS6 pathway|RPS6KB2 pathway|STAT3 pathway|SPDEF pathway|CCND1 pathway|MCL1 pathway|EIF2A pathway|PARP1 pathway|Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | DNA polymerase iota - Homo sapiens | DNA polymerase eta - Homo sapiens | Large T antigen - Simian virus 40 | Geminin - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus |Org= Plasmodium falciparum|Tyrosinase - Agaricus bisporus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens |Org= Hepatitis C virus |
Dis=Breast Cancer|Breast Adenocarcinoma|Ductal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Central Nervous System Cancers|Glioblastoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
1548994 |
142797-34-0 |
COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O |
SEBFKMXJBCUCAI-WAABAYLZSA-N |
482.12000 |
C25H22O10 |
-3.3761 |
3 |
5 |
155.14 |
10.0 |
35 |
5 |
[Silymarin in pregnancy and during hormonal contraceptive treatment. Blood chemistry and ultrastructural findings in the experimental model].|[Silymarin for the treatment of acute viral hepatitis? Report of a controlled trial (author's transl)].|[Silymarin--an inhibitor of horseradish peroxidase (author's transl)].|Influence of silymarin on drug metabolizing enzymes in rat and man.|[A novel model of experimental toxic hepatitis/acute degenerative hepatitis induced by frog virus 3 (FV3) in the mouse (author's transl)].|[Controlled study of the effect of silymarin on alcoholic liver disease]. |
Silybin B|SILYMARIN|Milk thistle|142797-34-0|UNII-853OHH1429|Flavobion|Legalon|65666-07-1|Legalon 70|853OHH1429|CCRIS 7096|Wild Artichoke|Silybum marianum|Silybin A and B|Milk thistle NF|Silymarin + Melatonin|AC1LU7MH|UNII-U946SH95EE|Milk Thistle (Silybum marianum) Extract or Powder|SCHEMBL751461|Silybin B, analytical standard|CHEMBL592675|U946SH95EE|DTXSID30858697|Milk Thistle (Silybum marianum) Extract or Powder seed|MolPort-039-139-345|SEBFKMXJBCUCAI-WAABAYLZSA-N|ZINC1530850|2717AH|BDBM50088491|AKOS015912848|LS41186|I14-4850|J-505458|UNII-4RKY41TBTF component SEBFKMXJBCUCAI-WAABAYLZSA-N|(2r,3r)-2-(2s,3s)-2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl-2,3-dihydro-3,5,7-trihydroxy-4h-1-benzopyran-4-one|(2R,3R)-3,5,7-trihydroxy-2-((2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydrobenzob1,4dioxin-6-yl)chroman-4-one|(2R,3R)-3,5,7-trihydroxy-2-(2S,3S)-3-(4-hydroxy-3-methoxy-phenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-ylchroman-4-one|(2R,3R)-3,5,7-trihydroxy-2-(2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl-2,3-dihydro-4H-chromen-4-one|(2R,3R)-3,5,7-trihydroxy-2-(2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl-2,3-dihydrochromen-4-one|(2R,3R)-3,5,7-Trihydroxy-2-(2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2-hydroxymethyl-2,3-dihydrobenzo1,4dioxin-6-yl-4-chromanone|(2S,3S)-2,3-Dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-6-(2R,3R)-3,5,7-trihydroxy-4-oxobenzopyran-2-ylbenzodioxin|2-(2,3-Dihydro-2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)-2,3-dihydro-3,5,7-trihydroxy-4h-1-benzopyran-4- one| |
| Pseudolaric Acid A |
natural product |
Pseudolarix kaempferi|pseudolarix kaempfri|Sclerocarya birrea|Gastrodia elata|Pedalium murex|Chrysanthemum ornatum|Bipolaris oryzae|Plumeria acutifolia|Aloe perryi|Dacrydium comosum|Delia paludosa|Turnera angustifolia|Pseudolaricis cortex|Pelophylax nigromaculatus|Hibiscus vitifolius |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
6436278 |
82508-32-5 |
CC1=CCC23CCC(C2(CC1)OC(=O)C)C(OC3=O)(C)C=CC=C(C)C(=O)O |
GOHMRMDXUXWCDQ-MPVZDDSSSA-N |
388.19000 |
C22H28O6 |
2.0351 |
6 |
1 |
89.90 |
10.0 |
28 |
3 |
The cytotoxic principles of Pseudolarix kaempferi: pseudolaric acid-A and -B and related derivatives.|A tandem metal carbene cyclization-cycloaddition approach to the pseudolaric acids.|Structural modification of an angiogenesis inhibitor discovered from traditional Chinese medicine and a structure-activity relationship study.|Evaluation of the interaction of bioactive compounds in Cortex Pseudolarix and Radix Stephaniae by the microdialysis probe coupled with high performance liquid chromatography-mass spectrometry. |
Pseudolaric acid A|82508-32-5|NSC 615487|2,4-Pentadienoic acid, 5-(4a-(acetyloxy)-3,4,4a,5,6,9-hexahydro-3,7-dimethyl-1-oxo-1H-4,9a-ethanocyclohepta(c)pyran-3-yl)-2-methyl-, (3alpha(2E,4E),4alpha,4aalpha,9aalpha)-(-)-|Pseudolaric-acid|CHEMBL222473|MolPort-020-005-988|ZINC5767598|AKOS015897139|EBD2201288|2,4-Pentadienoic acid, 5-(4a-(acetyloxyl)-3,4,4a,5,6,9-hexahydro-3,7-dimethyl-1-oxo-1H-4,9a-ethanocyclohepta(c)pyran-3-yl)-2-methyl-, (3-alpha(2E,4E),4-alpha,9a-alpha)-(-)-|LS-101421|N2167|I07-0322|(2E,4E)-5-(3R,4S,4aS,9aR)-4a-(acetyloxy)-3,7-dimethyl-1-oxo-3,4,4a,5,6,9-hexahydro-4,9a-ethanocycloheptacpyran-3(1H)-yl-2-methylpenta-2,4-dienoic acid|2,4-Pentadienoic acid, 5-(4a-(acetyloxyl)-3,4,4a,5,6,9-hexahydro-3,7-dimethyl-1-oxo-1H-4,9a-ethanocyclohepta(c)pyran-3-yl)-2-methyl-, (3-alpha(2E,4E),4-alpha,9a-alpha)-(-)- (9CI)|2,4-Pentadienoic acid, 5-(3R,4S,4aS,9aR)-4a-(acetyloxy)-3,4,4a,5,6,9-hexahydro-3,7-dimethyl-1-oxo-1H-4,9a-ethanocycloheptacpyran-3-yl-2-methyl-, (2E,4E)-| |
| Kushenol K |
natural product |
Sophora flavescens|Monsonia senegalensis|Piper regnellii|Chondrodendron tomentosum|Onopordum acanthium|Clerodendrum bungei|Shigella dysenteriae|Abelia chinensis|Haplophyllum obtusifolium|Dolabella californica|Aplophyllum alberti-regelii|Asimina parviflora|Myxococcus stipitatus|Lythrum salicaria|Atraphaxis spinosa|Rhinella marina|Ephedra sinica|Lemaireocereus longispinus|Vellozia nanuzae|Centaurea maculosa|Faramea salicifolia|Embelia parviflora|Siphonaria capensis|Conus mus|Dendronephthya griffini|Gymnocalycium schickendantzii|Eria anomala|Hypericum styphelioides|Baccharis neglecta|Lycogala epidendrum|Plathymenia reticulata|Morella rubra|Diospyros assimilis|Vernonia fagifolia|Esenbeckia leiocarpa|Epilobium hirsutum|Pancratium sickenbergeri|Erythrina melanacantha|Syzygium polycephaloides|Theonella conica|Latrunculia magnifica|Tricholoma columbetta|Cordia leucocephala|Helichrysum tenuifolium|Planchonia grandis|Embelia schimperi|Pteridium esculentum|Euphorbia nematocypha|Erysimum leptophyllum|Simarouba glauca |
Sodium/glucose cotransporter 1 - Homo sapiens | Sodium/glucose cotransporter 2 - Homo sapiens |Org= Human herpesvirus 2 | Human herpesvirus 1 |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Org=Human herpesvirus 2 | Human herpesvirus 1 |
3D viewer |
Pubchem |
|
44428630 |
101236-49-1 |
CC(=C)C(CCC(C)(C)O)CC1=C(C=C(C2=C1OC(C(C2=O)O)C3=C(C=C(C=C3)O)O)OC)O |
YWHHRFNOJTVNBI-LBEFLKDASA-N |
472.21000 |
C26H32O8 |
-0.7044 |
3 |
5 |
136.68 |
17.0 |
34 |
3 |
Na+-glucose cotransporter (SGLT) inhibitory flavonoids from the roots of Sophora flavescens. |
|
| (-)-Parthenolide |
autophagy |
Tanacetum parthenium|Tsuga sieboldii|Lactarius blennius|Sinularia erecta|Silene dioica|Mollugo pentaphylla|Paederia foetida|Dolichos kilimandscharicus|Tuta absoluta|Artemisia phaeolepis|Laurencia dendroidea|Naucleopsis mello-barretoi|Laserpitium siler|Ambrosia psilostachya| |
Path=MLL pathway|MAPK14 pathway|Gen=HDAC,NF-?B,Mdm2,p53|Aldehyde dehydrogenase 1A1 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Parathyroid hormone receptor - Homo sapiens | Vitamin D receptor - Homo sapiens | Ferritin light chain - Equus caballus | Regulator of G-protein signaling 4 - Homo sapiens | Geminin - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens|Acetylcholinesterase - Electrophorus electricus | Nuclear factor NF-kappa-B p65 subunit - Homo sapiens | Nitric oxide synthase, inducible - Mus musculus | Serotonin 2a (5-HT2a) receptor - Rattus norvegicus | Caspase-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Cholinesterase - Equus caballus | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Transcriptional activator Myb - Gallus gallus | NACHT, LRR and PYD domains-containing protein 3 - Homo sapiens | UDP-N-acetylglucosamine 1-carboxyvinyltransferase - Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) | UDP-N-acetylglucosamine 1-carboxyvinyltransferase - Escherichia coli K-12 | Transcription factor Sp1 - Homo sapiens | Cyclooxygenase-2 - Homo sapiens |Org= Plasmodium falciparum | Orobanche cernua var. cumana|TAR DNA-binding protein 43 - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Ataxin-2 - Homo sapiens | Parathyroid hormone receptor - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|pre-B leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Medulloblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Melanoma|malignant melanoma|Skin Cancer|Epithelial cell carcinoma|Small Cell Lung Cancer|Small Cell Lung Carcinoma|Gen=NF-?B |
3D viewer |
Pubchem |
|
7251185 |
20554-84-1 |
CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C |
|
248.32000 |
C15H20O3 |
2.923 |
3 |
0 |
38.80 |
0.0 |
18 |
3 |
(-)-Parthenolide, an inhibitor of the Nuclear Factor-?B Pathway, specifically depletes HDAC1 protein without affecting other class I/II HDACs Also promotes the ubiquitination of MDM2 and activates p53 cellular functions. |
N/A |
| Vibsanin U |
natural product |
Viburnum awabuki |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
11282367 |
No Cas |
CC(=CC(=O)OC1C=CC(CC=C(C(=O)C=CC1(C)O)CO)(C)CCC(C(C)(C)O)O)C |
GFAQUYIQNBAVAL-WQPDWFRBSA-N |
450.26000 |
C25H38O7 |
1.3818 |
7 |
4 |
124.29 |
18.0 |
32 |
1 |
|
|
| Grifolin |
natural product |
Abatrellus confluens|Albatrellus confluens|Aonidiella aurantii|Salacia lehmbachii|Aldisa sanguinea|Melolontha melolontha|Sideritis brevibracteata|Polyporus dispansus|Alpinia blepharocalyx|Rhododendron dauricum|Ocimum tenuiflorum|Millettia laurentii|Anguilla japonica|Juniperus excelsa|Gymnopus confluens|Alcyonium utinomii|Salvia yosgadensis|Penicillium janczewskii|Lilium lancifolium|Kokoona reflexa|Pluchea odorata|Parsonsia spiralis|Macrolepiota neomastoidea|Peperomia galioides|Balanops australiana|Eleutherobia albiflora|Monodora tenuifolia|Elsholtzia oldhami|Pseudoplexaura flagellosa|Pinus strobus|Aspergillus carneus|Ainsliaea fragrans|Euphorbia prostrata|Pinus sylvestris|Nototodarus sloanii|Eucalyptus jenseni|Eurotia ceratoides|Viguiera decurrens|Euphorbia cornigera|Menegazzia terebrata|Sideroxylon cubense|Aspergillus striatus|Cortinarius odoratus|Euonymus alatus|Alcea rosea|Adenia hastata|Aplysina archeri|Streptomyces flavogriseus|Euonymus tingens|Maesa ramentacea|Araiostegiella perdurans|Hylocomium splendens |
Path=CD47 pathway|PARP1 pathway|CASP3 pathway|CASP9 pathway|TP53 pathway|DAPK1 pathway|BCL2 pathway|N/A|MAP2K1 pathway|MAP2K5 pathway|MAP3K3 pathway|BAX pathway|CASP8 pathway|CDKN2D pathway|IGFBP2 pathway|IGFBP6 pathway|NME2 pathway|PLXNB2 pathway|TRAF3 pathway|Org=Trypanosoma cruzi |
Dis=Bone Cancer|Osteosarcoma|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|Nasopharyngeal carcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|marmoset B lymphoblastoid cell|Org=Trypanosoma cruzi |
3D viewer |
Pubchem |
|
5372312 |
6903-07-7 |
CC1=CC(=C(C(=C1)O)CC=C(C)CCC=C(C)CCC=C(C)C)O |
PZHNKNRPGLTZPO-VZRGJMDUSA-N |
328.24000 |
C22H32O2 |
4.0632 |
0 |
2 |
40.46 |
15.0 |
24 |
1 |
Grifolin derivatives from Albatrellus caeruleoporus, new inhibitors of nitric oxide production in RAW 264.7 cells.|Grifolin, a potential antitumor natural product from the mushroom Albatrellus confluens, induces cell-cycle arrest in G1 phase via the ERK1/2 pathway.|Novel selective ligands for free fatty acid receptors GPR120 and GPR40.|Grifolin, a potent antitumour natural product upregulates death-associated protein kinase 1 DAPK1 via p53 in nasopharyngeal carcinoma cells.|DAPK1 mediates the G1 phase arrest in human nasopharyngeal carcinoma cells induced by grifolin, a potential antitumor natural product.|A review on antifungal activity of mushroom (basidiomycetes) extracts and isolated compounds. |
Grifolin|6903-07-7|5-methyl-2-(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienylbenzene-1,3-diol|AC1NSY2R|2-Farnesyl-5-methylresorcinol|CHEMBL487804|PZHNKNRPGLTZPO-VZRGJMDUSA-N|1,3-Benzenediol, 5-methyl-2-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, (E,E)-|E,E,5-Methyl-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1,3-benzenediol|1,3-Benzenediol, 5-methyl-2-(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl-|5-Methyl-2-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1,3-benzenediol, 9CI|5-Methyl-2-(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl-1,3-benzenediol #|5-methyl-2-(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ylbenzene-1,3-diol|Resorcinol, 5-methyl-2-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, (E,E)-| |
| Kamebacetal A |
natural product |
Isodon rubescens|Isodon eriocalyx|Isodon kameba|Isodon umbrosa var. latifolia |
|
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma |
3D viewer |
Pubchem |
|
53322744 |
No Cas |
CC1(CCC(C23C1CC(C45C2CCC(C4O)C(=C)C5=O)OC3OC)O)C |
HZXIWBLGRBHNQF-WWXNXQHNSA-N |
362.21000 |
C21H30O5 |
-0.7495 |
5 |
2 |
75.99 |
6.0 |
26 |
3 |
|
|
| (3R)-3,5-Bis(6-Bromo-1H-Indol-3-Yl)-2,3-Dihydro-1H-Pyrazin-6-One |
natural product |
Spongosorites spp |
Sortase - Staphylococcus aureus |Org= Staphylococcus aureus |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Org=Staphylococcus aureus |
3D viewer |
Pubchem |
|
44404476 |
No Cas |
C1C(N=C(C(=O)N1)C2=CNC3=C2C=CC(=C3)Br)C4=CNC5=C4C=CC(=C5)Br |
MYXLDFYXMNSXDR-SFHVURJKSA-N |
483.95000 |
C20H14Br2N4O |
0.0455 |
5 |
3 |
73.04 |
4.0 |
27 |
5 |
|
|
| Sinularolide B |
natural product |
Lobophytum crassum|Sinularia gibberosa |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
11382470 |
No Cas |
CC1=CCCC2(C(O2)CC3C(C(C(=CCC1)C)O)OC(=O)C3=C)CO |
MULWDJOXRRXULO-SVZQVSRYSA-N |
348.19000 |
C20H28O5 |
1.5287 |
5 |
2 |
79.29 |
5.0 |
25 |
3 |
|
|
| Cyclosporin A |
anticancer |
Mycale hentscheli |
Gen=Immunology & Inflammation related|immunosuppressant |
Dis=Acute Myeloid Leukemia|Acute Myeloid Leukemia|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
1MIK |
5284373 |
59865-13-3 |
CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C |
PMATZTZNYRCHOR-IMVLJIQESA-N |
1202.61000 |
C62H111N11O12 |
4.333 |
11 |
5 |
279.00 |
15.0 |
85 |
|
Cyclosporin A is an immunosuppressive agent, binds to the cyclophilin and then inhibits calcineurin with IC50 of 7 nM in a cell-free assay, widely used in organ transplantation to prevent rejection. |
Cyclosporine A |
| (-)-Epicatechin gallate |
autophagy |
Diospyros kaki|Prunus persica|Rheum officinale|Rheum palmatum|Rheum tanguticum|Camellia sinensis|Crataegus pinnatifida|Cynomorium songaricum|Nelumbo nucifera|Balanophora involucrata|Drechslera avenae|Peltostigma guatemalense|Cerinthe minor| |
Path=ODC1 pathway|Apoptosis regulator Bcl-2 - Homo sapiens |Org= Plasmodium falciparum (isolate FcB1 / Columbia)|3-oxoacyl-acyl-carrier protein reductase - Plasmodium falciparum | 6-phosphogluconate dehydrogenase - Homo sapiens | Glucose-6-phosphate 1-dehydrogenase - Saccharomyces cerevisiae S288c | Fatty acid synthase - Plasmodium falciparum | Enoyl-acyl-carrier protein reductase - Plasmodium falciparum | Beta-secretase 1 - Homo sapiens |Org= Plasmodium falciparum|Dihydrofolate reductase - Homo sapiens | 3-oxoacyl-acyl-carrier protein reductase - Plasmodium falciparum | Enoyl-[acyl-carrier-protein] reductase - Escherichia coli K-12 | MAP kinase p38 alpha - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Apoptosis regulator Bcl-2 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Death-associated protein kinase 1 - Homo sapiens | Fatty acid synthase - Gallus gallus | Human immunodeficiency virus type 1 reverse transcriptase - Human immunodeficiency virus 1 | Serum albumin - Homo sapiens |Org= Staphylococcus aureus | Plasmodium falciparum | Neofusicoccum luteum | Diplodia seriata | Human immunodeficiency virus 1 |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Gen=Others |
3D viewer |
Pubchem |
6DHL |
107905 |
1257-08-5 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
|
442.37000 |
C22H18O10 |
3.339 |
3 |
7 |
177.00 |
4.0 |
32 |
4 |
Epigallocatechin gallate (EGCG), also known as epigallocatechin-3-gallate, is the ester of epigallocatechin and gallic acid, and is a type of catechin with anti-inflammatory effects. |
(?)-ECG, (?)-Epicatechin 3-gallate, (?)-Epicatechin-3-O-gallate |
| Dankastatin B |
natural product |
Gymnascella dankaliensis |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
24854522 |
No Cas |
CCCCCCC(C)C=C(C)C=CC(=O)NC1CC2(C=C(C(=O)C(C2OC1)Cl)Cl)O |
FOYHOCBUHQKEDQ-HUWMOLIRSA-N |
457.18000 |
C23H33Cl2NO4 |
0.7969 |
5 |
2 |
79.12 |
16.0 |
30 |
2 |
|
|
| 5-[(3S,6S)-3-(1,3-Benzodioxol-5-Yl)-1,3,3A,4,6,6A-Hexahydrofuro[3,4-C]Furan-6-Yl]-1,3-Benzodioxole |
natural product |
Zanthoxylum americanum|Sesamum indicum|Asiasarum heterotropoides|Eleutherococcus sessiliflorus|Artemisia apiacea|Eleutherococcus senticosus|Machilus thunbergii|Asarum heterotropoides var. mandshuricum|Magnolia praecocissima|Semen sesami|Eleutherococcus gracilistylus|Hyptis tomentosa|Magnolia mutabilis|Zanthoxylum acanthopodium|Artemisia absinthium|Caulerpa sertularioides|Bridelia retusa|Ruta montana|Paulownia tomentosa|Piper longum|Fagara sp|Acanthopanax gracilistylus|Fagara sp.|Acanthopanax sessiliflorus|Acanthopanax senticosus|Zanthoxylum piperitum|Hypoestes purpurea|Asarum sieboldii var. seoulensis|Fagara xanthoxyloides|Asarum sieboldii|Zanthoxylum nitidum|Tanacetum cinerariifolium |
Path=AKT1 pathway|HIF1A pathway|IL6 pathway|IL8 pathway|MAPK14 pathway|MMP9 pathway|NFKB1 pathway|TNF pathway|VEGFA pathway|TFF1 pathway|BCL2 pathway|BIRC5 pathway|CCND1 pathway|ICAM1 pathway|NFKB2 pathway|NFKBIA pathway|RELA pathway|PTGS2 pathway|Gen=Others|Chromobox protein homolog 1 - Homo sapiens | TAR DNA-binding protein 43 - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Glucagon-like peptide 1 receptor - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | DNA polymerase iota - Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Multiple Myeloma|Plasmacytoma|Multiple Myeloma |Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Lung Epithelial Carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|prostate Carcinoma|mouse tumor model|mouse skin and pulmonary tumor|Gen=Others |
3D viewer |
Pubchem |
234D 235D 215D 2DES |
25245913 |
No Cas |
C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6 |
PEYUIKBAABKQKQ-XGMIPLPHSA-N |
354.11000 |
C20H18O6 |
-1.6034 |
2 |
0 |
55.38 |
2.0 |
26 |
6 |
Microsphere-based protease assays and screening application for lethal factor and factor Xa.|High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.|Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
|
| n.a. |
natural product |
Evodia rutaecarpa|Evodia spp|Euodia bodinieri|Euodia officinalis|Euodia ruticarpa|Tetradium ruticarpum|Phellodendron amurense|Phellodendron chinense|Phellodendron chinese |
Path=ABCB1 pathway|AKT1 pathway|BCL2 pathway|BCL2A1 pathway|BCL2L1 pathway|BIRC2 pathway|BIRC3 pathway|BIRC5 pathway|CCND1 pathway|CFLAR pathway|ICAM1 pathway|MMP9 pathway|MYC pathway|PTGS2 pathway|XIAP pathway|BAX pathway|CASP3 pathway|TP53 pathway|CDKN1A pathway|MAPK1 pathway|MAPK3 pathway|SIRT1 pathway|CCNB1 pathway|CDC2 pathway|CDC25C pathway|CASP8 pathway|CASP9 pathway|Acetylcholinesterase - Electrophorus electricus | Mothers against decapentaplegic homolog 3 - Homo sapiens | Cholinesterase - Equus caballus |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Kidney Cancer|Embryonic Kidney Carcinoma|Melanoma|malignant melanoma|Multiple Myeloma|Multiple Myeloma |Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Thyroid Cancer|undifferentiated thyroid cancer (UTC) |
3D viewer |
Pubchem |
|
151289 |
5956-87-6 |
CN1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3 |
TXDUTHBFYKGSAH-UHFFFAOYSA-N |
303.14000 |
C19H17N3O |
-0.5403 |
4 |
1 |
39.34 |
1.0 |
23 |
5 |
The vasorelaxant effect of evodiamine in rat isolated mesenteric arteries: mode of action.|Inhibitory effect of dehydroevodiamine and evodiamine on nitric oxide production in cultured murine macrophages.|Screening of natural compounds for inhibitory activity on colon cancer cell migration.|Inhibitory effects of evodiamine on in vitro invasion and experimental lung metastasis of murine colon cancer cells.|The alkaloid rutaecarpine is a selective inhibitor of cytochrome P450 1A in mouse and human liver microsomes.|[Studies on evodiamine induced HeLa cell apoptosis]. |
Isoevodiamine|(+/-)-Evodiamine|CHEMBL81925|518-18-3|5956-87-6|d-Evodiamine|C19H17N3O|Evodiamine, (+)-|PubChem18244|AC1L9C8E|evodiamine, (S)-isomer|Evodiamine;|(??)-Evodiamine|Evodiamine (Isoevodiamine)|SureCN682158|Oprea1_236793|SCHEMBL139349|AC1L461L|CHEBI:95196|MolPort-003-983-878|Indol(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13,13b,14-tetrahydro-14-methyl-, (13bS)-|Indol(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13,13b,14-tetrahydro-14-methyl-, (S)-|BDBM50016250|NSC258314|s2382|AKOS015894237|API0002668|BCP9000671|CCG-208627|MCULE-3374039628|NSC-258314|Indolo(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13,13b,14-tetrahydro-14-methyl-|( inverted exclamation markA)-Evodiamine|NCGC00163553-01|NCGC00163553-02|NCGC00163553-03|AC-24421|AN-45498|AS-15078|BC216230|N923|LS-175304|E1012|SR-05000002159|I05-0067|SR-05000002159-2|BRD-A68631409-001-01-3|8,13,13b,14-tetrahydro-14-methylindolo2',3':3,4pyrido2,1-bquinazolin-5(7h)-one|8,13,13b,14-Tetrahydro-14-methylindolo2'3'-3,4pyrido2,1-bquinazolin-5-7H-one|21-methyl-3,13,21-triazapentacyclo11.8.0.0^{2,10}.0^{4,9}.0^{15,20}henicosa-2(10),4,6,8,15(20),16,18-heptaen-14-one|21-methyl-3,13,21-triazapentacyclo11.8.0.02,10.04,9.015,20 henicosa-2(10),4,6,8,15,17,19-heptaen-14-one|Indolo2',3':3,4pyrido2,1-bquinazolin-5(7H)-one,8,13,13b,14-tetrahydro-14-methyl-, (13bS)-| |
| 10-Acetylirciformonin B |
natural product |
Ircinia spp |
|
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma |
3D viewer |
Pubchem |
|
54669795 |
No Cas |
CC(=CC(CC(=CCCC1=COC=C1)C)OC(=O)C)CCC(C2(CCC(=O)O2)C)O |
RGTRQKDHOCMNQZ-PRBWFTGVSA-N |
418.24000 |
C24H34O6 |
1.5407 |
5 |
1 |
85.97 |
17.0 |
30 |
2 |
|
|
| Eudesmine |
natural product |
Hernandia nymphaeifolia|Hernandia peltata|Acorus tatarinowii|Pandanus boninensis|Acori tataninowii rhizoma|Acorus calamus|Acorus gramineus|Knoxia valerianoides|Magnolia biondii|Magnolia denudata|Magnolia kobus|Magnolia salicifolia|Magnolia sprengeri |
Cholinesterase - Equus caballus | Acetylcholinesterase - Electrophorus electricus |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|large cell carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|prostate Carcinoma |
3D viewer |
Pubchem |
|
325601 |
526-06-7 |
COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)OC)OC)OC |
PEUUVVGQIVMSAW-DJDZNOHASA-N |
386.17000 |
C22H26O6 |
-1.2052 |
2 |
0 |
55.38 |
10.0 |
28 |
4 |
In vitro inhibitory effects of Daphne oleoides ssp. oleoides on inflammatory cytokines and activity-guided isolation of active constituents.|Isolation and identification of antifungal and antialgal alkaloids from Haplophyllum sieversii.|Effects of (+)-eudesmin from the stem bark of magnolia kobus DC. var. borealis Sarg. on neurite outgrowth in PC12 cells.|Reversal of P-glycoprotein-mediated drug efflux by eudesmin from Haplophyllum perforatum and cytotoxicity pattern versus diphyllin, podophyllotoxin and etoposide.|Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.|Anti-proliferative activity of hydnocarpin, a natural lignan, is associated with the suppression of Wnt/-catenin signaling pathway in colon cancer cells. |
Eudesmin|526-06-7|Eudesmine|(-)-Eudesmin|AC1L6WLK|SCHEMBL167340|CHEMBL523743|1H,3H-Furo3,4-cfuran,1,4-bis(3,4-dimethoxyphenyl)tetrahydro-, (1R,3aS,4R,6aS)-|ZINC5493040|Eudesmine, >=95% (LC/MS-ELSD)|(3R,3aS,6R,6aS)-3,6-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro3,4-cfuran| |
| Myricanone |
natural product |
Myrica rubra|Chuanxiong rhizoma|Morella rubra |
|
Dis=Acute Myeloid Leukemia|Basophilic Leukemia |
3D viewer |
Pubchem |
|
161748 |
32492-74-3 |
COC1=C(C(=C2CCCCC(=O)CCC3=CC(=C(C=C3)O)C1=C2)O)OC |
ZTSNTUQTNQSIDC-UHFFFAOYSA-N |
356.16000 |
C21H24O5 |
-1.6696 |
1 |
2 |
75.99 |
6.0 |
26 |
3 |
Antitumor-promoting effects of cyclic diarylheptanoids on Epstein-Barr virus activation and two-stage mouse skin carcinogenesis.|Inhibitors of nitric oxide production from the bark of Myrica rubra: structures of new biphenyl type diarylheptanoid glycosides and taraxerane type triterpene. |
Myricanone|32492-74-3|Tricyclo(12.3.1.12,6)nonadeca-1(18),2,4,6(19),14,16-hexaen-9-one, 3,15-dihydroxy-16,17-dimethoxy-|Tricyclo12.3.1.12,6nonadeca-1(18),2,4,6(19),14,16-hexaen-9-one,3,15-dihydroxy-16,17-dimethoxy-|AC1Q6KSB|AC1L4Q0B|SCHEMBL432252|CHEMBL2152655|CTK4G8785|DTXSID60186218|CHEBI:141540|MolPort-039-052-629|ZTSNTUQTNQSIDC-UHFFFAOYSA-N|ZINC5998679|AKOS032948800|3,15-dihydroxy-16,17-dimethoxytricyclo12.3.1.12,6nonadeca-1(18),2(19),3,5,14,16-hexaen-9-one|4CN-2367|LS-157119|3,15-dihydroxy-16,17-dimethoxytricyclo12.3.1.1;{2,6}nonadeca-1(18),2(19),3,5,14,16-hexaen-9-one| |
| Tiliroside |
natural product |
Fragaria ananassa|Potentilla argentea|Potentilla multifida|Ophryosporus floribundus|Coutarea latifolia|Daphne genkwa|Fagara zanthoxyloides|Folium pini|Trichilia hirta|Morus rubra|Payena lucida|Licaria armeniaca|Phalaris canariensis|Plumbagella micrantha|Duguetia calycina|Attalea excelsa|Burkholderia pyrrocinia|Ilex hainanensis|Pteridium aquilinum|Catalpa ovata|Plectocephalus chilensis|Dipsacus asper|Dasystenella acanthina|Quercus suber|Ephedra aphylla|Eriostemon spicatus|Garcinia pyrifera|Jacaranda chelonia|Streptomyces blastmyceticus|Neonectria candida|Stenomesson miniatum|Monanchora pulchra|Samadera indica|Cycas armstrongii|Melicope sarcococca|Citrus hassaku|Typha domingensis|Xylopia brasiliensis|Sideritis nutans|Allium neapolitanum|Canarium album|Gloiopeltis furcata|Crepidiastrum sonchifolium|Rubi fructus|Plinia cauliflora|Leonuri herba|Anthopleura xanthogrammica|Rosae laevigatae fructus|Munronia delavayi|Greenwayodendron oliveri|Clematis angustifolia|Potentillae chinensis herba|Mammillaria magnimamma|Suillus bovinus|Flos genkwa|Uncaria guianensis|Cycas revoluta|Mori cortex|Rivina humilis|Artemisia lactiflora|Abutilon theophrasti|Marrubium cylleneum|Pteris australis|Agrimonia pilosa|Marrubium velutinum|Byssothecium obiones|Stenochlaena palustris|Pterospermum acerifolium|Hymenothrix wislizenii|Eutreptia viridis|Picea neoveitchii|Tanacetum parthenifolium|Rosa rugosa|Nephelium lappaceum|Rubus chingii|Leonurus japonicus|Streptomyces yokosukanensis|Rubus coreanus|Officinal magnolia|Epirrhoe sperryi |
Path=PLCG1 pathway|SYK pathway|IGF1 pathway|IGF1R pathway|MAPK1 pathway|MAPK3 pathway|HIF1A pathway|Carbonic anhydrase I - Homo sapiens | Xanthine dehydrogenase - Homo sapiens | Carbonic anhydrase XII - Homo sapiens | Tyrosinase - Agaricus bisporus | Reverse transcriptase - Human immunodeficiency virus 1 | Carbonic anhydrase VII - Homo sapiens | Glyceraldehyde-3-phosphate dehydrogenase, glycosomal - Trypanosoma cruzi | Carbonic anhydrase IV - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens |Org= Magnaporthe grisea | Entamoeba histolytica | Athelia rolfsii | Bacillus cereus | Ceratocystis paradoxa | Trypanosoma cruzi | Alternaria mali | Leishmania amazonensis |
Dis=Acute Myeloid Leukemia|Basophilic Leukemia|Uterine Neoplasms|Endometrial Cancer|Org=Magnaporthe grisea | Entamoeba histolytica | Athelia rolfsii | Bacillus cereus | Ceratocystis paradoxa | Trypanosoma cruzi | Alternaria mali | Leishmania amazonensis |
3D viewer |
Pubchem |
|
5320686 |
20316-62-5 |
C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O |
DVGGLGXQSFURLP-VWMSDXGPSA-N |
594.14000 |
C30H26O13 |
-4.1618 |
8 |
7 |
212.67 |
15.0 |
43 |
5 |
Evaluation of natural products as inhibitors of human immunodeficiency virus type 1 (HIV-1) reverse transcriptase.|Structure-activity relationship and classification of flavonoids as inhibitors of xanthine oxidase and superoxide scavengers.|Screening of the inhibitory effect of vegetable constituents on the aryl hydrocarbon receptor-mediated activity induced by 2,3,7,8-tetrachlorodibenzo-p-dioxin.|Tiliroside and gnaphaliin inhibit human low density lipoprotein oxidation.|Identification of tyrosinase inhibitors from Marrubium velutinum and Marrubium cylleneum.|Flavonoids possess neuroprotective effects on cultured pheochromocytoma PC12 cells: a comparison of different flavonoids in activating estrogenic effect and in preventing beta-amyloid-induced cell death. |
Tiliroside|20316-62-5|Tribuloside|Trans-Tiliroside|UNII-15M04TXR9M|15M04TXR9M|CHEMBL266564|CHEBI:80944|22153-44-2|2-Propenoic acid, 3-(4-hydroxyphenyl)-, 6'-ester with 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|AC1NSZRJ|SCHEMBL23597|Tiliroside, analytical standard|MEGxp0_000169|MolPort-001-740-347|BDBM50241244|ZINC17654711|AKOS015896718|MCULE-6075035042|NCGC00163634-01|LS-123660|W1685|kaempferol 3-O-(6"-O-p-coumaroyl)-glucoside|Kaempferol-3-O-(6''-p-coumaroyl)-glucoside|C17140|316T625|A814433|I07-0175|Q-100248|kaempferol-3-beta-D-(6-O-trans-p-coumaroyl)glucopyranoside|Kaempferol-3-O-(6-O-trans-p-coumaroyl)-.beta.-glucopyranoside|kaempferol-3-O-beta-D-(6''-(E)-p-coumaroyl)-glucopyranoside|kaempferol 3-O-(6'''' ''''-O-E-p-coumaroyl)-beta-D-glucopyranoside|(E)-((2R,3S,4S,5R,6S)-6-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yloxy)-3,4,5-trihydroxy-tetrahydro-2H-pyran-2-yl)methyl 3-(4-hydroxyphenyl)acrylate|(E)-((2R,3S,4S,5R,6S)-6-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yloxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl 3-(4-hydroxyphenyl)acrylate|(E)-3-(4-hydroxyphenyl)-2-propenoic acid (2R,3S,4S,5R,6S)-6-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-3-yloxy-3,4,5-trihydroxy-2-oxanylmethyl ester|(2R,3S,4S,5R,6S)-6-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yloxy-3,4,5-tris(oxidanyl)oxan-2-ylmethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate|(2R,3S,4S,5R,6S)-6-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-3-yloxy-3,4,5-trihydroxy-tetrahydropyran-2-ylmethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate|(2R,3S,4S,5R,6S)-6-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yloxy-3,4,5-trihydroxyoxan-2-ylmethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate|4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-6-O-(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl-.beta.-D-glucopyranosyloxy-|4H-1-Benzopyran-4-one,5,7-dihydroxy-2-(4-hydroxyphenyl)-3-6-O-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl-b-D-glucopyranosyloxy-|5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4E-1-benzopyran-3-yl 6-O-(2E)-3-(4-hydroxyphenyl)prop-2-enoyl-beta-D-glucopyranoside| |
| (2R,3R)-2-(2,4-Dihydroxy-Phenyl)-3,7-Dihydroxy-8-(5-Hydroxy-2-Isopropenyl-5-Methyl-Hexyl)-5-Methoxy-Chroman-4-One |
natural product |
Sophora flavescens |
Phosphodiesterase 5A - Rattus norvegicus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia |
3D viewer |
Pubchem |
|
10254216 |
No Cas |
CC(=C)C(CCC(C)(C)O)CC1=C(C=C(C2=C1OC(C(C2=O)O)C3=C(C=C(C=C3)O)O)OC)O |
YWHHRFNOJTVNBI-SBCNVUAESA-N |
472.21000 |
C26H32O8 |
-0.7044 |
3 |
5 |
136.68 |
17.0 |
34 |
3 |
|
|
| Vidarabine |
natural product |
Isatis indigotica|Streptomyces herbaceus am-3279|Streptomyces antibioticus |
Gen=DNA/RNA Synthesis|Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Geminin - Homo sapiens | Adenosylhomocysteinase - Mus musculus | Hepatitis C virus NS5B RNA-dependent RNA polymerase - Hepatitis C virus | Dipeptidyl peptidase IV - Homo sapiens | Adenylate cyclase type V - Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens |Org= Human herpesvirus 1 | Human herpesvirus 2 | Moloney murine leukemia virus | Human herpesvirus 3 | Vaccinia virus | Trichomonas vaginalis | Cowpox virus | Human herpesvirus 1 strain KOS | Vaccinia virus Copenhagen | Macacine herpesvirus 1 | African swine fever virus | unidentified influenza virus | Human herpesvirus 5 |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Gen=DNA Damage |
3D viewer |
Pubchem |
1PW7 3GLQ |
21704 |
5536-17-4 |
C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O |
OIRDTQYFTABQOQ-UHTZMRCNSA-N |
267.10000 |
C10H13N5O4 |
-2.2791 |
9 |
4 |
139.54 |
6.0 |
19 |
3 |
Single-strand breaks in DNA during repair of UV-induced damage in normal human and xeroderma pigmentosum cells as determined by alkaline DNA unwinding and hydroxylapatite chromatography: effects of hydroxyurea, 5-fluorodeoxyuridine and 1-beta-D-arabinofuranosylcytosine on the kinetics of repair.|Herpes zoster in the elderly.|Antiviral agents: action and clinical use.|Local antivirals in a herpes simplex stromal keratitis model.|Treatment of experimental herpes simplex keratitis with acycloguanosine.|Adenine arabinoside inhibition of adenovirus replication enhanced by an adenosine deaminase inhibitor. |
Vidarabine|5536-17-4|Adenine arabinoside|Arabinosyladenine|Vira-A|Spongoadenosine|Ara-A|Araadenosine|Vidarabin|9-beta-D-Arabinofuranosyladenine|Arabinosyl adenine|Arabinoside adenine|Arasena-A|Vidarabine anhydrous|Vira ATM|Vidarabina DCIT|(2R,3S,4S,5R)-2-(6-Amino-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol|9-BETA-D-ARABINOFURANOSYL-ADENINE|9beta-D-Arabinofuranosyladenine|9-beta-Arabinoadenosine|beta-D-Arabinosyladenine|Adenine-beta-D-arabinofuranoside|araA|Vidarabinum INN-Latin|UNII-3XQD2MEW34|9-Arabinosyladenine|beta-D-Arabinofuranosyladenine|CCRIS 3383|Adenine beta-D-arabinofuranoside|Vidarabine (Vira-A)|HSDB 6514|9-beta-D-arabinofuranosyl-9H-purin-6-amine|Adenine-9-beta-D-arabinofuranoside|Adenine, 9beta-D-arabinofuranosyl-|Adenine 9-beta;-D-arabinofuranoside|EINECS 226-893-9|9H-Purin-6-amine, 9-beta-D-arabinofuranosyl-|Adenine, 9-beta-D-arabinofuranosyl-|NSC 247519|NSC-404241|2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol|BRN 0624881|3XQD2MEW34|CHEMBL1090|6-Amino-9-beta-D-arabinofuranosylpurine|AI3-52821|9H-Purin-6-amine, 9beta-D-arabinofuranosyl-|CHEBI:45327|(2R,3S,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol|CI-673|6-Amino-9-b-D-arabinofuranosylpurine|Arabinofuranosyladenine|Vidarabinum|AK-54743|Vidarabina|(2R,3S,4S,5R)-2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol|alpha-Ara A|beta-Ara A|RAB|Ara A|alpha-D-Arabinofuranosyladenine|Armes|Vira A|SMR000471872|Vidarabine (JAN)|Vidarabine INN|Armes (TN)|CI 673|9H-Purin-6-amine, 9-.beta.-D-arabinofuranosyl-|9-beta-Arabinofuranosyladenine|9-(beta-D-Arabinofuranosyl)adenine|Vidarabine (anhydrous)|Spectrum_001894|AC1L2IWM|Spectrum2_001336|Spectrum3_000580|Spectrum4_000782|Spectrum5_001429|BSPBio_002000|KBioGR_001224|KBioSS_002424|KSC914S8H|MLS001066352|MLS001333133|MLS001333134|DivK1c_000191|SCHEMBL110914|SPECTRUM1500609|SPBio_001491|GTPL4806|9-ss -D-Arabinofuranosyladenine|CTK8B4983|HMS500J13|KBio1_000191|KBio2_002418|KBio2_004986|KBio2_007554|KBio3_001500|9-beta-D-arabinofuranosyl adenine|MolPort-003-666-308|NINDS_000191|OIRDTQYFTABQOQ-UHTZMRCNSA-N|Adenine 9-ss -D-arabinofuranoside|HMS1921K05|HMS2090F06|HMS2092C16|HMS2230N24|HMS3259I08|HMS3714I18|Pharmakon1600-01500609|ZINC970363|BCP27778|HY-B0277|ANW-46947|BDBM50144936|CCG-39634|HG1001|NSC757383|PDSP1_001036|PDSP2_001020|s1784|AKOS015919711|CS-2267|DB00194|DS-1755|NC00547|NSC-757383|RTR-019519|IDI1_000191|SMP1_000312|9-(beta-D-arabinofuranosyl)-9H-adenine|9--D-arabinofuranosyl-9H-purin-6-amine|9H-adenin-9-yl beta-D-arabinofuranoside|NCGC00023673-08|NCGC00178869-01|AJ-24609|BR-54743|CJ-04655|CPD000471872|LS-15059|SAM002564191|SC-17048|ZB015567|6-amino-9-(beta-D-arabinofuranosyl)purine|SBI-0051555.P002|AB2000291|AX8042581|ST2412176|Adenine 9-beta-D-arabinofuranoside, >=99%|SW199234-2|D06298|S-5624|9-.beta.-D-Arabinofuranosyl-9H-purine-6-amine|AB00430250-08|AB00430250-09|AB00430250_11|AB00430250_12|536V174|SR-01000765435|SR-05000001737|9-beta-D-Arabinofuranosyl-9H-purin-6-amine (9CI)|SR-01000765435-2|SR-05000001737-1|Vidarabine, United States Pharmacopeia (USP) Reference Standard|(2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol| |
| Holamine |
natural product |
Holarrhena curtisii |
Org=Leishmania donovani |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Org=Leishmania donovani |
3D viewer |
Pubchem |
|
12310548 |
No Cas |
CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)N)C)C |
GPRZXDPWGLHIQE-QYYVTAPASA-N |
315.26000 |
C21H33NO |
-0.0286 |
2 |
1 |
43.09 |
5.0 |
23 |
4 |
|
|
| Uncarine E |
natural product |
Uncaria tomentosa|Uncaria macrophylla|Uncaria rhynchophylla|Uncaria sinensis |
Path=BCL2 pathway |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Org=Saccharomyces cerevisiae |
3D viewer |
Pubchem |
|
12304287 |
No Cas |
CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O |
JMIAZDVHNCCPDM-GKELRCLMSA-N |
368.17000 |
C21H24N2O4 |
-0.6854 |
6 |
1 |
71.36 |
5.0 |
27 |
5 |
Pteropodine and isopteropodine positively modulate the function of rat muscarinic M(1) and 5-HT(2) receptors expressed in Xenopus oocyte. |
|
| Dihydrokawain |
natural product |
Piper methysticum |
Path=ABCB1 pathway|NFKB1 pathway|Org=Trichoderma viride | Fusarium oxysporum | Lactuca sativa | Colletotrichum gloeosporioides | Fusarium solani | Echinochloa crus-galli |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Org=Trichoderma viride | Fusarium oxysporum | Lactuca sativa | Colletotrichum gloeosporioides | Fusarium solani | Echinochloa crus-galli |
3D viewer |
Pubchem |
|
10220256 |
587-63-3 |
COC1=CC(=O)OC(C1)CCC2=CC=CC=C2 |
VOOYTQRREPYRIW-LBPRGKRZSA-N |
232.11000 |
C14H16O3 |
-0.249 |
3 |
0 |
35.53 |
5.0 |
17 |
2 |
Kavain, dihydrokavain, and dihydromethysticin non-competitively inhibit the specific binding of [3H]-batrachotoxinin-A 20-alpha-benzoate to receptor site 2 of voltage-gated Na+ channels.|Inhibition of cytochrome P450 3A4 by extracts and kavalactones of Piper methysticum (Kava-Kava).|Extracts and kavalactones of Piper methysticum G. Forst (kava-kava) inhibit P-glycoprotein in vitro.|Herbicidal and Fungicidal Activities of Lactones in Kava (Piper methysticum).|Identification of methysticin as a potent and non-toxic NF-kappaB inhibitor from kava, potentially responsible for kava's chemopreventive activity.|Anti-influenza activity of marchantins, macrocyclic bisbibenzyls contained in liverworts. |
Dihydrokavain|587-63-3|Dihydrokawain|Kavain, dihydro-|Kawain, dihydro-|UNII-NW8ZGW9XRZ|7,8-Dihydro-kawain|NW8ZGW9XRZ|VOOYTQRREPYRIW-LBPRGKRZSA-N|2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(2-phenylethyl)-, (6S)-|Q-100678|2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-phenethyl-|NSC 112163|CCRIS 9371|(+)-Dihydrokavain|2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(2-phenylethyl)-, (S)-|CHEMBL569329|MEGxp0_001719|SCHEMBL5672433|(S)-(+)-7,8-Dihydrokavain|ACon0_000958|ACon1_000519|MolPort-001-742-482|BCP26261|HY-N0920|ZINC1608665|NSC112163|AKOS028109012|ACN-053266|CS-4244|MCULE-3705878121|NSC-112163|NCGC00169002-01|NCGC00169002-05|CJ-25959|SC-83190|X1124|7,8-Dihydrokawain;7,8-Dihydrokavain;Marindinin|(S)-(+)-7,8-Dihydrokavain, analytical standard|587D633|2H-Pyran-2-one,6-dihydro-4-methoxy-6-phenethyl-|BRD-K31961554-001-01-9|(S)-4-methoxy-6-phenethyl-5,6-dihydro-2H-pyran-2-one|(2S)-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one|2H-Pyran-2-one,5,6-dihydro-4-methoxy-6-(2-phenylethyl)-, (6S)-|2H-Pyran-2-one,6-dihydro-4-methoxy-6-(2-phenylethyl)-, (S)-|2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(2-phenylethyl)-, (S)- (9CI)|19451-52-6|19902-90-0|24576-85-0|DIHYDROKAWAIN DIHYDROKAVAIN MARINDININ 7,8-DIHYDROKAWAIN 5,6-dihydro-4-methoxy-6-phenethyl-2h-pyran-2-on|NCGC00169002-05_C14H16O3_(6S)-4-Methoxy-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one| |
| 3-Alpha-O-Acetyl-Alpha-Boswellic Acid |
natural product |
Boswellia carterii|Radermachera boniana|Olibanun |
Path=MMP2 pathway|MMP9 pathway|Org=Mycobacterium tuberculosis H37Rv |
Dis=Acute Myeloid Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Fibrosarcoma|Melanoma|Murine Melanoma|Mouse tumor model|Mouse erythroleukemia|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Org=Mycobacterium tuberculosis H37Rv |
3D viewer |
Pubchem |
|
15181201 |
89913-60-0 |
CC(=O)OC1CCC2(C(C1(C)C(=O)O)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C)C)C)C |
IAWGZKRQDHPFCZ-OBHGTAHRSA-N |
498.37000 |
C32H50O4 |
2.5089 |
4 |
1 |
63.60 |
12.0 |
36 |
5 |
Effect of phospholipid-based formulations of Boswellia serrata extract on the solubility, permeability, and absorption of the individual boswellic acid constituents present. |
89913-60-0|UNII-BIO9XQ683U|Acetyl-alpha-boswellic acid|BIO9XQ683U|CHEBI:68104|(3alpha,4beta)-3-(Acetyloxy)olean-12-en-23-oic acid|3-O-Acetyl-alpha-boswellic acid|alpha-Boswellic acid acetate|3-Acetyl-alpha-boswellic acid|Acetyl-alpha-boswellic acid;|CHEMBL1802044|DTXSID80569721|MolPort-020-005-947|3alpha-acetyl-alpha-boswellic acid;|8014AH|ZINC59586597|ALPHA-BOSWELLIC ACID,3-ACETYL|3-alpha-O-acetyl-alpha-boswellic acid|3|A-(Acetyloxy)olean-12-en-24-oic acid|(3alpha)-3-(Acetyloxy)olean-12-en-24-oic acid|(3|A,4|A)-3-(Acetyloxy)olean-12-en-23-oic acid|3-O-Acetyl-alpha-boswellic acid, analytical standard|Olean-12-en-23-oic acid, 3-(acetyloxy)-, (3alpha,4beta)-| |
| n.a. |
natural product |
Salvia digitaloides|Salvia miltiorrhizae |Salvia castanea|Salvia miltiorrhiza |
Telomerase reverse transcriptase - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Breast Adenocarcinoma|Breast Carcinoma|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Cervical Carcinoma Papilloma |Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|Skin Cancer|Skin Epidermoid Carcinoma |
3D viewer |
Pubchem |
|
10264769 |
No Cas |
CC1=CC=CC2=C1C=CC3=C2OC(=O)C4=C3OC=C4C |
LGZUUBFLEYOEEX-UHFFFAOYSA-N |
264.08000 |
C17H12O3 |
1.0388 |
1 |
0 |
39.44 |
2.0 |
20 |
4 |
Antitumor agents 278. 4-Amino-2H-benzo[h]chromen-2-one (ABO) analogs as potent in vitro anti-cancer agents.|ortho-Quinone tanshinones directly inhibit telomerase through an oxidative mechanism mediated by hydrogen peroxide. |
Neo-tanshinlactone|Neotanshinlactone|Neo-Tashinlactone|neo-tanschinlactone|CHEMBL364132|SCHEMBL12115014|LGZUUBFLEYOEEX-UHFFFAOYSA-N|NSC734927|ZINC14613265|NSC-734927|2-(1-Hydroxy-5-methyl-2-naphthyl)-4-methylfuran-3-carboxylic acid lactone| |
| Dichlorolissoclimide |
natural product |
Pleurobranchus forskalii|Pleurobranchus albiguttatus|pleurobranchus forskalii |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Cervical Cancer|Cervical Carcinoma Papilloma |Non-small Cell Lung Cancer |
3D viewer |
Pubchem |
|
10549927 |
138935-82-7 |
CC1(C2CC(C(=C)C(C2(CC(C1Cl)Cl)C)CC(C3CC(=O)NC3=O)O)O)C |
RXKVVHDLUDIYSP-VVHTYQJQSA-N |
417.15000 |
C20H29Cl2NO4 |
1.4153 |
5 |
3 |
90.12 |
11.0 |
27 |
3 |
Chemotherapeutic inhibition of erb-B2 oncogene expression on a non-small-cell cancer line (NSCLC-N6) by marine substances. |
|
| Casticin |
natural product |
Vitex rotundifolia|Vitex negundo|Vitex trifolia|Chrysosplenium tosaense|Albizia amara|Heliotropium eichwaldii|Pseudokeronopsis rubra|Veronicastrum virginicum|Solanum aculeatum|Stevia sanguinea|Hypericum carinatum|Eucalyptus cordata|Abies nobilis|Laetia corymbulosa|Semen artemisiae|Grindelia nana|Jasminum grandiflorum|Streptomyces incarnatus|Calea megacephala|Yucca aloifolia|Eremophila mitchellii|Phorbas amaranthus|Nephelium mutabile|Kloeckera brevis|Ericameria diffusa|Pinus picea|Hakea saligna|Artemisia annua|Artemisia scoparia|Doryanthes palmeri|Matricaria occidentalis|Lasiosiphon eriocephalus|Gutierrezia microcephala|Buddleja variabilis|Eremophila serrulata|Afrocarpus falcatus|Ibervillea sonorae|Agelas nakamurai|Avrainvillea nigricans|Panax quinquefolius|Senecio tricephalus|Leptothorax acervorum|Turbinellus floccosus|Cystoseira jabukae|Turricula parryi|Melaleuca uncinata|Ligularia lamarum|Artemisia apiacea|Callicarpa pilosissima|Beta vulgaris|Ocotea pulchella|Afrormosia elata|Picris radicata|Haloxylon salicornicum|Digitalis thapsii|Eumorphia sericea|Pseudomonas viridiflava|Asterogyne martiana|Drypetes roxburghii|Salvia nubicola|Euryops rupestris|Chrysosplenium japonicum|Cordyline indivisa|Canella winterana|Shigella flexneri|Bipolaris sorokiniana|Matricaria chamomilla|Fritillaria ussuriensis|Osmundaria colensoi|Calonectria cylindrospora|Primula hirsuta|Salvia digitaloides|Halobacterium salinarum|Dacrydium biforme|Eupatorium birmanicum|Nicotiana debneyi|Acrocomia sclerocarpa|Chrysosplenium echinus|Thalictrum cultratum|Castanopsis eyrei|Halopitys incurvus|Jasonia montana|Senecio scandens|Panax quinquefolium|Hopea parviflora|Chaetomium globosum|Eucalyptus decorticans|Narcissus obesus|Mythimna separata|Infundibulicybe catinus|Scabiosa atropurpurea|Polyphaga sinensis|Berkheya zeyheri|Baccharis magellanica|Kuehneromyces mutabilis|Persea indica|Carlina acaulis|Aconitum nasutum|Xanthium pungens|Senecio bergii|Beilschmiedia volckii|Dovyalis abyssinica|Polygonum mite|Flemingia chappar|Holarrhena febrifuga|Alternaria chrysanthemi|Lippia mexicana|Mentha pulegiformis|Aspergillus unilateralis|Smenospongia echina|Uncaria laevigata|Acacia pycnantha|Phegopteris bukoensis|Cirsium tanakae|Phyllanthus discoideus|Disepalum plagioneurum|Delphinium hybr|Viticis fructus|Gymnodinium microadriaticum|Fusarium sambucinum|Litsea verticillata|Semen euphorbiae|Decachaeta thieleana|Clausena lansium|Rodgersia podophylla|Viscum coloratum|Viticis cannabifoliae fructus|Impatiens siculifer|Monascus purpureus|Streptomyces chattanoogensis|Delphinium campylocentrum|Fagraea fragrans|Poranthera corymbosa|Daphne giraldii|Vallaris solanacea|Aloe vulgaris|Streptomyces misawanensis|Rhododendron ferrugineum|Corydalis cornuta|Coronophora gregaria|Alpinia allughas|Eriostemon thryptomenoides|Aspergillus phoenicis|Sophora exigua|Piper aequale|Rabdosia loxothyrsa|Scapania nemorea|Houttuynia cordata|Alkanna hirsutissima|Crangon vulgaris|Trichomanes reniforme|Didemnum inarmatum|Formica fusca|Sporobolus cynosuroides|Drosera spatulata|Chaetomium subaffine|Lecanora lividocinerea|Nephroma australe|Thermopsis alpina|Amsinckia menziesii|Trichoderma polysporum|Garcinia pseudoguttifera|Leucanthemum maximum |
Path=CDKN1B pathway|CDKN1A pathway|Org=Mycobacterium tuberculosis |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Cervical Cancer|Cervical Carcinoma Papilloma |Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Epithelial cells immortalized with hTERT|Epithelial cells immortalized with hTERT |Human umbilical vein endothelial cell|Non-Melanoma Skin Cancers|Fibroblast|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Prostate Cancer|Prostate Adenocarcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Org=Mycobacterium tuberculosis |
3D viewer |
Pubchem |
|
5315263 |
479-91-4 |
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O |
PJQLSMYMOKWUJG-UHFFFAOYSA-N |
374.10000 |
C19H18O8 |
-1.9715 |
2 |
2 |
103.68 |
11.0 |
27 |
3 |
Vitexicarpin, a flavonoid from the fruits of Vitex rotundifolia, inhibits mouse lymphocyte proliferation and growth of cell lines in vitro.|[Vitexicarpin, a flavonoid from Vitex trifolia L., induces apoptosis in K562 cells via mitochondria-controlled apoptotic pathway].|The Systemic Theory of Living Systems. Part IV: Systemic Medicine--The Praxis.|Antiproliferative and cytostatic effects of the natural product eupatorin on MDA-MB-468 human breast cancer cells due to CYP1-mediated metabolism.|Antiproliferative effect of flavonoids and sesquiterpenoids from Achillea millefolium s.l. on cultured human tumour cell lines.|Casticin induces leukemic cell death through apoptosis and mitotic catastrophe. |
Casticin|Vitexicarpin|479-91-4|UNII-753GT729OU|Quercetagetin 3,6,7,4'-tetramethyl ether|3',5-Dihydroxy-3,4',6,7-tetramethoxyflavone|3,6,7,4'-Tetra-O-methyl-5,3'-dihydroxyflavone|CHEBI:69355|753GT729OU|5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-4H-1-benzopyran-4-one|Q-100515|5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-4H-chromen-4-one|5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one|Casticine|AC1NSSVS|Casticin, analytical standard|SCHEMBL382354|CHEMBL452767|DTXSID80197326|MolPort-005-938-589|PJQLSMYMOKWUJG-UHFFFAOYSA-N|3,6,7,4'-tetramethylquercetagetin|HY-N0516|ZINC6018556|LMPK12113010|AKOS015896773|AC-6085|4H-1-Benzopyran-4-one, 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-|AN-10374|Agnus castus fruit standardised dry extract|CS-0009055|FT-0688327|N1318|V1552|3-,5-Dihydroxy-3,4-,6,7-tetramethoxyflavone|479V914|Casticin, primary pharmaceutical reference standard|I07-0245|Casticin, United States Pharmacopeia (USP) Reference Standard|5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-3,6,7-trimethoxy-chromen-4-one|4H-1-Benzopyran-4-one,5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-|5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-4H-benzopyran-4-one, 9CI|Agnus castus fruit dry extract, European Pharmacopoeia (EP) Reference Standard|Agnus castus fruit standardised dry extract, European Pharmacopoeia (EP) Reference Standard| |
| Cytisine |
bioactive compound |
Sophora flavescens|Calonectria nivalis|Stephania dinklagei|Melilotus messanensis|Piper dilatatum|Scolopia chinensis|Nicotiana raimondii|Chionodoxa gigantea|Solanum tequilense|Chaenorhinum minus|Calonectria kyotensis|Fabaceae|Laburnum anagyroides|Streptomyces filamentosus|Candida albicans|Pleurostylia opposita|Carya pecan|Tephrosia watsoniana|Dendrobium cariniferum|Inulanthera calva|Arum maximum|Amaranthus spinosus|Heliotropium hirsutissimum|Sophora griffithii|Cirsium eriophorum|Lathyrus cicer|Leucospermum reflexum|Crassostrea virginica|Trollius europaeus|Chamomilla recutita|Wisteria sinensis| |
Gen=AChR|Cholinesterase - Equus caballus | Neuronal acetylcholine receptor protein alpha-4 subunit - Rattus norvegicus | Neuronal acetylcholine receptor protein alpha-7 subunit - Rattus norvegicus | Acetylcholine receptor protein delta chain - Torpedo californica | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Nicotinic acetylcholine receptor alpha 5 subunit - Musca domestica | Lysine-specific demethylase 4D-like - Homo sapiens | Neuronal acetylcholine receptor protein alpha-7 subunit - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | Beta-glucocerebrosidase - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Inositol monophosphatase 1 - Rattus norvegicus | Cytochrome P450 3A4 - Homo sapiens | Acetylcholine receptor protein alpha chain - Torpedo californica | Microtubule-associated protein tau - Homo sapiens | Prelamin-A/C - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens |Org= Rattus norvegicus|Chromobox protein homolog 1 - Homo sapiens | Geminin - Homo sapiens | Rap guanine nucleotide exchange factor 4 - Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens |Org= Plasmodium falciparum| |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Esophageal and Esophagogastric Junction Cancers|Esophageal squamous cell carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=Neuronal Signaling |
3D viewer |
Pubchem |
4BQT 5SYO |
10235 |
485-35-8 |
C1C2CNCC1C3=CC=CC(=O)N3C2 |
ANJTVLIZGCUXLD-UHFFFAOYSA-N |
190.24000 |
C11H14N2O |
-0.338 |
1 |
1 |
32.30 |
0.0 |
14 |
3 |
Cytisine is a nicotinic acetylcholine receptor agonist. |
Baphitoxine,Sophorine |
| Acetyl-11-Keto-Beta-Boswellic Acid |
natural product |
Boswellia carterii|Boswellia serrata|Boswellia papyrifera|boswellia spp. |
Path=MAPK1 pathway|MAPK3 pathway|AKT1 pathway|BCL2 pathway|BCL2A1 pathway|BIRC5 pathway|CCND1 pathway|CFLAR pathway|CHUK pathway|FAS pathway|ICAM1 pathway|IKBKB pathway|MAPK14 pathway|MMP9 pathway|MYC pathway|PARP1 pathway|NFKBIA pathway|PTGS2 pathway|VEGFA pathway|XIAP pathway|TNF pathway|CASP8 pathway|CASP9 pathway|CASP3 pathway|JAK2 pathway|STAT3 pathway|PTPN6 pathway|MCL1 pathway|AR pathway|CDKN1A pathway|DDIT3 pathway|SP1 pathway|TNFRSF10B pathway|Arachidonate 5-lipoxygenase - Homo sapiens | Prostaglandin E synthase - Homo sapiens | Vascular endothelial growth factor receptor 2 - Homo sapiens | 11-beta-hydroxysteroid dehydrogenase 2 - Homo sapiens | 11-beta-hydroxysteroid dehydrogenase 1 - Homo sapiens | Prolyl endopeptidase - Homo sapiens |Org= Mus musculus |
Dis=Central Nervous System Cancers|Neruoblastoma|meningioma|Neuroblastoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Kidney Cancer|epithelial carcinoma|Multiple Myeloma|Multiple Myeloma |Prostate Cancer|Prostate Adenocarcinoma|Org=Mus musculus |
3D viewer |
Pubchem |
|
11168203 |
67416-61-9 |
CC1CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(C5(C)C(=O)O)OC(=O)C)C)C)C2C1C)C)C |
HMMGKOVEOFBCAU-BCDBGHSCSA-N |
512.35000 |
C32H48O5 |
1.4162 |
5 |
1 |
80.67 |
12.0 |
37 |
5 |
Acetyl-11-keto-beta-boswellic acid (AKBA): structure requirements for binding and 5-lipoxygenase inhibitory activity.|Characterization of an acetyl-11-keto-beta-boswellic acid and arachidonate-binding regulatory site of 5-lipoxygenase using photoaffinity labeling.|Acetyl-11-keto-beta-boswellic acid induces apoptosis in HL-60 and CCRF-CEM cells and inhibits topoisomerase I.|Acetyl-boswellic acids are novel catalytic inhibitors of human topoisomerases I and IIalpha.|Workup-dependent formation of 5-lipoxygenase inhibitory boswellic acid analogues.|3-Acetoxy group of genuine AKBA (acetyl-11-keto-beta-boswellic acid) is alpha-configurated. |
AKBA|67416-61-9|3-O-Acetyl-11-keto-beta-Boswellic Acid|3-acetyl-11-keto-beta-boswellic acid|AKbetaBA|UNII-BS16QT99Q1|Acetyl-11-keto-beta-boswellic acid|BS16QT99Q1|CHEMBL237111|Acetyl-11-keto--boswellic acid|AKBA cpd|Acetyl-11-keto-b-boswellic acid|acetyl-11-ketoboswellic acid|3-Acetyl-11-keto-|A-Boswellic Acid|3alpha-acetoxy-11-keto-beta-boswellic acid|Curator_000001|HMMGKOVEOFBCAU-BCDBGHSCSA-N|MolPort-020-005-785|(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-acetoxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid|HY-N0892|Acetyl-11-keto-beta-boswellic acid;|BDBM50241262|MFCD03788777|ZINC14089767|AKOS026670207|CS-3736|3-Acetyl-11-keto-beta-boswellic acid;|ST24045899|X1137|BETA-BOSWELLIC ACID,3-ACETYL,11-KETO|3alpha-Acetoxy-11-oxo-12-ursen-24-oic acid|416A619|3-O-Acetyl-11-keto-beta-boswellic acid, analytical standard|3-O-Acetyl-11-keto-|A-boswellic acid; Acetyl-11-keto-|A-boswellic acid|3-Acetyl-11-keto-beta-boswellic acid, United States Pharmacopeia (USP) Reference Standard|187945-03-5| |
| Dehydroisophonochalynol |
natural product |
Callyspongia spp |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Cervical Cancer|Cervical Adenocarcinoma |
3D viewer |
Pubchem |
|
9995097 |
No Cas |
C#CC=CCCCCC#CC#CC#CCCCC=CC#CCO |
VWHUYEBWDMFMLW-WLXZLGQWSA-N |
302.17000 |
C22H22O |
3.3854 |
1 |
1 |
20.23 |
8.0 |
23 |
0 |
|
|
| n.a. |
natural product |
Satureja hortensis|Satureja montana|Aurantii fructus|Mahoniae caulis|Rubi fructus|Ailanthi cortex|Campsis flos|Piperis fructus|Citri sarcodactylis fructus|Mahoniae folum|Polygoni orientalis fructus|Dichroae radix|Echinopsis radix|Ginkgo biloba|Aristolochiae fructus |
Gen=Others|Cytochrome P450 2C19 - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens|Cruzipain - Trypanosoma cruzi |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Gen=Others |
3D viewer |
Pubchem |
|
11908458 |
No Cas |
CC1(CC2C1CCC3(C(O3)CCC2=C)C)C |
NVEQFIOZRFFVFW-ABHRYQDASA-N |
220.18000 |
C15H24O |
1.9144 |
1 |
0 |
12.53 |
3.0 |
16 |
3 |
|
|
| 11-Acetoxy-6,12,14-Trihydroxy-Abieta-5,8,11,13-Tetraen-7-One |
natural product |
Coleus xanthanthus |
|
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia |
3D viewer |
Pubchem |
|
636683 |
No Cas |
CC(C)C1=C(C2=C(C(=C1O)OC(=O)C)C3(CCCC(C3=C(C2=O)O)(C)C)C)O |
DFFRVBOOGZCQDV-JOCHJYFZSA-N |
388.19000 |
C22H28O6 |
0.0396 |
3 |
3 |
104.06 |
12.0 |
28 |
3 |
|
Coleon U 11-acetate|AC1LCSPP|CHEMBL464030|11-acetoxy-6,12,14-trihydroxy-abieta-5,8,11,13-tetraen-7-one|6,12,14-trihydroxy-7-oxoabieta-5,8,11,13-tetraen-11-yl acetate|7-Oxoabieta-5,8,11,13-tetrene-6,11,12,14-tetrol 11-acetate|(4bS)-1,3,9-trihydroxy-4b,8,8-trimethyl-10-oxo-2-propan-2-yl-6,7-dihydro-5H-phenanthren-4-yl acetate|9(1H)-phenanthrenone, 5-(acetyloxy)-2,3,4,4a-tetrahydro-6,8,10-trihydroxy-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS)-|Acetic acid 1,3,9-trihydroxy-2-isopropyl-4b,8,8-trimethyl-10-oxo-4b,5,6,7,8,10-hexahydro-phenanthren-4-yl ester|InChI=1/C22H28O6/c1-10(2)12-15(24)13-14(19(17(12)26)28-11(3)23)22(6)9-7-8-21(4,5)20(22)18(27)16(13)25/h10,24,26-27H,7-9H2,1-6H3/t22-/m1/s |
| Cordycepin |
anticancer |
Cordyceps sinensis|Cordyceps militaris|cordyceps militaris bcc 2816|Ophiocordyceps sinensis |
Path=MMP9 pathway|JUND pathway|NFKB1 pathway|TNF pathway|AKT1 pathway|MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|NFKBIA pathway|Gen=Others|Mitochondrial import inner membrane translocase subunit TIM23 - Saccharomyces cerevisiae S288c | ATP-dependent molecular chaperone HSP82 - Candida albicans (strain WO-1) (Yeast) | Adenosine A1 receptor - Rattus norvegicus | Hepatitis C virus NS5B RNA-dependent RNA polymerase - Hepatitis C virus |Org= Human immunodeficiency virus 1 | Trypanosoma brucei | Trypanosoma brucei brucei | Vaccinia virus | Trypanosoma cruzi | Plasmodium falciparum (isolate K1 / Thailand) | Human herpesvirus 1 | Leishmania donovani | Hepatitis C virus | Trichomonas vaginalis |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Bladder Cancer|Bladder carcinoma|Transitional Cell Carcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Murine BV2 microglia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Melanoma|Murine Melanoma|Gen=Others |
3D viewer |
Pubchem |
5M5K 6F3P 3B4C 3B4B |
6303 |
73-03-0 |
C1C(OC(C1O)N2C=NC3=C2N=CN=C3N)CO |
QLEOCAHPCDUGFN-UHFFFAOYSA-N |
251.24000 |
C10H13N5O3 |
-1.308 |
4 |
3 |
119.00 |
2.0 |
18 |
3 |
Cordycepin is an adenosine analogue, which is readily phosphorylated to its mono-, di-, and triphosphate intracellularly. It has a very potent anti-cancer, anti-oxidant and anti-inflammatory activities. |
N/A |
| Artesunate |
natural product |
Artemisia annua|Artemisia apiacea |
Path=KDR pathway|VEGFA pathway|Gen=STAT|antiparasitic|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus |Org= Plasmodium berghei | Plasmodium falciparum | Plasmodium falciparum (isolate K1 / Thailand) | Plasmodium falciparum NF54 | Plasmodium vinckei petteri | Toxoplasma gondii RH | Plasmodium vivax | Plasmodium falciparum 3D7 | Trypanosoma brucei brucei | Plasmodium malariae | Plasmodium yoelii nigeriensis | Plasmodium yoelii | Fasciola hepatica | Human herpesvirus 5 strain AD169 | Schistosoma mansoni | Echinococcus multilocularis | Schistosoma japonicum |
Dis=Acute Myeloid Leukemia|Acute Myeloid Leukemia|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Ovarian Cancer|Epithelial Ovarian Cancer |Uterine Neoplasms|Choriocarcinoma|Gen=JAK/STAT |
3D viewer |
Pubchem |
|
6917864 |
No Cas |
CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC(=O)CCC(=O)O)C |
FIHJKUPKCHIPAT-AHIGJZGOSA-N |
384.18000 |
C19H28O8 |
0.4477 |
8 |
1 |
100.52 |
9.0 |
27 |
3 |
Decreased sensitivity of artesunate and chloroquine of Plasmodium falciparum infecting hemoglobin H and/or hemoglobin constant spring erythrocytes.|Antimalarial agents, 2. Artesunate, an inhibitor of cytochrome oxidase activity in Plasmodium berghei.|Efficacy and tolerability of a sequential, artesunate suppository plus mefloquine, treatment of severe falciparum malaria.|Serum concentrations of MIP-1 alpha and interleukin-8 in patients suffering from acute Plasmodium falciparum malaria.|Effects of qinghaosu (artemisinin) and its derivatives on experimental cutaneous leishmaniasis.|Artesunate. A review of its pharmacology and therapeutic efficacy in the treatment of malaria. |
Artesunate|Artesunic acid|Artesunato|Artesunatum|Arinate|Arsumax|Dihydroqinghasu hemsuccinate|88495-63-0|UNII-60W3249T9M|CHEBI:63918|60W3249T9M|Arsuamoon|Butanedioic acid, 1-(3R,5aS,6R,8aS,9R,10S,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano4,3-j-1,2-benzodioxepin-10-yl ester|Artesunata|Plasmotrin|Qinghaozhi|Cosinate|Saphnate|Zysunate|Asumax|Gsunate Forte|4-oxo-4-{(3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxypyrano4,3-j1,2benzodioxepin-10-yloxy}butanoic acid|Armax 200|Artesunatum INN-Latin|Artesunato INN-Spanish|Plasmotrim|Artsuna|Nuartez|Artesunate USAN:INN:BAN|HSDB 7458|Dihydroartemisinine-12alpha-succinate|WR 256283|MLS006011590|CHEMBL361497|SCHEMBL14552891|FIHJKUPKCHIPAT-AHIGJZGOSA-N|MolPort-006-392-384|(3R,5aS,6R,8aS,9R,10S,12R,12aR)-Decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10-ol, hydrogen succinate|4-oxo-4-(((3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3H-3,12-epoxy1,2dioxepino4,3-iisochromen-10-yl)oxy)butanoic acid|83507-69-1|ACT02643|HY-N0193|ZINC14096305|CS-8151|DB09274|SMR002499399|WR-256283|BRD-K54634444-001-05-9|112346-66-4|1177476-35-5|1236362-31-4|252637-87-9|4-Oxo-4-(((3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxypyrano(4,3-j)-1,2-benzodioxepin-10-yl hydrogen butanedioate|91487-94-4|Butanedioic Acid Mono(3R,5aS,6R,8aS,9R,10R,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano4,3-j-1,2-benzodioxepin-10-yl Ester|Butanedioic acid, mono((3R,5aS,6R,8aS,9R,10S,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10-yl) ester|D95| |
| n.a. |
natural product |
Artemisia annua|Artemisia apiacea |
Path=MMP2 pathway|CDK2 pathway|CDK4 pathway|RB1 pathway|SP1 pathway|Gen=Anti-infection|Org=Plasmodium falciparum 3D7 | Plasmodium falciparum | Plasmodium berghei | Plasmodium falciparum (isolate K1 / Thailand) | Plasmodium falciparum D6 |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Melanoma|malignant melanoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=Microbiology |
3D viewer |
Pubchem |
|
68827 |
63968-64-9 |
CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)C |
BLUAFEHZUWYNDE-NNWCWBAJSA-N |
282.15000 |
C15H22O5 |
0.8012 |
5 |
0 |
53.99 |
3.0 |
20 |
3 |
Susceptibility of African isolates of Plasmodium falciparum to artemisinin (qinghaosu).|Selenium and sulfur in antioxidant protective systems: relationships with vitamin E and malaria.|In vitro and clinical correlates of mefloquine resistance of Plasmodium falciparum in eastern Thailand.|The potentiating action of tetrandrine in combination with chloroquine or qinghaosu against chloroquine-sensitive and resistant falciparum malaria.|Evidence that the antimalarial activity of artemisinin is not mediated via intercalation with nucleotides.|Effect of artemisinin (qinghaosu) and chloroquine on drug-sensitive and drug-resistant strains of Plasmodium falciparum malaria: use of [2,8-3H]adenosine as an alternative to [G-3H]hypoxanthine in the assessment of in vitro antimalarial activity. |
artemisinin|Qinghaosu|63968-64-9|Arteannuin|Artemisine|(+)-Artemisinin|Artemisinine|Huanghuahaosu|Artemisinina|Artemisininum|Qinghosu|Quing Hau Sau|Qing Hau SU|Artemisinin INN|Qinghaosu Chinese|Artemisinine French|Artemisininum Latin|Artemisinina Spanish|Qing Hau Sau Chinese|UNII-9RMU91N5K2|Artemisia annua L., extract|Artemisnini|Qing Hau Sau|CHEBI:223316|NSC 369397|BRN 4194670|Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10(3H)-one|9RMU91N5K2|C15H22O5|Astemisinin|quinghaosu|(+)-Arteannuin|(3R,5aS,6R,8aS,9R,12S,12aR)-3,6,9-trimethyloctahydro-12H-3,12-epoxy1,2dioxepino4,3-iisochromen-10(3H)-one|(3R,5aS,6R,8aS,9R,12S,12aR)-3,6,9-Trimethyloctahydro-3,12-epoxypyrano(4,3-j)(1,2)benzodioxepin-10(3H)-one|(3R,5aS,6R,8aS,9R,12S,12aR)-3,6,9-trimethyloctahydro-3,12-epoxypyrano4,3-j1,2benzodioxepin-10(3H)-one|(3R,5aS,6R,8aS,9R,12S,12aR)-Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10(3H)-one|(3R,5aS,6R,8aS,9R,12S,12aR)-Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano4,3-j-1,2-benzodioxepin-10(3H)-one|1,5,9-trimethyl-(1R,4S,5R,9R,12S,13R)-11,14,15,16-tetraoxatetracyclo10.3.1.04,13.08,13hexadecan-10-one|3,12-Epoxy-12H-pyranol(4,3-j)-1,2-benzodioxepin-10(3H)-one, octahydro-3,6,9-trimethyl-, (3-alpha,5a-beta,6-beta,8a-beta,9-alpha,12-beta,12aR*)-(+)-|QHS|SMR000578089|SR-01000802560|Artesin|Artemisinin/|Spectrum_001351|AC1L2AIV|ATM;|Prestwick0_000498|Prestwick1_000498|Prestwick2_000498|Prestwick3_000498|Spectrum2_001512|Spectrum3_001549|Spectrum4_000721|Spectrum5_001098|EC 700-290-5|AC1Q6O1J|SCHEMBL60304|BSPBio_000395|BSPBio_002998|KBioGR_000982|KBioSS_001831|MLS001097650|MLS001304036|MLS002153846|DivK1c_000656|SPBio_001583|SPBio_002316|BPBio1_000435|CHEMBL269671|GTPL9954|DTXSID2040652|KBio1_000656|KBio2_001831|KBio2_004399|KBio2_006967|KBio3_002498|AOB5074|BIA4320|BLUAFEHZUWYNDE-NNWCWBAJSA-N|MolPort-006-069-257|NINDS_000656|ZX-AFC001145|HMS2090I17|HMS2096D17|HMS2267N09|HMS3269L13|HMS3713D17|Pharmakon1600-01503042|BCP02096|HY-B0094|ZINC8143788|ABP000602|BDBM50088447|MFCD00081057|NSC758216|AKOS024457231|CCG-220498|CS-1794|DB13132|EBD2138452|LMPR0103190003|NSC-758216|RL04438|IDI1_000656|AK168090|AS-12692|LS-64242|AB0007990|FT-0082854|S1282|J10178|968A649|SR-01000802560-2|SR-01000802560-3|SR-01000802560-4|BRD-K13112821-001-08-3|BRD-K13112821-001-17-4|2AB44F63-5D0F-424A-AA3F-24062F9C1CED|(3R,5aS,6R,8aS,9R,12S,12aR)-3,6,9-trimethyloctahydro-3H-3,12-epoxy1,2dioxepino4,3-iisochromen-10(12H)-one|(3R,5aS,6R,8aS,9R,12S,12aR)-Octahydro-3,6,9-trimethyl-3,12-epox12H-pyrano4,3-j-1,2-benzodioxepin-10(3H)-one| |
| Enmenol |
natural product |
Isodon rubescens|Isodon rubescens var. lushiensis|Isodon rubescens var. lushanensis|Isodon trichocarpa |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia |
3D viewer |
Pubchem |
|
46883404 |
No Cas |
CC1(CCC(C23C1C(C(C45C2CCC(C4O)C(=C)C5O)(OC3)O)O)O)C |
XWWQJYXCACMZIO-YSMIGFKBSA-N |
366.20000 |
C20H30O6 |
-2.2214 |
6 |
5 |
110.38 |
7.0 |
26 |
3 |
Cytotoxic ent-kaurane diterpenoids from Isodon rubescens var. lushiensis.|Isolation and purification of diterpenoids from the aerial parts of Isodon excisoides target-guided by UPLC-LTQ-Orbitrap-MS. |
|
| Bergapten |
bioactive compound |
Aegle marmelos|Heracleum lanatum| |
Gen=DNA/RNA Synthesis |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Melanoma|Murine Melanoma|Gen=DNA Damage |
3D viewer |
Pubchem |
|
2355 |
484-20-8 |
COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 |
BGEBZHIAGXMEMV-UHFFFAOYSA-N |
216.19000 |
C12H8O4 |
2.187 |
4 |
0 |
48.70 |
1.0 |
16 |
|
Bergapten is a psoralen that can be photoactivated and is capable of crossing-linking DNA, covalently modifying proteins and lipids, and consequently inhibiting cell replication. |
N/A |
| Z-Butylidenephthalide |
natural product |
Angelica sinensis|Ligusticum porteri|Angelica acutiloba|Ligusticum chuanxiong|Aucklandiae radix|Chuanxiong rhizoma|Angelica gigas|Cnidium officinale|Ligusticum sinense|Ligusticum jeholense|Ligusticum tenuissimum|Lonicera japonica |
Path=CCND1 pathway|CCNE1 pathway|CDK2 pathway|CDK4 pathway|CDK6 pathway|RB1 pathway|AIFM1 pathway|BAX pathway|CASP3 pathway|CASP8 pathway|CASP9 pathway|CDKN1A pathway|CDKN2A pathway|FAS pathway|TP53 pathway|none|NR4A1 pathway|NR4A2 pathway|GAPDH pathway|PRKCA pathway|CDKN1B pathway|BCL2 pathway|AKT1 pathway|CREB1 pathway|EIF2AK3 pathway|FOS pathway|PARP1 pathway|MAPK14 pathway|MAPK8 pathway|Serotonin 7 (5-HT7) receptor - Homo sapiens | Transient receptor potential cation channel subfamily M member 8 - Rattus norvegicus | Transient receptor potential cation channel subfamily A member 1 - Homo sapiens | Transient receptor potential cation channel subfamily A member 1 - Rattus norvegicus |Org= Drosophila melanogaster | Tyrophagus putrescentiae | Bemisia tabaci | Dermatophagoides farinae |
Dis=Acute Myeloid Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Breast Carcinoma|Central Nervous System Cancers|Brain Tumor|Glioblastoma|Neruoblastoma|Neuroblastoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Melanoma|Murine Melanoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Org=Drosophila melanogaster | Tyrophagus putrescentiae | Bemisia tabaci | Dermatophagoides farinae |
3D viewer |
Pubchem |
|
642376 |
72917-31-8 |
CCCC=C1C2=CC=CC=C2C(=O)O1 |
WMBOCUXXNSOQHM-FLIBITNWSA-N |
188.08000 |
C12H12O2 |
-0.0512 |
2 |
0 |
26.30 |
3.0 |
14 |
2 |
Chemical structure-activity of cnidium rhizome-derived phthalides for the competence inhibition of proliferation in primary cultures of mouse aorta smooth muscle cells.|The structure-activity relationship between synthetic butylidenephthalide derivatives regarding the competence and progression of inhibition in primary cultures proliferation of mouse aorta smooth muscle cells.|Reversal caused by n-butylidenephthalide from the deficits of inhibitory avoidance performance in rats.|Mechanisms underlying the vasorelaxing effects of butylidenephthalide, an active constituent of Ligusticum chuanxiong, in rat isolated aorta.|Inhibitory effects of ligustilide and butylidenephthalide on bFGF-stimulated proliferation of rat smooth muscle cells.|The induction of orphan nuclear receptor Nur77 expression by n-butylenephthalide as pharmaceuticals on hepatocellular carcinoma cell therapy. |
Butylidenephthalide|n-butylidenephthalide|(Z)-Butylidenephthalide|72917-31-8|3-Butylidenephthalide|551-08-6|1(3H)-Isobenzofuranone, 3-butylidene-, (3Z)-|Z-butylidenephthalide|BdPh|UNII-6GM611H175|CHEMBL249592|CHEBI:68233|(Z)-3-Butylidenephthalide|6GM611H175|NSC-325307|3-Butylidene phthalide|(Z)-3-butylideneisobenzofuran-1(3H)-one|(3Z)-3-Butylidene-2-benzofuran-1(3H)-one|1(3H)-ISOBENZOFURANONE, 3-BUTYLIDENE-|3-butylideneisobenzofuran-1-one|e-butylidenephthalide|AC1LD4VD|trans-3n-butylidenephthalide|3-Butylidenephthalide, (E)-|SCHEMBL290482|MolPort-003-960-096|WMBOCUXXNSOQHM-FLIBITNWSA-N|ZINC1573356|9108AF|BDBM50241315|NSC325307|SBB058020|3-Butylideneisobenzofuran-1(3H)-one|(3Z)-3-butylideneisobenzofuran-1-one|AKOS024286816|(3Z)-3-butylidene-2-benzofuran-1-one|ST096792|1(3H)-Isobenzofuranone,3-butylidene-,(3Z)-|C16924|UNII-2JL3MHX6ZE component WMBOCUXXNSOQHM-FLIBITNWSA-N|UNII-S9178G4B3F component WMBOCUXXNSOQHM-FLIBITNWSA-N|3-Butylidenephthalide, mixture of cis and trans isomers, >=96%, FG|InChI=1/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8| |
| n.a. |
natural product |
Artemisia annua|Artemisia apiacea |
Path=MAPK14 pathway |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Non-small Cell Lung Cancer|Gen=Others |
3D viewer |
Pubchem |
|
11832956 |
No Cas |
CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)O)C |
BJDCWCLMFKKGEE-SUZORCHOSA-N |
284.16000 |
C15H24O5 |
0.2487 |
5 |
1 |
57.15 |
4.0 |
20 |
3 |
|
Artenimol|Cotecxin|Cotexin|Alaxin|Dihydroqinghaosu|Dihydroartemisinine|DHQHS 2|71939-50-9|81496-81-3|CHEMBL470034|SCHEMBL12171172|CTK8A0914|MolPort-001-732-326|NP266|Pharmakon1600-01504143|NSC758682|NSC-758682|BRD-A82452087-001-01-5|(3R,5aS,6R,8aS,9R,10S,12R,12aR)-Decahydro-3,6,9-trimethyl- 3,12-epoxy-12H-pyrano4,3-j-1,2-benzodioxepin-10-ol|(3s,5as,6r,8as,9r,12r,12ar)-3,6,9-trimethyldecahydro-3,12-epoxy1,2dioxepino4,3-iisochromen-10-ol| |
| Artemisinin |
bioactive compound |
Artemisia annua| |
Path=MMP2 pathway|CDK2 pathway|CDK4 pathway|RB1 pathway|SP1 pathway|Gen=Anti-infection|Org=Plasmodium falciparum 3D7 | Plasmodium falciparum | Plasmodium berghei | Plasmodium falciparum (isolate K1 / Thailand) | Plasmodium falciparum D6|Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | TAR DNA-binding protein 43 - Homo sapiens | Nonstructural protein 1 - Influenza A virus | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis |Org= Plasmodium falciparum|Histidine-rich protein - Plasmodium falciparum | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Cytochrome P450 2B6 - Homo sapiens | Geminin - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Cytochrome P450 1A2 - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Cholinesterase - Equus caballus | Ferritin light chain - Equus caballus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens |Org= Plasmodium berghei | Plasmodium falciparum 3D7 | Ipomoea grandifolia | Toxoplasma gondii | Plasmodium falciparum (isolate FcB1 / Columbia) | Leishmania donovani | Trypanosoma cruzi | Epilachna | Issatchenkia orientalis | Plasmodium yoelii nigeriensis | Candida albicans | Trypanosoma brucei rhodesiense | Gallus gallus | Filobasidiella neoformans | Urochloa decumbens | Plasmodium vinckei petteri | Balamuthia mandrillaris | Hepatitis B virus | Giardia intestinalis | Plasmodium falciparum NF54 | Fusarium oxysporum|Androgen Receptor - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Huntingtin - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Melanoma|malignant melanoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=Microbiology |
3D viewer |
Pubchem |
|
68827 |
63968-64-9 |
CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)C |
BLUAFEHZUWYNDE-UHFFFAOYSA-N |
282.33000 |
C15H22O5 |
1.998 |
5 |
0 |
54.00 |
0.0 |
20 |
3 |
Artemisinin is a sesquiterpene endoperoxide which is a potent antimalarial agent. |
Qinghaosu,Artemisinine |
| Flavone |
natural product |
Lonchocarpus spp|Trifolium alexandrinum|Commelina communis|Ceratophyllum submersum|Carpobrotus edulis|Swertia hickinii|Plutella xylostella|Tilletia laevis|Daedaleopsis confragosa|Phoenix dactylifera|Epicoccum nigrum|Mahoniae caulis|Oroxylum indicum|Dracocephalum kotschyi|Ginkgo semen|Herba desmodii styracifolii|Lippia carviodora|Mahoniae eadix|Ilex rotunda|Radix tetrastigmatis hemsleyani|Aplysina cauliformis|Mahoniae folum|Rhizoma paridis|Amycolatopsis azurea|Hippophae fructus|Folium aconiti szechenyiani|Parmelia metastrigosa|Gleditsiae spina|Desmodium styracifolium|Oecophylla smaragdina|Streptomyces venezuelae|Primula pulverulenta|Lespedeza homoloba|Pericarpium citri reticulatae viride|Primula farinosa|Hemerocallis minor|Chamaemelum nobile|Psilostrophe cooperi|Schkuhria multiflora|Folium aconiti|Brucea javanica|Anthocleista grandiflora|Orgyia australis postica|Lolium perenne|Sideritis tragoriganum|Pneumatospora obcoronata|Cephalonomia gallicola|Centrolobium tomentosum|Myrica nana|Asplenium normale|Chrysanthemum morifolium|Yponomeuta malinellus|Helleborus caucasicus|Solanum jamaicense|Castanea crenata|Chelidonura fulvipunctata|Hypoestes serpens |
Gen=Others|Calmodulin - Homo sapiens | DNA-dependent protein kinase - Homo sapiens | Geminin - Homo sapiens | Androgen Receptor - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Poly [ADP-ribose] polymerase-1 - Homo sapiens | Tankyrase-2 - Homo sapiens | Survival motor neuron protein - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Nuclear receptor ROR-gamma - Homo sapiens | Xanthine dehydrogenase - Bos taurus | Nuclear receptor subfamily 1 group I member 2 - Rattus norvegicus | 11-beta-hydroxysteroid dehydrogenase 1 - Homo sapiens | Adenosine A3 receptor - Homo sapiens | ATP-binding cassette sub-family G member 2 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Carbonic anhydrase I - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Glucagon-like peptide 1 receptor - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Retinoid X receptor alpha - Homo sapiens | Nuclear factor NF-kappa-B p105 subunit - Homo sapiens | Ras-related protein Rab-9A - Homo sapiens | Tankyrase-1 - Homo sapiens | Adenosine A1 receptor - Rattus norvegicus | P-glycoprotein 1 - Homo sapiens | Glucocorticoid receptor - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Monoamine oxidase A - Homo sapiens | Carbonic anhydrase IX - Homo sapiens | Aryl hydrocarbon receptor - Homo sapiens | Aminopeptidase N - Homo sapiens | Epidermal growth factor receptor erbB1 - Homo sapiens | Triosephosphate isomerase, glycosomal - Trypanosoma cruzi | Niemann-Pick C1 protein - Homo sapiens | Heat shock protein beta-1 - Homo sapiens | Estradiol 17-beta-dehydrogenase 2 - Homo sapiens | Carbonic anhydrase XII - Homo sapiens | Interleukin-8 - Homo sapiens | Androgen Receptor - Rattus norvegicus | Cytochrome P450 19A1 - Homo sapiens | Carbonic anhydrase II - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Cyclooxygenase-2 - Mus musculus | Estradiol 17-beta-dehydrogenase 1 - Homo sapiens |Org= Rattus norvegicus | Trypanosoma cruzi | Spodoptera litura | Dermatophagoides pteronyssinus | Filobasidiella neoformans | Plasmodium falciparum | Candida parapsilosis | Human immunodeficiency virus 1 | Aspergillus niger |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Prostate Cancer|Prostate Adenocarcinoma|Gen=Others |
3D viewer |
Pubchem |
4HKI 2G0L |
10680 |
525-82-6 |
C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2 |
VHBFFQKBGNRLFZ-UHFFFAOYSA-N |
222.07000 |
C15H10O2 |
-0.5036 |
1 |
0 |
26.30 |
1.0 |
17 |
3 |
Possible involvement of superoxide anion in the induction of cyanide-resistant respiration in Hansenula anomala.|Protein-tyrosine kinase inhibition: mechanism-based discovery of antitumor agents.|Inhibition of mitochondrial NADH oxidase, succinoxidase, and ATPase by naturally occurring flavonoids.|Supercritical fluid extraction as a sample preparation technique for the direct isolation of drugs from plasma prior to analysis.|Effects of flavonoid compounds on the activity of NADPH diaphorase prepared from the mouse brain.|Anti-AIDS agents, 10. Acacetin-7-O-beta-D-galactopyranoside, an anti-HIV principle from Chrysanthemum morifolium and a structure-activity correlation with some related flavonoids. |
FLAVONE|525-82-6|2-Phenylchromone|2-Phenyl-4H-chromen-4-one|2-Phenyl-4-chromone|2-Phenyl-4H-1-benzopyran-4-one|Asmacoril|2-Phenyl-4-benzopyron|4H-1-Benzopyran-4-one, 2-phenyl-|Chromocor|Cromaril|2-phenylchromen-4-one|Phenylchromone|2-Phenyl-gamma-benzopyrone|2-Phenyl-chromen-4-one|2-Phenylbenzopyran-4-one|Cromarile|2-Phenyl-4H-benzopyran-4-one|Flavon|2-Phenylchrome|UNII-S2V45N7G3B|NSC 19028|2-Phenyl-4H-chromen-4-on|CCRIS 4288|NSC19028|EINECS 208-383-8|NSC-19028|BRN 0157598|2-Phenyl-.gamma.-benzopyrone|2-phenyl-1-benzopyran-4-one|MLS002638647|CHEMBL275638|S2V45N7G3B|CHEBI:42491|VHBFFQKBGNRLFZ-UHFFFAOYSA-N|MFCD00006825|NCGC00090962-05|Flavone, 99+%|DSSTox_CID_2048|F-2700|DSSTox_RID_76467|DSSTox_GSID_22048|54849-74-0|CAS-525-82-6|FLN|SMR000112315|Flavone, Flavone|4hki|Vitex agnus-castus|Flavone (VAN)|PubChem9849|2-PHENYLCHRONONE|ACMC-20aj2d|AC1L1VPW|Maybridge3_005286|Chaste tree berry Extract|bmse000945|Flavone (VAN) (8CI)|CBiol_000263|SCHEMBL18879|GTPL409|5-17-10-00552 (Beilstein Handbook Reference)|MLS002177804|MLS002473400|2-Phenylbenzobpyran-4-one|BIDD:ER0515|MEGxp0_001685|DTXSID2022048|2-Phenyl-4H-chromen-4-one #|ACon1_000055|CTK1G8239|ZINC57674|BIF1002|MolPort-001-016-955|ZX-AFC000856|HMS1446A06|HMS2269O06|HMS3604K19|Flavone solution, 20 mM in DMSO|2-PHENYL- GAMMA-BENZOPYRONE|KS-000016AQ|ZX-AT010673|Tox21_202987|Tox21_400059|ACM525826|ANW-75635|BDBM50028962|ICCB2_000263|LMPK12110097|OR1156|SBB072435|STK164205|AKOS000603572|CCG-214679|DB07776|MCULE-3856134714|VA10914|IDI1_016673|NCGC00090962-01|NCGC00090962-02|NCGC00090962-03|NCGC00090962-04|NCGC00090962-06|NCGC00168837-01|NCGC00260532-01|AK324531|CC-11825|LS-39844|SC-65147|ZB002210|2-Phenylchromone solution, 20 mM in DMSO|DB-052142|TR-018648|F0015|FT-0603450|ST45028199|A-8354|C10043|C15608|525F826|A829155|C-12398|Citrus Aurantium Extract pound Hesperidin pound(c)|L001213|CU-00000000060-1|Flavone - CASMI2016 Category 1 - Challenge 12|BRD-K86741145-001-01-5|I14-21772|6CC153EB-39A6-42FC-BE96-C8BF1D585E27|11091-19-3|InChI=1/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10| |
| (E/Z)-Stelliferin G |
natural product |
Jaspis spp|Jaspis sp.|Stelletta globostellata |
|
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Melanoma|malignant melanoma |
3D viewer |
Pubchem |
|
10768096 |
No Cas |
CC(=CCC(C(=CC=CC(=C1C(=O)CC2C1(CCC3C2(CCC(C3(C)CO)O)C)C)C)C)OC(=O)C)C |
LRKJRNYRZIABOX-SVOIAGRFSA-N |
512.35000 |
C32H48O5 |
3.2396 |
5 |
2 |
83.83 |
18.0 |
37 |
3 |
|
|
| Cudraxanthone D |
natural product |
Cudrania tricuspidata|Sophora alopecuroides |
Sialidase - Clostridium perfringens | Acyl coenzyme A:cholesterol acyltransferase 1 - Homo sapiens | Acyl coenzyme A:cholesterol acyltransferase 2 - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |
3D viewer |
Pubchem |
|
11611248 |
96552-41-9 |
CC(=CCC1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=CC(=C3C(C)(C)C=C)OC)O)C |
UIIGEZZURHDEDK-UHFFFAOYSA-N |
410.17000 |
C24H26O6 |
1.6485 |
1 |
3 |
96.22 |
13.0 |
30 |
3 |
Anti-atherosclerotic and anti-inflammatory activities of catecholic xanthones and flavonoids isolated from Cudrania tricuspidata.|Characteristic of neuraminidase inhibitory xanthones from Cudrania tricuspidata. |
cudraxanthone D|96552-41-9|CHEMBL425926|MolPort-035-706-470|BDBM50175019|ZINC13411981|AKOS032948528|4CN-1670|W2633|2,3,8-trihydroxy-6-methoxy-1-(3-methylbut-2-enyl)-5-(2-methylbut-3-en-2-yl)-9H-xanthen-9-one|2,3,8-trihydroxy-6-methoxy-5-(2-methyl-3-buten-2-yl)-1-(3-methyl- 2-buten-1-yl)-9h-xanthen-9-one| |
| Cis-P-Coumaric Acid |
natural product |
Plantago major|Rhodiola sachalinensis|Ranunculus ternatus|Aristolochia debilis|Cremastra appendiculata|Lycium barbarum|Rhododendron dauricum|Carthamus tinctorius|Eucommia ulmoides|Imperata cylindrica|Citrus reticulata|Toxicodendron vernicifluum|Centella asiatica|Ginkgo biloba|Fagopyrum dibotrys|Rosa chinensis|Chelidonium majus|Hippophae rhamnoides|Taraxacum mongolicum|Rosa rugosa|Cirsium japonicum|Inula britannica|Boehmeria nivea|Rubus chingii|Citrus aurantium|Inula japonica|Juglans regia|Notopterygium incisum|Rubus coreanus|Lilium brownii|Polygonum orientale|Rumex chalepensis|Citrus unshiu|Lilium lancifolium|Phragmites communis|Rumex japonicus|Commelina communis|Lilium pumilum|Oryza sativa|Schisandra chinensis|Cornus officinalis|Linum usitatissimum|Arum ternatum thunb|Scrophularia buergeriana|Lonicera japonica|Lycii fructus|Scrophularia ningpoensis|Luffa aegyptiaca|Selaginella doederleinii hieron|Scutellaria barbata|Hedysarum multijugum maxim|Senecio scandens|Lycium chinense|Notopterygii rhizoma et radix|Solanum nigrum|Melia azedarach|Rhizoma fagopyri cymosi|Sparganium stoloniferum|Melia azedarach var. toosendan|Broussonetiae fructus|Styrax benzoin|Morus alba|Curcumae radix|Styrax tonkinensis|Morus bombycis|Eucommiae cortex|Nardostachys jatamansi|Persicae semen|Nelumbo nucifera|Taraxacum borealisinense|Flos genkwa|Oldenlandia diffusa|Taraxacum coreanum|Eleutherococcus senticosus|Ipomoea nil|Aconitum carmichaelii|Ipomoea purpurea|Taraxacum officinale|Aconitum japonicum|dracocephalum ruyschiana|Pleione bulbocodioides|Taraxacum platycarpum|Albizia julibrissin|Epimedium sagittatum|Pleione yunnanensis|Thymus quinquecostatus|Allium sativum|Coix lacryma-jobi|Polygonum cuspidatum|Thymus vulgaris|Aloe africana|Vigna angularis|Aloe vera|Rhodiola rosea|Fallopia multiflora|Vigna umbellata|Aloe ferox|Persicaria orientalis|Vigna umbeuata|Aloe spicata|Prunella vulgaris|Portulaca oleracea|Ziziphus jujuba|Alcea rosea|Aristolochia contorta|Phyllostachys nigra|Punica granatum |
Gen=Anti-infection |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Melanoma|Murine Melanoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Gen=Microbiology |
3D viewer |
Pubchem |
2PHY 3PHY 5J0A 4WLA |
1549106 |
cis-4-Hydroxycinnamic acid |
C1=CC(=CC=C1C=CC(=O)O)O |
NGSWKAQJJWESNS-UTCJRWHESA-N |
164.05000 |
C9H8O3 |
-0.339 |
2 |
2 |
57.53 |
4.0 |
12 |
1 |
|
cis-p-Coumaric acid|cis-4-Hydroxycinnamic acid|(Z)-p-Coumaric acid|cis-p-Cumaric acid|cis-p-Hydroxycinnamic acid|cis-p-Coumarinic acid|(Z)-3-(4-Hydroxyphenyl)-2-propenoic acid|4501-31-9|cis-p-Coumarate|EINECS 224-813-7|(Z)-p-hydroxycinnamic acid|CINNAMIC ACID, p-HYDROXY-, (Z)-|(2Z)-3-(4-hydroxyphenyl)prop-2-enoic acid|CHEBI:17450|J-502594|2-Propenoic acid, 3-(4-hydroxyphenyl)-, (Z)-|cis-4-coumaric acid|AC1LU7RB|SCHEMBL434720|4-coumaric acid, (Z)-isomer|CHEMBL2336752|NGSWKAQJJWESNS-UTCJRWHESA-N|Cinnamic acid, 4-hydroxy-, cis-|NSC90284|ZINC4632590|NSC-90284|(Z)-3-(4-hydroxyphenyl)acrylic acid|RP17401|(2Z)-3-(4-hydroxyphenyl)acrylic acid|LS-54113|SC-52060|(Z)-3-(4-hydroxyphenyl)prop-2-enoic acid|(2Z)-3-(4-Hydroxyphenyl)-2-propenoic Acid|C06738|501H319|15F90638-DCF1-4922-AFB2-BAF5EA308C8C|2-Propenoic acid, 3-(4-hydroxyphenyl)-, (Z)- (9CI)| |
| Suberosol A |
natural product |
Subergorgia suberosa |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
10014356 |
No Cas |
CC1(CC2C1CC(C3(C(O3)CCC2=C)C)O)C |
FWFSLBQGEMBSLF-ZHZXCYKASA-N |
236.18000 |
C15H24O2 |
1.1481 |
2 |
1 |
32.76 |
4.0 |
17 |
3 |
|
|
| 5-[(3R,3As,6R,6As)-3-(1,3-Benzodioxol-5-Yl)-1,3,3A,4,6,6A-Hexahydrofuro[3,4-C]Furan-6-Yl]-1,3-Benzodioxole |
natural product |
Zanthoxylum americanum|Sesamum indicum|Asiasarum heterotropoides|Millettia racemosa|Alcyonium grandis|Eskemukerjea megacarpum|Centaurea nigrescens|Parmelia conspersa|Daphne blagayana|Vernonia tufnellae|Cleidion brevipetiolatum|Ficus maxima|Lycoris x chejuensis|Ammi majus|Selinum carvifolium|Phedimus kamtschaticus|Machaerium mucronulatum|Dipterocarpus pilosus|Plumbago europaea|Oscillatoria princeps|Fagara heitzii|Magnolia acuminata|Phormia regina|Artemisia schmidtiana|Pseudocyphellaria hirsuta|Coreopsis fasciculata|Babylonia japonica|Tabebuia rosea|Apterostigma dentigerum|Orthosiphon wulfenioides|Sidastrum acuminatum|Cortinarius basirubescens|Phytolacca acinosa|Pyrocystis lunula|Dorstenia lindeniana|Laurencia elata|Ophiorrhiza kuroiwae|Digitalis obscura|Colubrina asiatica|Mosla scabra|Arcangelisia gusanlung|Triglochin maritima|Moquiniastrum paniculatum|Tanacetum santolina|Allium ursinum|Escallonia philippiana|Beauveria felina|Vigna angularis|Conyza canadensis|Mesua elegans|Ophioglossum vulgatum|Cirsium japonicum|Urtica triangularis|Helipterum strictum|Syncolostemon parviflorus|Michelia rajaniana|Neolitsea pulchella|Ruta microcarpa|Ozoroa insignis|Cladonia pseudodidyma|Brenneria rubrifaciens|Punica granatum|Parastrephia lepidophylla|Cladosporium herbarum|Gleichenia glauca|Dunaliella acidophila|Penstemon secundiflorus|Copaifera paupera|Citrus tankan|Manduca sexta|Lactobacillus acidophilus|Cuphea carthagenensis|Lotus villosus|Pouzolzia occidentalis|Eleutherococcus gracilistylus|Laurencia saitoi|Zanthoxylum monophyllum|Eleutherococcus senticosus|Euphorbia segetalis|Crinum defixum|Acanthopanax sessiliflorum|Agathis lanceolata|Lentinellus omphalodes|Ochtodes crockeri|Asarum heterotropoides|Cladiella krempfi|Coleus carnosus|Talaromyces wortmanni|Asarum sieboldii|Thuja plicata|Matteuccia struthiopteris|Hilliardiella oligocephala|Lathyrus macrorrhizus|Taiwanofungus camphoratus|Erythrina orientalis|Asiasarum sieboldii|Phlogacanthus thyrsiflorus|Aplidium orthium|Aspergillus candidus|Chaetomium retardatum|Piper longum|Podocarpus lawrencei|Chamaemelum scariosum|Cuscuta chinensis|Sarcomyxa serotina|Cardiospermum halicacabum|Senecio erraticus|Dracaena concinna|Dioscoreophyllum cumminsii|Cinnamomum camphora|Leptospermum scoparium|Aristolochia elegans|Simmondsia chinensis|Liparis keitaoensis|Russula subnigricans|Artemisia austriaca|Daphne genkwa|Phora atra|Crepis foetida|Brickellia pendula|Hesperocyparis nevadensis|Entandrophragma cylindricum|Echinus miliaris|Aglaia elaeagnoidea|Polyporus sulphureus|Stevia serrata|Astragalus gummifer|Piper arboreum|Isodon amethystoides|Juniperus thurifera|Anacystis cyanea|Callyspongia truncata|Onychopetalum amazonicum|Timonius kaniensis|Modiolus demissus|Amycolatopsis lurida|Garcinia hombroniana|Chrysolaena propinqua|Crotalaria lechnaultii|Umbelopsis vinacea|Hippocratea indica|Aglaia meridionalis |
Path=AKT1 pathway|HIF1A pathway|IL6 pathway|IL8 pathway|MAPK14 pathway|MMP9 pathway|NFKB1 pathway|TNF pathway|VEGFA pathway|TFF1 pathway|BCL2 pathway|BIRC5 pathway|CCND1 pathway|ICAM1 pathway|NFKB2 pathway|NFKBIA pathway|RELA pathway|PTGS2 pathway|Gen=Others|Chromobox protein homolog 1 - Homo sapiens | TAR DNA-binding protein 43 - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Glucagon-like peptide 1 receptor - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | DNA polymerase iota - Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Multiple Myeloma|Plasmacytoma|Multiple Myeloma |Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Lung Epithelial Carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|prostate Carcinoma|mouse tumor model|mouse skin and pulmonary tumor|Gen=Others |
3D viewer |
Pubchem |
234D 235D 215D 2DES |
382073 |
No Cas |
C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6 |
PEYUIKBAABKQKQ-NSMLZSOPSA-N |
354.11000 |
C20H18O6 |
-1.6034 |
2 |
0 |
55.38 |
2.0 |
26 |
6 |
Inhibition of phospholipase Cgamma1 and cancer cell proliferation by lignans and flavans from Machilus thunbergii. |
(-)-sesamin|UNII-9VCT11F572|9VCT11F572|Sesamin, (-)-|diasesamin|AI3-21201|AC1L8IJS|13079-95-3|AC1Q712J|CHEMBL1968861|CTK5J7829|NSC669389|NSC-669389|1,3-Benzodioxole, 5,5'-(tetrahydro-1H,3H-furo(3,4-c)furan-1,4-diyl)bis-, cis-(-)-|NCI60_024205|UNII-FY3S29JVC9 component PEYUIKBAABKQKQ-NSMLZSOPSA-N|5,5'-(1r,3as,4r,6as)-tetrahydro-1h,3h-furo3,4-cfuran-1,4-diylbis(1,3-benzodioxole)|1,3-benzodioxole, 5,5'-(1R,3aS,4R,6aS)-tetrahydro-1H,3H-furo3,4-cfuran-1,4-diylbis-|5-(3R,3aS,6R,6aS)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro3,4-cfuran-6-yl-1,3-benzodioxole| |
| Bisnicalaterine A |
natural product |
Hunteria zeylanica |
Org=Plasmodium falciparum |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Multiple Myeloma|Plasmacytoma|Non-small Cell Lung Cancer|Squamous Celll Carcinoma|Org=Plasmodium falciparum |
3D viewer |
Pubchem |
|
46881335 |
No Cas |
CC=C1CN(C2CC3=C(C(CC1C2C(=O)OC)N4C5=CC=CC=C5C6=C4C(CC7C(C(C6)N(CC7=CC)C)C(=O)OC)O)NC8=CC=CC=C38)C |
TYYBJRHYBIULFL-STVOPARKSA-N |
690.38000 |
C42H50N4O5 |
0.9089 |
9 |
2 |
100.03 |
12.0 |
51 |
8 |
|
|
| (-)-Syringaresinol |
natural product |
Daphne genkwa|Epimedium koreanum|Zanthoxylum avicennae|Berberis koreana|Epimedium pubescens|Hypericum foliosum|Aphis nerii|Laurencia saitoi|Epimedium sagittatum|Heliotropium hirsutissimum|Ilyonectria destructans|Conium maculatum|Sophora leachiana|Epimedium sempervirens|Tylophora tanakae|Passiflora morifolia|Nicotiana raimondii|Hosta sieboldiana|Epimedium wushanense|Streptomyces filamentosus|Phebalium dentatum|Asteriscus aquaticus|Xanthoria parietina|Hedysarum polybotrys|Jacobaea cannabifolia|Neolitsea pulchella|Tephrosia bidwilli|Centaurea africana|Betula platyphylla|Isatis tinctoria|Xanthium strumarium|Metridium senile|Echinus microtuberculatus|Ecballium elaterium|Lepidium apetalum|Solanum spirale|Liparis keitaoensis|Solanum andigena|Magnolia obovata|Iotrochota purpurea|Inula salsoloides|Lobeliae chinensis herba|Magnolia officinalis|Isodon amethystoides|Hortonia floribunda|Pteris japonica|Solanum aculeatissimum|Phellodendri amurensis cortex|Ipomoea nil|Ligustrum obtusifolium|Senecio gilliesi|Capparis ovata|Polygonati rhizoma|Ipomoea purpurea|Plakortis simplex|Celastrus monospermus|Croton montevidensis|Polygonati odorati rhizoma|Pleione bulbocodioides|Alstonia undulifolia|Arum maximum|Mycale mytilorum|Eleutherococcus senticosus|Pleione yunnanensis|Inulanthera calva|Dracaena concinna|Aglaia pyramidata|Albizia julibrissin|Polygonatum odoratum|Pittosporum illicioides|Pseudocyphellaria hirsuta|Aconitum vilmorini|Saussurea costus|Polygonum flaccidum|Dalbergia sympathetica|Dysidea villosa|Chrysanthemum indicum|Notechis scutatus|Viviparus japonicus|Aria dentata|Spiracantha cornifolia|Chrysanthemum x morifolium|Punica granatum|Datisca glomerata|Trollius europaeus|Dioscorea olfersiana|Cistanche deserticola|Sambucus williamsii|Clathria prolifera|Cinnamomum subavenium|Eutrochium purpureum|Cistanche tubulosa|Sinomenium acutum|Agardhiella subulata|Helichrysum auriceps|Chamomilla recutita|Cremastra appendiculata|Solanum nigrum|Myelobia smerintha|Lactarius subpiperatus|Zanthoxylum simulans|Acronychia laurifolia|Stephania tetrandra|Passiflora caerulea|Picris rhagadioloides|Rhododendron vaccinioides|Dianthus versicolor|Dendrobium candidum|Fagus fusca|Codonopsis pilosula|Citrullus colocynthis|Jatropha dioica|Phyllanthus oligospermus|Dendrobium chrysanthum|Ophiorrhiza kuroiwae|Morinda coreia|Myristica cagayanensis|Helichrysum rugulosum|Strobilanthes formosana|Dendrobium chrysotoxum|Thielavia terricola|Quercus imbricaria|Fuscospora fusca|Talipariti tiliaceum|Chromodoris youngbleuthi|Dendrobium fimbriatum|Asclepias subulata|Vigna angularis|Hubertia tomentosa|Mortonia palmeri|Cassine papillosa|Pseudowintera colorata|Dendrobium loddigesii|Daphne feddei|Anthemis fuscata|Balsamorhiza macrophylla|Lotus ucrainicus|Dendrobium nobile|Conus pulicarius|Pajanelia multijuga|Charpentiera obovata|Schrebera swietenoides|Descurainia sophia|Agathis lanceolata|Agave deserti|Sinocalamus affinis|Dioscorea nipponica|Scolopia chinensis|Parmelia zollingeri|Vernonia lilacina|Machilus robusta|Epimedium brevicornu|Epimedium grandiflorum|Streptomyces platensis|Scrophularia koelzii|Garcia parviflora|Candida albicans|Ophidiaster ophidianus |
Path=BCL2 pathway|CCND1 pathway|CDK2 pathway|CDK4 pathway|CDK6 pathway|BAX pathway|CASP3 pathway|CASP9 pathway|CDKN1A pathway|CDKN1B pathway|CCNE1 pathway|Org=Plasmodium falciparum |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Org=Plasmodium falciparum |
3D viewer |
Pubchem |
|
11604108 |
6216-81-5 |
COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC |
KOWMJRJXZMEZLD-WRMVBYCNSA-N |
418.16000 |
C22H26O8 |
-2.1258 |
2 |
2 |
95.84 |
12.0 |
30 |
4 |
P-glycoprotein inhibitory activity of two phenolic compounds, (-)-syringaresinol and tricin from Sasa borealis.|(-)-Syringaresinol inhibits proliferation of human promyelocytic HL-60 leukemia cells via G1 arrest and apoptosis.|2-Phenoxychromones and prenylflavonoids from Epimedium koreanum and their inhibitory effects on LPS-induced nitric oxide and interleukin-1 production. |
(-)-syringaresinol|6216-81-5|CHEBI:49212|DL-Syringaresinol|(7beta,7'beta,8beta,8'beta)-3,3',5,5'-tetramethoxy-7,9':7',9-diepoxylignane-4,4'-diol|CHEMBL402653|SCHEMBL16562875|KOWMJRJXZMEZLD-WRMVBYCNSA-N|MolPort-035-706-075|1177-14-6|ZINC29041899|AKOS030231411|W1853|4,4'-(1R,3aS,4R,6aS)-Tetrahydro-1H,3H-furo3,4-cfuran-1,4-diylbis(2,6-dimethoxyphenol)|6216-82-6| |
| Taraxerol |
natural product |
Myrica rubra|Narcissus concolor|Pteris inaequalis|Cupania cinerea|Forsteronia refracta|Ilicis cornutae folium immayuri|Crataegus pontica|Aloe ballyi|Ervum lens|Daphne genkwa|Tetradium glabrifolium|Inula grantioides|Codonopsis pilosula|Evasterias troschelii|Rhodoglossum japonicum|Cassia javanica subsp. nodosa|Ventilago leiocarpa|Eunicella cavolinii|Baeria californica|Xanthomendoza fallax|Echinocystis lobata|Heterotheca grandiflora|Eragrostis viscosa|Uvaria macrophylla|Sophora angustifolia|Acacia cambagei|Xyris pterygoblephara|Lactobacillus helveticus|Styrax japonica|Gaillardia spathulata|Litsea pungens|Codonopsis pilosula subsp. tangshen|Convallaria keiskei|Cordylanthus kingii|Eucalyptus regnans|Aconitum nevadense|Pinna nobilis|Euryops algoensis|Camellia sasanqua|Euphorbia hirta|Quercus robur|Crinipellis scabella|Agave shawii|Myrtus tomentosa|Cystophora scalaris|Pseudostellaria heterophylla|Kaunia saltensis|Juglans nigra|Smallanthus glabratus|Cynoglossum amabile|Dermolepida albohirtum|Vitex rotundifolia|Melaleuca decora|Codium arabicum|Balanophora japonica|Lathyrus tingitanus|Manihot esculenta|Bersama yangambiensis|Vitex trifolia|Coptis trifolia subsp. groenlandica|Girgensohnia diptera|Rauvolfia salicifolia|Rhododendron aureum|Heliotropium floridum|Streptomyces parvisporogenes|Baeomyces roseus|Penicillium kapuscinskii|Hovenia acerba|Amblyraja radiata|Polycephalomyces nipponicus|Plectosphaerella cucumerina|Alchornea cordifolia|Nauclea officinalis|Salmonella enterica subsp. enterica serovar bovismorbificans|Conoideocrella luteorostrata|Thalictrum longistylum|Naja kaouthia|Corynanthe pachyceras|Tricholoma batschii|Aaptos aaptos|Strychnos spinosa|Nuphar lutea|Liatris squarrosa|Ruta pinnata|Arenaria juncea|Plumeria alba|Artemisia schimperi|Plectranthus caninus|Disynaphia halimifolia|Thesium humile|Senecio polyodon|Lecidea speirodes|Atylosia trinervia|Phlomoides medicinalis|Anatheca montagnei|Astrantia major|Alnaster fruticosus|Iris ensata|Oncoba echinata|Athanasia dregeana|Ptelea aptera|Stevia polycephala|Dendrodoris tuberculosa|Doodia picta|Phoenix loureiroi|Viguiera oblongifolia|Felicia amelloides|Amomum daniellii|Aspergillus unguis|Streptomyces xanthochromogenes|Hygrophorus eburneus|Polygala ruwenzoriensis|Conocephalum japonicum|Ajuga reptans|Salvia parryi|Ophiolepis superba|Dirca occidentalis|Berberis crataegina|Aster fruticosus|Pinus armandii|Euphorbia iberica|Plumbago pulchella|Keiferia lycopersicella|Pachybasium candidum|Senecio desfontainei|Arnica viscosa|Senna sophera|Edgeworthia gardneri|Teucrium depressum|Calcarisporium thermophilum|Roccellaria mollis|Corydalis persica|Calophyllum thwaitesii|Rhizoplaca baranowii|Bacillus subtilis|Comamonas testosteroni|Drypetes littoralis|Hypoxylon microplacum|Viburnum urceolatum|Glycosmis pseudoracemosa|Rosa hybrid cultivar|Werneria decora|Trichilia rubescens|Cota tinctoria|Peucedanum oroselinum|Sarcotragus spinosulus|Thymus piperella|Aster alpinus|Khaya grandifoliola|Mangifera indica|Schisandra arisanensis|Dorstenia psilurus|Polytolypa hystricis|Picea mariana|Acacia sparsiflora|Gomortega keule|Croton cumingii|Grewia mollis|Calceolaria thyrsiflora|Turpinia ternata|Annona impressivenia|Lepisorus thunbergianus|Hopea jucunda|Elephantopus mollis|Ursinia cakilefolia|Ania latifolia|Haminoea orbignyana|Tilia vulgaris|Atalantia wightii|Leucopaxillus gentianeus|Juniperus horizontalis|Rhizobium etli|Sophora japonica|Achyranthes bidentata|Silene inflata|Rumex conglomeratus|Gardenia jasminoides|[polyangium] brachysporum|Alseodaphne corneri|Micromonas pusilla|Syzygium jambos|Salvia dorrii|Alaria crispa|Rubrivivax gelatinosus|Alexandrium excavatum|Parabenzoin trilobum|Bitis arietans|Fridericia chica|Streptosporangium vulgare|Helenium quadridentatum|Kaempferia marginata|Raputia simulans|Petasites georgicus|Aulacocephalus temmincki|Guatteria elata|Carpinus cordata|Paramignya griffithii|Castanopsis sclerophylla|Evodiopanax innovans|Papilio phorcas|Streptomyces griseoplanus|Grindelia perennis|Codonopsis radix|Neothyonidium magnum|Gymnocarpium robertianum|Xanthoparmelia pokornyi|Baccharis solieri|Arctotis aspera|Haemanthus toxicarius|Pseudostellariae radix|Podocarpus montanus|Ambrosia grayi |
Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Nitric oxide synthase, inducible - Mus musculus |Org= Trypanosoma brucei rhodesiense | Plasmodium falciparum (isolate K1 / Thailand) |
Dis=Acute Myeloid Leukemia|Basophilic Leukemia|Org=Trypanosoma brucei rhodesiense | Plasmodium falciparum (isolate K1 / Thailand) |
3D viewer |
Pubchem |
|
92097 |
127-22-0 |
CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)C |
GGGUGZHBAOMSFJ-GADYQYKKSA-N |
426.39000 |
C30H50O |
3.4636 |
1 |
1 |
20.23 |
9.0 |
31 |
5 |
Acetylcholinesterase inhibitors from the twigs of Vaccinium oldhami Miquel.|[Effects of taraxerol and taraxerol acetate on cell cycle and apoptosis of human gastric epithelial cell line AGS].|Impact of Taraxerol in combination with extract of Euphorbia tirucalli plant on biological parameters of Lymnaea acuminata.|Identification of myricetin and scutellarein as novel chemical inhibitors of the SARS coronavirus helicase, nsP13.|Taraxerol inhibits LPS-induced inflammatory responses through suppression of TAK1 and Akt activation.|Discovery of ?-mangostin as a novel competitive inhibitor against mutant isocitrate dehydrogenase-1. |
Taraxerol|127-22-0|alnulin|D-Friedoolean-14-en-3beta-ol|skimmiol|tiliadin|UNII-A32778O852|CHEBI:9402|CHEMBL511822|(3beta)-D-friedoolean-14-en-3-ol|A32778O852|(3S,4aR,6aR,8aR,12aR,12bS,14aR,14bR)-4,4,6a,8a,11,11,12b,14b-octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-ol|AC1L3NES|SCHEMBL569463|AC1Q59X3|MolPort-028-754-127|ZINC4082498|3beta-Taraxerol, analytical standard|BDBM50242128|AKOS032962064|D-Friedoolean-14-en-3-ol, (3beta)-|W2552|C08637|(3S,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol| |
| (+)-Eudesmin |
natural product |
Hernandia nymphaeifolia|Hernandia peltata|Mycale adhaerens|Eucommia ulmoides|Panulirus longipes|Eleutherococcus senticosus|Rhynchosia volubilis|Magnolia biondii|Humbertia madagascariensis|Streblus asper|Ostracion lentiginosus|Clinopodium vulgare|Betula humilis|Thalictrum urbaini|Swietenia mahagoni|Pectobacterium carotovorum|Erythroxylum novogranatense|Streptomyces subrutilus|Lindera praecox|Streptomyces omiyaensis|Corallina pilulifera|Swertia patens|Baliospermum montanum|Acanthopanax senticosus|Lactobacillus reuteri|Bistorta manshuriensis|Eucommiae cortex|Clusia congestiflora|Acorus calamus|Calyptranthes pallens|Acorus gramineus|Clerodendrum fragrans|Acorus tatarinowii|brazilian red propolis|Knoxia valerianoides|Magnolia fargesii|Magnolia denudata|Mollisia caesia|Magnolia kobus|Sarcophyton mililatensis|Magnolia salicifolia|Trixis vauthieri|Magnolia sprengeri|Fusarium asiaticum|Streptomyces limosus |
Org=Oscillatoria perornata | Phomopsis obscurans |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|large cell carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|prostate Carcinoma|Org=Oscillatoria perornata | Phomopsis obscurans |
3D viewer |
Pubchem |
|
73117 |
29106-36-3 |
COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)OC)OC)OC |
PEUUVVGQIVMSAW-RZTYQLBFSA-N |
386.17000 |
C22H26O6 |
-1.2052 |
2 |
0 |
55.38 |
10.0 |
28 |
4 |
In vitro inhibitory effects of Daphne oleoides ssp. oleoides on inflammatory cytokines and activity-guided isolation of active constituents.|Isolation and identification of antifungal and antialgal alkaloids from Haplophyllum sieversii.|Effects of (+)-eudesmin from the stem bark of magnolia kobus DC. var. borealis Sarg. on neurite outgrowth in PC12 cells.|Reversal of P-glycoprotein-mediated drug efflux by eudesmin from Haplophyllum perforatum and cytotoxicity pattern versus diphyllin, podophyllotoxin and etoposide.|In vitro anti-inflammatory activity of lignans isolated from Magnolia fargesii.|Inhibitory Effects of Dimethyllirioresinol, Epimagnolin A, Eudesmin, Fargesin, and Magnolin on Cytochrome P450 Enzyme Activities in Human Liver Microsomes. |
(+)-Eudesmin|Pinoresinol dimethyl ether|29106-36-3|Eudesmin|AC1L2JAN|UNII-3TPV0HJ9B0|AC1Q70YM|CHEBI:23|3TPV0HJ9B0|(+)-pinoresinol dimethyl ether|(3S,3aR,6S,6aR)-3,6-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro3,4-cfuran|Pinoresinol, O,O-dimethyl-|526-06-7|NSC 35476|(1s,3ar,4s,6ar)-1,4-bis(3,4-dimethoxyphenyl)-hexahydrofuro3,4-cfuran|SureCN12427086|CHEMBL519099|SCHEMBL12427086|CTK6J7000|MolPort-002-507-449|ZINC1668160|AKOS002141813|MCULE-2307890111|MCULE-6571787081|C10561|(1S,3aR,4S,6aR)-1,4-bis(3,4-dimethoxyphenyl)hexahydrofuro3,4-cfuran|(1S,3alphaR,4S,6alphaR)-1,4-Bis(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo(3,4-C)furan|(1s,3ar,4s,6ar)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro4,3-cfuran|1H,3H-Furo(3,4-c)furan, 1,4-bis(3,4-dimethoxyphenyl)tetrahydro-, (1R-(1alpha,3aalpha,4alpha,6aalpha))-|NCGC00380478-01!(3S,3aR,6S,6aR)-3,6-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro3,4-cfuran| |
| 17-Epi-N-Demethylholacurtine |
natural product |
Holarrhena curtisii |
Org=Leishmania donovani |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Org=Leishmania donovani |
3D viewer |
Pubchem |
|
10504820 |
No Cas |
CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C(=O)C)O)C)C)OC)N |
XNPZZOKPHOMJPJ-UEYLWJOPSA-N |
477.35000 |
C28H47NO5 |
-1.2915 |
6 |
2 |
91.01 |
11.0 |
34 |
5 |
|
|
| Communin A |
natural product |
Polytrichum commune|Anabaena laxa|Flavoparmelia euplecta|Croton ruizianus|Sidnyum turbinatum|Oxytropis muricata|Adesmia boronioides |
|
Dis=Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Adult T-cell leukemia/lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
44233686 |
No Cas |
C1C(OC2=C(C1=O)C(=CC(=C2)O)C=CC3=CC=CC=C3)C4=CC=CC=C4 |
ZPNXTAJKEFNJMW-GMGKOPGTSA-N |
342.13000 |
C23H18O3 |
-0.426 |
1 |
1 |
46.53 |
4.0 |
26 |
4 |
|
|
| Linalool |
bioactive compound |
Plantago asiatica|Satureja hortensis|Satureja montana| |
Gen=NMDAR |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Gen=Neuronal Signaling |
3D viewer |
Pubchem |
|
6549 |
78-70-6 |
CC(=CCCC(C)(C=C)O)C |
CDOSHBSSFJOMGT-UHFFFAOYSA-N |
154.25000 |
C10H18O |
2.735 |
0 |
0 |
20.20 |
4.0 |
11 |
|
Linalool, a monoterpene compound commonly found as major component of essential oils of several aromatic species, is a competitive antagonist of NMDA receptors. |
Phantol |
| Eleutheroside E |
natural product |
Kalopanax pictus|Eleutherococcus gracilistylus|Eleutherococcus senticosus|Acanthopanax sessiliflorum|Panax ginseng |
|
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma |
3D viewer |
Pubchem |
|
71312557 |
39432-56-9 |
COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C3C4COC(C4CO3)C5=CC(=C(C(=C5)OC)OC6C(C(C(C(O6)CO)O)O)O)OC |
FFDULTAFAQRACT-JSGUJALWSA-N |
742.27000 |
C34H46O18 |
-5.6196 |
12 |
8 |
254.14 |
24.0 |
52 |
6 |
Determination of eleutheroside E and eleutheroside B in rat plasma and tissue by high-performance liquid chromatography using solid-phase extraction and photodiode array detection.|Active components from Siberian ginseng (Eleutherococcus senticosus) for protection of amyloid (25-35)-induced neuritic atrophy in cultured rat cortical neurons.|Simultaneous determination of Eleutheroside B and Eleutheroside E in rat plasma by high performance liquid chromatography-electrospray ionization mass spectrometry and its application in a pharmacokinetic study.|Anti-proliferative activity of hydnocarpin, a natural lignan, is associated with the suppression of Wnt/-catenin signaling pathway in colon cancer cells.|High glucose induces rat mesangial cells proliferation and MCP-1 expression via ROS-mediated activation of NF-B pathway, which is inhibited by eleutheroside E. |
Eleutheroside E|39432-56-9|UNII-8JP2P44H3Z|8JP2P44H3Z|CHEMBL2442731|MolPort-039-052-310|(1R,3aR,4S,6aS)-Tetrahydro-1H,3H-furo3,4-cfuran-1,4-diylbis(2,6-dimethoxy-4,1-phenylene) bis-|A-D-glucopyranoside|HY-N0272|ZINC96938759|AKOS030526142|CS-5288|C20786|(1r,3ar,4s,6as)-tetrahydro-1h,3h-furo3,4-cfuran-1,4-diylbis(2,6-dimethoxy-4,1-phenylene) bis-beta-d-glucopyranoside|b-D-Glucopyranoside,(1R,3aR,4S,6aS)-tetrahydro-1H,3H-furo3,4-cfuran-1,4-diylbis(2,6-dimethoxy-4,1-phenylene)bis-|beta-D-Glucopyranoside, ((1R,3aR,4S,6aS)-tetrahydro-1H,3H-furo(3,4-c)furan-1,4-diyl)bis(2,6-dimethoxy-4,1-phenylene) bis-| |
| Silibinin |
natural product |
Silybum marianum |
Path=ERBB2 pathway|TP53 pathway|MYC pathway|SLC2A4 pathway|AKT1 pathway|TBC1D4 pathway|CASP3 pathway|LDHA pathway|PSA pathway|N/A|BCL2L1 pathway|MAPK14 pathway|MMP9 pathway|JUN pathway|MAP2K1 pathway|MAPK1 pathway|MAPK3 pathway|MAPK8 pathway|RAF1 pathway|CYCS pathway|EGFR pathway|IGF1R pathway|PTK2 pathway|VEGFA pathway|BID pathway|BIRC5 pathway|CASP8 pathway|CASP9 pathway|CFLAR pathway|TNFRSF10C pathway|DDIT3 pathway|TNFRSF10B pathway|FOS pathway|JUND pathway|MAPK9 pathway|MMP2 pathway|NFKB1 pathway|NFKB2 pathway|PLAU pathway|EIF4G1 pathway|HIF1A pathway|MTOR pathway|RPS6 pathway|RPS6KB2 pathway|STAT3 pathway|SPDEF pathway|CCND1 pathway|MCL1 pathway|EIF2A pathway|PARP1 pathway|Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | DNA polymerase iota - Homo sapiens | DNA polymerase eta - Homo sapiens | Large T antigen - Simian virus 40 | Geminin - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus |Org= Plasmodium falciparum|Tyrosinase - Agaricus bisporus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens |Org= Hepatitis C virus |
Dis=Breast Cancer|Breast Adenocarcinoma|Ductal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Central Nervous System Cancers|Glioblastoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
3086637 |
802918-57-6 |
COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O |
SEBFKMXJBCUCAI-DBMPWETRSA-N |
482.12000 |
C25H22O10 |
-3.3761 |
3 |
5 |
155.14 |
10.0 |
35 |
5 |
|
Silybin A,B (mixture)|802918-57-6|AC1MJ6JE|CHEMBL9509|SCHEMBL14270800|MolPort-042-665-880|36804-17-8|CCH0001060|S0508|(2R,3R)-2,3-Dihydro-3,5,7-trihydroxy-2-3-(4-hydroxy-3-methoxyphenyl)-2-hydroxymethyl-2,3-dihydro-1,4-benzodioxin-6-yl-4H-1-benzopyran-4-one|(2R,3R)-2-2,3-Dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one|(2R,3R)-3,5,7-trihydroxy-2-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl-2,3-dihydrochromen-4-one|2,3-Dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-6-(3,5,7-trihydroxy-4-oxobenzopyran-2-yl)benzodioxine| |
| Bergapten |
anticancer |
Aegle marmelos|Heracleum lanatum| |
Gen=DNA/RNA Synthesis |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Melanoma|Murine Melanoma|Gen=DNA Damage |
3D viewer |
Pubchem |
|
2355 |
484-20-8 |
COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 |
QZIQJVCYUQZDIR-UHFFFAO |
216.19000 |
C12H8O4 |
2.187 |
4 |
0 |
48.70 |
1.0 |
16 |
|
Bergapten is a psoralen that can be photoactivated and is capable of crossing-linking DNA, covalently modifying proteins and lipids, and consequently inhibiting cell replication. |
N/A |
| (E)-Butylidenephthalide |
natural product |
Angelica sinensis|Cnidium officinale|Ligusticum sinense|Ligusticum jeholense|Ligusticum tenuissimum|Lonicera japonica|Radix chuanxiong|Rhizoma chuanxiong|Levisticum officinale|Poria cocos|Ligusticum chuanxiong|Angelicae sinensis radix|Ligustici rhizoma et radix|Chuanxiong rhizoma|Radix bupleuri|Angelica acutiloba|Angelica gigas |
Path=CCND1 pathway|CCNE1 pathway|CDK2 pathway|CDK4 pathway|CDK6 pathway|RB1 pathway|AIFM1 pathway|BAX pathway|CASP3 pathway|CASP8 pathway|CASP9 pathway|CDKN1A pathway|CDKN2A pathway|FAS pathway|TP53 pathway|none|NR4A1 pathway|NR4A2 pathway|GAPDH pathway|PRKCA pathway|CDKN1B pathway|BCL2 pathway|AKT1 pathway|CREB1 pathway|EIF2AK3 pathway|FOS pathway|PARP1 pathway|MAPK14 pathway|MAPK8 pathway|Alpha-glucosidase MAL62 - Saccharomyces cerevisiae | Oligo-1,6-glucosidase - Saccharomyces cerevisiae S288c |Org= Mus musculus | Drosophila melanogaster | Tyrophagus putrescentiae | Dermatophagoides farinae |
Dis=Acute Myeloid Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Breast Carcinoma|Central Nervous System Cancers|Brain Tumor|Glioblastoma|Neruoblastoma|Neuroblastoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Melanoma|Murine Melanoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Org=Mus musculus | Drosophila melanogaster | Tyrophagus putrescentiae | Dermatophagoides farinae |
3D viewer |
Pubchem |
|
5352899 |
No Cas |
CCCC=C1C2=CC=CC=C2C(=O)O1 |
WMBOCUXXNSOQHM-DHZHZOJOSA-N |
188.08000 |
C12H12O2 |
-0.0512 |
2 |
0 |
26.30 |
3.0 |
14 |
2 |
Chemical structure-activity of cnidium rhizome-derived phthalides for the competence inhibition of proliferation in primary cultures of mouse aorta smooth muscle cells.|The structure-activity relationship between synthetic butylidenephthalide derivatives regarding the competence and progression of inhibition in primary cultures proliferation of mouse aorta smooth muscle cells.|Reversal caused by n-butylidenephthalide from the deficits of inhibitory avoidance performance in rats.|Mechanisms underlying the vasorelaxing effects of butylidenephthalide, an active constituent of Ligusticum chuanxiong, in rat isolated aorta.|Inhibitory effects of ligustilide and butylidenephthalide on bFGF-stimulated proliferation of rat smooth muscle cells.|The induction of orphan nuclear receptor Nur77 expression by n-butylenephthalide as pharmaceuticals on hepatocellular carcinoma cell therapy. |
Ligusticum lactone|3-Butylidenephthalide|Butylidene phthalide|n-Butylidene phthalide|3-Butylidene-1(3H)-isobenzofuranone|Phthalide, 3-butylidene-|FEMA No. 3333|BdPh|EINECS 208-991-3|551-08-6|NSC 325307|3-Butylidene phthalide|AI3-37306|CHEMBL1765390|C12H12O2|76681-73-7|1(3H)-ISOBENZOFURANONE, 3-BUTYLIDENE-|(Z)-3-Butylidenephthalide|3-butylidene-2-benzofuran-1-one|Lingustilide|(3E)-3-butylidene-2-benzofuran-1-one|3-Butylidene-phthalide|UNII-2JL3MHX6ZE|2JL3MHX6ZE|(E)-3-Butylidenephthalide|AC1NS38K|3-Butylidenephthalide, 8CI|1(3H)-Isobenzofuranone, 3-butylidene-, (3E)-|3-Butylidenephthalide, (Z)-|SCHEMBL290483|SCHEMBL783051|DTXSID9060281|FEMA 3333|WMBOCUXXNSOQHM-DHZHZOJOSA-N|ZINC1850029|BDBM50341204|MFCD00047319|(3E)-3-butylideneisobenzofuran-1-one|AKOS032948974|FCH1117766|FCH3751548|FCH4488955|LS-2600|4CN-2849|CJ-30435|N2583|Y0142|1(3H)-Isobenzofuranone,3-butylidene-,(3E)-|C-52937|(3E)-3-butylidene-1,3-dihydro-2-benzofuran-1-one|I14-56102|UNII-2JL3MHX6ZE component WMBOCUXXNSOQHM-DHZHZOJOSA-N|UNII-S9178G4B3F component WMBOCUXXNSOQHM-DHZHZOJOSA-N| |
| Cynaropicrin |
natural product |
Saussurea lappa|Streptomyces roseoverticillatus|Cynara cardunculus|Centaurea kotschyi|Aucklandia lappa|Cladonia impexa|Cynara scolymus|Archidendron ellipticum|Himalaiella deltoidea|Acrisione denticulata|Streptomyces purpurogeneiscleroticus|Calycotome villosa|Phlojodicarpus sibiricus|Preussia aemulans|Ganoderma lucidum|Trachelospermum asiaticum|Sanicula epipactis|Colladonia triquetra|Bulbinella floribunda|Paracoccus denitrificans|Rhizoctonia repens|Caryocar villosum|Ceanothus papillosus|Achillea biebersteinii|Senecio heliopsis|Blumea eriantha|Dytiscus marginalis|Lactarius sanguifluus|Taxus drupacea|Glochidion philippicum|Cladosporium cucumerinum|Anvillea garcinii|Saussurea pulchella|Lemna minor|Lachnosiphonium niloticum|Cucurbita moschata|Codium dwarkense|Chiton tuberculatus|Diplazium esculentum|Psorothamnus spinosus|Euonymus laxiflorus|Zanthoxylum acutifolium|Pithecellobium racemosum|Hemisteptia lyrata|Ocimum gratissimum|Palaquium canaliculatum|Ongokea gore|Tabernaemontana divaricata|Ceriops decandra|Dalbergia ecastaphyllum|Scorzonera radiata|Physalis sordida|Euphorbia formosana|Pyxine coccifera|Solidago petiolaris|Sarcophyton buitendijki|Scopolia atropoides|Garcinia pedunculata|Ilex brevicuspis|Cymbastela coralliophila|Merendera sobolifera|Myoporum platycarpum|Phlojodicarpus villosus|Taonia australasica|Agave tequilana|Cipadessa fruticosa|Berberis orthobotrys|Zaluzania grayana|Emericellopsis salmosynnemata|Shorea robusta|Littorina littorea|Candelaria concolor|Baccharis dracunculifolia|Amberboa muricata |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase - Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) | UDP-N-acetylglucosamine 1-carboxyvinyltransferase - Escherichia coli K-12 |Org= Trypanosoma brucei rhodesiense | Trogoderma granarium | Sitophilus granarius | Tribolium confusum |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|leukocyte cancer|Org=Trypanosoma brucei rhodesiense | Trogoderma granarium | Sitophilus granarius | Tribolium confusum |
3D viewer |
Pubchem |
|
119093 |
35730-78-0 |
C=C1CC(C2C(C3C1CC(C3=C)O)OC(=O)C2=C)OC(=O)C(=C)CO |
KHSCYOFDKADJDJ-NQLMQOPMSA-N |
346.14000 |
C19H22O6 |
0.7485 |
6 |
2 |
93.06 |
6.0 |
25 |
3 |
Inhibitory effect of sesquiterpene lactones from Saussurea lappa on tumor necrosis factor-alpha production in murine macrophage-like cells.|Cynaropicrin, a sesquiterpene lactone, as a new strong regulator of CD29 and CD98 functions.|Sesquiterpene lactones are potent and irreversible inhibitors of the antibacterial target enzyme MurA.|Cynaropicrin: the first plant natural product with in vivo activity against Trypanosoma brucei.|Mild oxidative stress induces S-glutathionylation of STAT3 and enhances chemosensitivity of tumoural cells to chemotherapeutic drugs.|Antitrypanosomal structure-activity-relationship study of synthetic cynaropicrin derivatives. |
Cynaropicrin|35730-78-0|aguerin|CHEBI:4038|CHEMBL374146|UNII-M9233789I9|M9233789I9|(3aR,4S,6aR,8S,9aR,9bR)-8-hydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno4,5-bfuran-4-yl 2-(hydroxymethyl)prop-2-enoate|AC1L3O6W|AC1Q69JD|MEGxp0_001095|SCHEMBL1711811|ACon1_000045|MolPort-001-741-258|HY-N2350|ZINC4098049|BDBM50194430|AKOS032971358|CS-8041|MCULE-5051144608|NCGC00168845-01|NCGC00168845-02|2-Propenoic acid, 2-(hydroxymethyl)-, (3aR,4S,6aR,8S,9aR,9bR)-dodecahydro-8-hydroxy-3,6,9-tris(methylene)-2-oxoazuleno(4,5-b)furan-4-yl ester|C09385|F10234|BRD-K51428447-001-01-5|2-Propenoic acid, 2-(hydroxymethyl)-, dodecahydro-8-hydroxy-3,6,9-tris(methylene)-2-oxoazuleno(4,5-b)furan-4-yl ester, (3aR-(3aalpha,4alpha,6aalpha,8beta,9aalpha,9bbeta))-| |
| n.a. |
natural product |
Tanacetum parthenium|Tsuga sieboldii|Lactarius blennius|Sinularia erecta|Silene dioica|Mollugo pentaphylla|Paederia foetida|Dolichos kilimandscharicus|Tuta absoluta|Artemisia phaeolepis|Laurencia dendroidea|Naucleopsis mello-barretoi|Casuarina equisetifolia |
Path=MLL pathway|MAPK14 pathway|Gen=HDAC,NF-?B,Mdm2,p53|Aldehyde dehydrogenase 1A1 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Parathyroid hormone receptor - Homo sapiens | Vitamin D receptor - Homo sapiens | Ferritin light chain - Equus caballus | Regulator of G-protein signaling 4 - Homo sapiens | Geminin - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|pre-B leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Medulloblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Melanoma|malignant melanoma|Skin Cancer|Epithelial cell carcinoma|Small Cell Lung Cancer|Small Cell Lung Carcinoma|Gen=NF-?B |
3D viewer |
Pubchem |
|
7251185 |
20554-84-1 |
CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C |
KTEXNACQROZXEV-PVLRGYAZSA-N |
248.14000 |
C15H20O3 |
1.7578 |
3 |
0 |
38.83 |
2.0 |
18 |
3 |
A comparison of the effects of an extract of feverfew and parthenolide, a component of feverfew, on human platelet activity in-vitro.|Inhibition of the expression of inducible cyclooxygenase and proinflammatory cytokines by sesquiterpene lactones in macrophages correlates with the inhibition of MAP kinases.|Rabbit cerebral cortex 5HT1a receptors.|Antimycobacterial evaluation of germacranolides.|Sesquiterpene lactones inhibit inducible nitric oxide synthase gene expression in cultured rat aortic smooth muscle cells.|Sesquiterpene lactones with potential use as natural herbicide models (I): trans,trans-germacranolides. |
parthenolide|20554-84-1|(-)-Parthenolide|CHEBI:7939|Parthenolide, Tanacetum parthenium|4,5-alpha-Epoxy-6-beta-hydroxygermacra-1(10),11(13)-dien-12-oic acid gamma-lactone|partenolide|C15H20O3|29552-41-8|Oxireno9,10cyclodeca1,2-bfuran-9(1aH)-one, 2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methylene-, (1aR,4E,7aS,10aS,10bR)-|Prestwick2_000550|Prestwick3_000550|Epitope ID:115014|SCHEMBL8220|BSPBio_000599|BSPBio_001308|MLS002153872|BPBio1_000659|CHEMBL465158|SCHEMBL13367522|BCBcMAP01_000041|Parthenolide, >=98% (HPLC)|MolPort-003-959-089|MolPort-008-268-168|HMS1361B10|HMS1569N21|HMS1791B10|HMS1989B10|HMS2096N21|HMS3402B10|HMS3713N21|BCP10404|HY-N0141|ZINC4492886|MFCD00134592|AKOS016010226|CCG-208244|CS-1919|IDI1_033778|NCGC00163415-01|AJ-51217|AK114992|AS-17479|SMR001233226|AB0019832|AB00513860|ST24048874|V0355|X-1866|552P418|Q-100253|Parthenolide, United States Pharmacopeia (USP) Reference Standard|(1aR,4E,7aS,10aS,10bR)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno9,10cyclodeca1,2-bfuran-9(1aH)-one|(3aS,10R,11R,11aS,6E)-3-Methylene-6,10-dimethyl-10,11-epoxy-1-oxa-2,3,3a,4,5,8,9,10,11,11a-decahydro-1H-cyclopentacyclodecene-2-one| |
| 2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxychroman-3-Yl 3,4,5-Trihydroxybenzoate |
natural product |
Diospyros kaki|Prunus persica|Rheum officinale|Rheum palmatum|Rheum tanguticum|Camellia sinensis|Crataegus pinnatifida|Cynomorium songaricum|Nelumbo nucifera|Rheum coreanum |
Path=ODC1 pathway |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Gen=Others |
3D viewer |
Pubchem |
|
367141 |
No Cas |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
LSHVYAFMTMFKBA-UHFFFAOYSA-N |
442.09000 |
C22H18O10 |
-3.5057 |
2 |
7 |
177.14 |
11.0 |
32 |
4 |
The effects of phenolic components of tea on the production of pro- and anti-inflammatory cytokines by human leukocytes in vitro.|Structural features of procyanidin interactions with salivary proteins.|Growth suppression of hamster flank organs by topical application of catechins, alizarin, curcumin, and myristoleic acid.|Prolyl endopeptidase inhibitors from green tea.|Inhibitory effect of epigallocatechin gallate on adhesion of murine melanoma cells to laminin.|Simplified catechin-gallate inhibitors of HIV-1 reverse transcriptase. |
(-)-epicatechingallate|3-Galloylcatechin|CHEMBL328085|AK-33045|(-)-CATECHINGALLATE|A1-01906|NSC636594|AC1L7UAP|ECG (CG)|SCHEMBL39046|(-) CATECHIN GALLATE|(-)EPICATECHIN GALLATE|AC1Q625Q|Jsp001659|KS-00000GUG|3,4,5-Trihydroxy-benzoic acid 2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester|MolPort-009-198-789|BDBM50105591|AKOS015895273|NSC-636594|TRA0091949|AN-32350|SC-95618|FT-0604390|I06-0771|I14-13373|2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl 3,4,5-trihydroxybenzoate|2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl 3,4,5-trihydroxybenzoate|2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate|2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate| |
| Holacurtine |
natural product |
Holarrhena curtisii |
Org=Leishmania donovani |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Org=Leishmania donovani |
3D viewer |
Pubchem |
|
10390928 |
17934-63-3 |
CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C(=O)C)O)C)C)OC)NC |
VPLNNEMLBWLRFQ-LRGQOBMHSA-N |
491.36000 |
C29H49NO5 |
-0.8597 |
6 |
2 |
77.02 |
12.0 |
35 |
5 |
|
|
| Methyl (9Z,12Z)-Octadeca-9,12-Dienoate |
natural product |
Aegle marmelos|Suillellus luridus|Sphacelaria arctica|Radix cirsii japonici|Cnidium officinale|Scrophularia buergeriana|Centaurea dealbata|Campsis flos|Cynomorium songaricum|Austrobaileya scandens|Castanea dentata|Coicis semen|Euphorbia hirta|Sphaerella rubella|Salvia divaricata|Magnolia officinalis rehd et wils|Houttuynia cordata|Elaeodendron buchananii|Citri grandis exocarpium|Illicium verum|Amomum sulcatum|Canarii fructus|Leonurus japonicus|Virola pavonis|Codonopsis pilosula|Lonicerae japonicae flos|Ligusticum sinense|Hosta undulata|Neolitsea daibuensis|Chuanxiong rhizoma|Linum usitatissimum|Euphorbia jaxartica|Ligusticum chuanxiong|Radix clematidis|Lithospermum erythrorhizon|Rapanea neurophylla|Dolichos lablab|Asteris radix et rhizoma|Murraya exotica|Murraya paniculata|Bosistoa floydii|Veronica intercedens|Semen firmianae|Ostrya carpinifolia|Hammarbya paludosa|Elaphoglossum lindbergii|Mahoniae folum|Panax ginseng|Trichocline reptans|Phytophthora cactorum|Broussonetiae fructus|Polygala sibirica|Caiman crocodilus|Stephania delavayi|Ginkgo biloba|Aconitum kusnezoffii reichb|Polygala tenuifolia|Periconia atropurpurea|Pistacia atlantica|Platycladi cacumen|Sraitia grosvenorii|Rogeria adenophylla|Hedysarum sachalinense|Sterculiae lychnophorae semen|Zingiber officinale|Malva rotundifolia|Micromelum integerrimum|Mori cortex|Inocybe patouillardii|Trifolium hybridum|Leucocarpus perfoliatus|Agrimonia pilosa|Morus alba|Hypotrachyna neodamaziana|Plakortis lita|Dendrobium tosaense|Akebia quinata|Lycopus lucidus|Stephania dielsiana|Fadogia agrestis|Streptocarpus dunnii|Akebia trifoliata|Aconitum subcuneatum|Stemodia maritima|Sarcomelicope follicularis|Rhododendri daurici folium|Andrographis paniculata|Chaenomeles sinensis|Cortinarius bulbiger|Coelospermum paniculatum|Angelica acutiloba|Radix codonopsis pilosulae|Inocybe aeruginascens|Papaver glaucum|Crotonis fructus|Angelica gigas|Aconitum leucostomum|Hypselodoris capensis|Aconitum variegatum|Codonopsis radix|Lobophora variegata|Sarcophyton latum|Helianthella quinquenervis|Litchi chinensis|Schlumbergera truncata|Microdochium nivale|Streptomyces prunicolor|Lactarius necator|Raphani semen|Angelica sinensis|Pentaceraster regulus|Yucca filifera|Penicillium sclerotigenum|Amygdalus communis vas|Arnebia euchroma|Cheilanthes fragrans|Garcinia celebica|Ibacus peronii|Farfarae flos|Arnebia guttata|Euphorbia supina|Gypsophila oldhamiana|Trichosanthes kirilowii maxim|Saussurea costus|Penicillium abidjanum|Tachardia acaciae|Arisaematis rhizoma|Quercus laurifolia|Ferula ammoniacum|Cassia artemisioides|Allii fistulost bulbus|Citrus maxima|Uvaria narum |
Androgen Receptor - Homo sapiens |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia |
3D viewer |
Pubchem |
|
5284421 |
112-63-0 |
CCCCCC=CCC=CCCCCCCCC(=O)OC |
WTTJVINHCBCLGX-NQLNTKRDSA-N |
294.26000 |
C19H34O2 |
-0.6975 |
2 |
0 |
26.30 |
17.0 |
21 |
0 |
Antioxidant activities of probucol against lipid peroxidations.|[Interactions of fats and proteins of meat. 1. Dynamics of fat oxidation and quantitative determination of protein-fat complexes].|Reactions of proteins with oxidizing lipids. 1. Analytical measurements of lipid oxidation and of amino acid losses in a whey protein-methyl linolenate model system.|Comparative studies on the effects of linoleate and methyl linoleate and their hydroperoxides on the respiration and reactivities of rat heart mitochondria.|Lipid peroxidation products mediate damage of superoxide dismutase.|Antioxidant activity of a novel vitamin E derivative, 2-(alpha-D glucopyranosyl)methyl-2,5,7,8-tetramethylchroman-6-ol. |
112-63-0|METHYL LINOLEATE|Linoleic acid methyl ester|Methyl lineoleate|methyl (9Z,12Z)-octadeca-9,12-dienoate|Methyl octadecadienoate|Methyl 9-cis,12-cis-octadecadienoate|Linoleic acid,methyl ester|Linoleic acid, methyl ester|Methyl linoleate, native|9,12-Octadecadienoic acid (Z,Z)-, methyl ester|FEMA No. 3411|UNII-24N6726DE5|9,12-Octadecadienoic acid (9Z,12Z)-, methyl ester|EINECS 203-993-0|NSC 93981|Methyl cis,cis-9,12-octadecadienoate|9,12-Octadecadienoic acid, methyl ester|cis-Linoleic acid methyl ester|AI3-03520|CHEBI:69080|(9Z,12Z)-Methyl octadeca-9,12-dienoate|WTTJVINHCBCLGX-NQLNTKRDSA-N|Linoleic acid, methyl ester (8CI)|MFCD00009534|Methyl (Z,Z)-9,12-octadecadienoate|24N6726DE5|Methyl linoleate, 99%|DSSTox_CID_843|(Z,Z)-9,12-octadecadienoic acid methyl ester|cis-9,cis-12-Octadecadienoic acid methyl ester|DSSTox_RID_75822|9,12-Octadecadienoic acid, methyl ester, (Z,Z)|cis-9,cis-12-Octadecadienoic acid, methyl ester|DSSTox_GSID_20843|9,12-Octadecadienoic acid, methyl ester, (Z,Z)-|Methyl octadeca-9,12-dienoate|CAS-112-63-0|Methyl linolate|68605-14-1|Natural methyl linoleate|Methyl linoleate, 60%|Methyl linoleate, 95%|linoleic acid-methyl ester|AC1NR4F7|SCHEMBL56345|CHEMBL3183866|DTXSID7020843|MolPort-001-785-547|Methyl linoleate, >=99% (GC)|Methyl (Z,Z)-9,12-octadienoate|ZINC4501378|Tox21_201403|Tox21_302917|Fatty acids,safflower-oil, Me esters|Methyl linoleate, analytical standard|AKOS025310767|LS-7503|MCULE-1089286417|Methyl cis,cis-9, 12-octadecadienoate|1-O-methyl (9Z,12Z)-octadecadienoate|NCGC00164324-01|NCGC00164324-02|NCGC00256520-01|NCGC00258954-01|CC-29965|SC-25050|Methyl (9Z,12Z)-9,12-octadecadienoate|DB-041105|(9Z,12Z)-Octadecadienoic acid methyl ester|L0078|Methyl (9Z,12Z)-9,12-octadecadienoate #|S0325|Methyl ester(Z,Z)-9,12-Octadecadienoic acid|Octadecadienoic acid methyl ester, 9,12-(Z,Z)-|(9Z,12Z)-octadeca-9,12-dienoic acid methyl ester|9,12-Octadecadienoicacid (9Z,12Z)-, methyl ester|J-002803|methyl linoleate (48%) methyl linolenate (52%) mixture|UNII-808DL597QP component WTTJVINHCBCLGX-NQLNTKRDSA-N|UNII-92396UOJ5Z component WTTJVINHCBCLGX-NQLNTKRDSA-N|UNII-XKM7K18LTH component WTTJVINHCBCLGX-NQLNTKRDSA-N|B7102443-24B7-4351-A24E-6617B1268CA6|Methyl linoleate, United States Pharmacopeia (USP) Reference Standard|1198018-53-9| |
| Schirubridilactone C |
natural product |
Schisandra grandiflora |
Org=Human immunodeficiency virus 1 |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Org=Human immunodeficiency virus 1 |
3D viewer |
Pubchem |
|
46186628 |
No Cas |
CC1CC2(C3C(C(=O)C4(C3C5(O2)C(=O)C6(CCC7C(OC8C7(CC6(O5)CC4)OC(=O)C8)(C)CO)O)C)C)OC1=O |
KWZAQNBIRDZLHQ-AIIWDFQCSA-N |
560.23000 |
C29H36O11 |
-1.3943 |
11 |
2 |
154.89 |
7.0 |
40 |
8 |
|
|
| Sansevistatin 1 |
natural product |
Sansevieria ehrenbergii |
Org=Filobasidiella neoformans | Candida albicans |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|large cell carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|prostate Carcinoma|Org=Filobasidiella neoformans | Candida albicans |
3D viewer |
Pubchem |
|
11263018 |
No Cas |
CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC19CCC(=C)CO9 |
DFNXUPWTNVNPER-BXOFZLJISA-N |
866.47000 |
C45H70O16 |
-3.7783 |
16 |
8 |
235.68 |
20.0 |
61 |
9 |
|
|
| Thorectandrol A |
natural product |
Thorectandra spp|thorectandra sp. |
|
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Kidney Cancer|Renal Cell Adenocarcinoma|Melanoma|malignant melanoma|Non-small Cell Lung Cancer|large cell carcinoma|Lung Epithelial Carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |
3D viewer |
Pubchem |
|
5352106 |
No Cas |
CC1CCC2(C(C1(C)CCC(=CCC3C(=CC(=O)O3)CO)C)CCCC2=C)C |
QQKDQHJTKIBERS-OGXBFCNVSA-N |
386.28000 |
C25H38O3 |
2.2767 |
3 |
1 |
46.53 |
11.0 |
28 |
3 |
|
|
| (2S,3S)-2-(3,4,5-Trihydroxy-Phenyl)-Chroman-3,5,7-Triol |
natural product |
Diospyros kaki|Myrica rubra|green tea|Paeonia albiflora|Senegalia catechu|Apocynum venetum|Crataegus pinnatifida|Ginkgo biloba|Hypericum perforatum|Morus alba|Solanum nigrum|Spatholobus suberectus|Caulis millettiae|Caulis spatholobi|Citrus wilsonii|Cynanchum chinense|Paeonia lactiflora|Radix paeoniae rubra|Xanthoceras sorbifolium|Drynaria fortunei |
Path=ODC1 pathway |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Basophilic Leukemia|Gen=Others |
3D viewer |
Pubchem |
1JNQ |
10425234 |
No Cas |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O |
XMOCLSLCDHWDHP-WFASDCNBSA-N |
306.07000 |
C15H14O7 |
-2.9543 |
1 |
6 |
130.61 |
7.0 |
22 |
3 |
|
(+)-epigallocatechin|(+)-epi-gallocatechin|CHEMBL130415|CHEBI:71227|(2S,3S)-flavan-3,3',4',5,5',7-hexol|(2S,3S)-flavan-3,5,7,3',4',5'-hexol|(+)-cis-3,3',4',5,5',7-hexahydroxyflavane|(2S,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol|(+)-cis-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol|(2S,3S)-(+)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol|(2S,3S)-epigallocatechin|(2S,3R)-2-(3,4,5-Trihydroxyphenyl)-chroman-3,5,7-triol|SCHEMBL1972938|ACon1_000192|MolPort-001-740-311|ZINC3870339|BDBM50135171|MCULE-9338438267|NCGC00180795-01|3BC1BF1C-D95B-4EB2-943E-C1F59C7501A0|(2S,3S)-2-(3,4,5-Trihydroxy-phenyl)-chroman-3,5,7-triol|NCGC00180795-02!(2S,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol| |
| Rs-Goitrin |
natural product |
Isatis indigotica |
Dopamine beta-hydroxylase - Bos taurus |Org= Rattus norvegicus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Org=Rattus norvegicus |
3D viewer |
Pubchem |
|
3034683 |
13190-34-6 |
C=CC1CNC(=S)O1 |
UZQVYLOFLQICCT-UHFFFAOYSA-N |
129.02000 |
C5H7NOS |
1.541 |
2 |
0 |
60.39 |
2.0 |
8 |
1 |
Nutritional value of processed rapeseed meal.|Inhibition of dopamine beta-hydroxylase by goitrin, a natural antithyroid compound.|Biochemical changes in layer and broiler chickens when fed on a high-glucosinolate rapeseed meal.|Comparative effects of semisynthetic D-5-vinyl-2-thiooxazolidone and water-extracted rapeseed meal in the rat.|Modulation of glutathione S-transferase activity and isozyme pattern in liver and small intestine of rats fed goitrin- and T3-supplemented diets.|Effect of soybean variety on anti-nutritional factors content, and growth performance and nutrients metabolism in rat. |
DL-Goitrin|Goitrin|13190-34-6|5-Vinyloxazolidine-2-thione|2-Oxazolidinethione, 5-ethenyl-|5-Ethenyl-2-oxazolidinethione|EINECS 236-145-3|5-vinyl-2-thiooxazolidone|( -)-Goitrin|(+-)-Goitrin|5-vinyloxazolidin-2-thione|2-Oxazolidinethione, 5-vinyl-, DL-|( R, S )-Goitrin|AC1MHY0S|5-vinyl-oxazolidine-2-thione|SCHEMBL340219|CHEMBL508652|CTK8F9293|DTXSID10274235|MolPort-006-120-156|UZQVYLOFLQICCT-UHFFFAOYSA-N|5-vinyl-4,5-dihydrooxazol-2-thiol|5-ethenyl-1,3-oxazolidine-2-thione|AKOS025402176|5-Vinyl-1,3-oxazolidine-2-thione #|AC-6038|13997-13-2|LS-172811|FT-0625466|5-ethenyl-4,5-dihydro-1,3-oxazole-2-thiol|J-006081|500-12-9 (L)| |
| Myricitrin |
bioactive compound |
Myrica rubra|Austrocedrus chilensis|Eria pubescens|Lespedeza bicolor|Polygonum aviculare|Psoroma pallidum|Sorbaria sorbifolia|Marine actinobacterium|Persicaria orientalis|Piptocarpha oblonga|Oophaga pumilio|Toxicodendron succedaneum|Inula salicifolia|Acanthospermum glabratum|Catunaregam spinosa|Heliotropium ternatum|Solidago serotina|Capnoides sempervirens|Alyxia reinwardtii|Angelica lucida|Machilus macrantha|Senecio carthamoides|Aconitum heterophylloides|Strophanthus kombe|Haloxylon recurvum|Ajuga genevensis|Morus alba|Rhododendron ellipticum|Xylaria cubensis|Burkholderia gladioli|Sargassum muticum|Penicillium herquei|Dermocybe canaria|Aplysia parvula|Hippocratea excelsa|Curvularia coicis|Araliopsis soyauxii|Rhododendron luteum|Microtropis fokienensis|Limonium sinense|Bitis gabonica|Artemisia klotzchiana|Thymus vulgaris|Astragalus cibarius|Serratula inermis|Oscillochloris trichoides|Vitellaria paradoxa|Ranunculus fluitans|Celaenodendron mexicanum|Castanea vesca|Bunias orientalis|Sesbania bispinosa|Streptomyces thermoviolaceus|Trididemnum cyclops|Ephedra equisetina|Cyrtomium falcatum|Nymphaea odorata|Boronia pinnata|Chromodoris lochi|Rhododendron farrerae|Macrothele gigas|Amyris texana|Streptomyces sparsogenes|Cladosiphon decipiens|Annona ambotay|Goniothalamus amuyon|Myrocarpus frondosus|Trichosanthes rosthornii|Daphniphyllum paxianum|Hymenoxys insignis|Elymus repens|Adina sessilifolia|Alangium grisolleoides|Litsea triflora|Ilex lepta|Vernonia menthaefolia|Annella reticulata|Carica pennata|Cotula cinerea|Astraeus pteridis|Myrica cerifera|Limonium gmelinii|Globularia davisiana|Brevibacterium linens|Hylotelephium telephium|Aspergillus panamensis|Veratrum dahuricum|Zephyranthes sulphurea|Tarenaya spinosa|Centaurea linifolia|Micarea austroternaria|Cryptotaenia japonica|Cryptocarya alba|Cleistanthus indochinensis|Nerine bowdenii|Uvaria griffithii|Cneoridium dumosum|Tridachia crispata|Pseudodistoma arborescens|Ardisiae japonicae herba|Arum alpinum|Pongamiopsis pervilleana|Veronica arvensis|Platycladi cacumen|Pinguicula vulgaris|Zanthoxylum fagara|Glochidion sphaerogynum|Polygoni avicularis herba|Holomelina lamae|Mimusops caffra|Gardenia turgida|Euphorbia hirta|byrsonima coccolobifolia|Cephalanthus occidentalis|Portulaca oleracea|Polygonum orientale| |
Gen=PKC|DNA polymerase beta - Homo sapiens | Muscleblind-like protein 1 - Homo sapiens | Zinc finger protein mex-5 - Caenorhabditis elegans | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Cytoplasmic zinc-finger protein - Caenorhabditis elegans | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Microtubule-associated protein tau - Homo sapiens | DNA polymerase kappa - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | Flap endonuclease 1 - Homo sapiens | Mannose-6-phosphate isomerase - Homo sapiens | Lysosomal alpha-glucosidase - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Ataxin-2 - Homo sapiens | Serine/threonine-protein kinase PLK1 - Homo sapiens | DNA polymerase eta - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | DNA polymerase iota - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Rap guanine nucleotide exchange factor 3 - Homo sapiens | Protein disulfide-isomerase - Homo sapiens |Org= Plasmodium falciparum|Arginase - Leishmania amazonensis|Cholinesterase - Equus caballus | Acetylcholinesterase - Electrophorus electricus |Org= Heliothis virescens| Glutaminase kidney isoform, mitochondrial - Homo sapiens | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 - Homo sapiens | Lysine-specific demethylase 4A - Homo sapiens | Lethal(3)malignant brain tumor-like protein 1 - Homo sapiens | |
Dis=Acute Myeloid Leukemia|Basophilic Leukemia|Gen=TGF-beta/Smad |
3D viewer |
Pubchem |
|
5281673 |
17912-87-7 |
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O |
DCYOADKBABEMIQ-UHFFFAOYSA-N |
464.38000 |
C21H20O12 |
0.347 |
4 |
8 |
207.00 |
3.0 |
33 |
4 |
Myricitrin, a flavonoid compound isolated from the root bark of Myrica cerifera, which exerts antinociceptive effects. |
Myricitrine |
| Gnidilatidin |
natural product |
Daphne genkwa|Cynoglossum formosanum|Acer caudatifolium|Baccharis macraei|Trametes feei|Daphne odora|Rumohra adiantiformis|Mikania goyazensis|Serratula strangulata|Lecanora stenotropa|Marshallia graminifolia|Vernonia megapotamica|Aconitum heterophyllum|Grateloupia livida|Eupatorium buniifolium|Spongia communis|Eugenia sandwicensis|Globicephala melas|Auricularia auricula-judae|Lindera glauca|Verbascum salviifolium|Astragalus sinicus|Salacia cordata|Oxytropis ochrocephala|Nummularia discreta|Abies chensiensis|Chrysanthemum leptophyllum|Aspergillus citricus |
Path=BCL2 pathway|BCL2L1 pathway|BAX pathway| |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Non-small Cell Lung Cancer|Lewis Lung carcinoma |Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
5358691 |
60195-70-2 |
CCCCCC=CC=CC12OC3C4C5C(O5)(C(C6(C(C4(O1)C(C(C3(O2)C(=C)C)OC(=O)C7=CC=CC=C7)C)C=C(C6=O)C)O)O)CO |
CGSGRJNIABXQJQ-NSCQCFIPSA-N |
648.29000 |
C37H44O10 |
-0.6528 |
10 |
3 |
144.28 |
18.0 |
47 |
7 |
In vitro inhibitory effects of Daphne oleoides ssp. oleoides on inflammatory cytokines and activity-guided isolation of active constituents.|Melanogenesis inhibitory daphnane diterpenoids from the flower buds of Daphne genkwa. |
|
| Dalrubone |
natural product |
Psorothamnus emoryi|Psorothamnus polydenius|Psorothamnus junceus |
Org=Trypanosoma brucei brucei | Leishmania mexicana | Leishmania donovani |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Org=Trypanosoma brucei brucei | Leishmania mexicana | Leishmania donovani |
3D viewer |
Pubchem |
|
10380681 |
56015-02-2 |
CC1=C(C(=C2C=CC3=CC=CC=C3O2)C(=O)C(C1=O)(C)C)OC |
QYSRVJCZEMMWKO-CCEZHUSRSA-N |
310.12000 |
C19H18O4 |
0.9413 |
3 |
0 |
52.60 |
5.0 |
23 |
3 |
Bioactive compounds from Psorothamnus junceus. |
|
| Hyperforin |
natural product |
Hypericum perforatum|Hypericum henryi|Forsythiae fructus|Sophorae flavescentis radix|Apocynum venetum|CASP9 pathway|ABCB5 pathway|BCL2 pathway|CDKN1B pathway|MCL1 pathway|NOS2 pathway|PARP1 pathway|Serotonin transporter - Rattus norvegicus | Survival motor neuron protein - Homo sapiens | Inositol monophosphatase 1 - Rattus norvegicus | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Pregnane X receptor - Homo sapiens | Ferritin light chain - Equus caballus | 78 kDa glucose-regulated protein - Homo sapiens |
Path=MMP2 pathway|CASP3 pathway|CASP8 pathway|CASP9 pathway|CASP3 pathway|ABCB5 pathway|BCL2 pathway|CDKN1B pathway|MCL1 pathway|NOS2 pathway|PARP1 pathway|Serotonin transporter - Rattus norvegicus | Survival motor neuron protein - Homo sapiens | Inositol monophosphatase 1 - Rattus norvegicus | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Pregnane X receptor - Homo sapiens | Ferritin light chain - Equus caballus | 78 kDa glucose-regulated protein - Homo sapiens |
Dis=Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Chronic Myelogenous Leukemia|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Acute Lymphoblastic Leukemia|Acute T cell leukemia |Breast Cancer|Colorectal Cancer|Colorectal Adenocarcinoma|Melanoma|malignant melanoma|Chronic Lymphocytic Leukemia|Ovarian Cancer|Epithelial Ovarian Cancer |Skin Cancer|Skin Epidermoid Carcinoma |
3D viewer |
Pubchem |
|
441298 |
11079-53-1 |
CC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C |
KGSZHKRKHXOAMG-HQKKAZOISA-N |
536.39000 |
C35H52O4 |
6.4473 |
4 |
1 |
71.44 |
23.0 |
39 |
2 |
Hyperforin represents the neurotransmitter reuptake inhibiting constituent of hypericum extract.|Hyperforin as a possible antidepressant component of hypericum extracts.|Hyperforin, a major antidepressant constituent of St. John's Wort, inhibits serotonin uptake by elevating free intracellular Na+1.|Adhyperforin as a contributor to the effect of Hypericum perforatum L. in biochemical models of antidepressant activity.|Regulation of multidrug resistance-associated protein 2 (ABCC2) by the nuclear receptors pregnane X receptor, farnesoid X-activated receptor, and constitutive androstane receptor.|Inhibition of vesicular uptake of monoamines by hyperforin. |
hyperforin|11079-53-1|hiperforina|hyperforine|UNII-RM741E34FP|CHEBI:5834|RM741E34FP|CHEMBL1237210|(1R,5S,6R,7S)-4-hydroxy-6-methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)bicyclo3.3.1non-3-ene-2,9-dione|(1R,5S,6R,7S)-4-hydroxy-5-isobutyryl-6-methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)bicyclo3.3.1non-3-ene-2,9-dione|HSDB 7646|(+)-Hyperforin|Spectrum5_002025|SCHEMBL98723|CHEMBL501711|GTPL2764|Hyperforin, >=85% (HPLC)|SCHEMBL15557965|IWBJJCOKGLUQIZ-HQKKAZOISA-N|KGSZHKRKHXOAMG-HQKKAZOISA-N|BCP06690|Bicyclo3.3.1non-3-ene-2,9-dione, 4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxopropyl)-6-(4-methyl-3-penten-1-yl)-, (1R,5S,6R,7S)-|Bicyclo3.3.1non-3-ene-2,9-dione,4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxopropyl)-6-(4-methyl-3-penten-1-yl)-,(1R,5S,6R,7S)-|ZINC4097413|1791AH|BDBM50193079|MFCD01861497|PDSP2_001346|ZINC100076763|DB01892|NCGC00163120-01|FT-0627168|C07608|Q-100063| |
| n.a. |
natural product |
Artemisia annua|Artemisia apiacea |
Path=MMP2 pathway|CDK2 pathway|CDK4 pathway|RB1 pathway|SP1 pathway|Gen=Anti-infection|Org=Plasmodium falciparum 3D7 | Plasmodium falciparum | Plasmodium berghei | Plasmodium falciparum (isolate K1 / Thailand) | Plasmodium falciparum D6|Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | TAR DNA-binding protein 43 - Homo sapiens | Nonstructural protein 1 - Influenza A virus | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis |Org= Plasmodium falciparum |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Melanoma|malignant melanoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=Microbiology |
3D viewer |
Pubchem |
|
2240 |
GNF-PF-5671 |
CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)C |
BLUAFEHZUWYNDE-UHFFFAOYSA-N |
282.15000 |
C15H22O5 |
0.8012 |
5 |
0 |
53.99 |
3.0 |
20 |
3 |
Susceptibility of African isolates of Plasmodium falciparum to artemisinin (qinghaosu).|Selenium and sulfur in antioxidant protective systems: relationships with vitamin E and malaria.|In vitro and clinical correlates of mefloquine resistance of Plasmodium falciparum in eastern Thailand.|The potentiating action of tetrandrine in combination with chloroquine or qinghaosu against chloroquine-sensitive and resistant falciparum malaria.|Evidence that the antimalarial activity of artemisinin is not mediated via intercalation with nucleotides.|Effect of artemisinin (qinghaosu) and chloroquine on drug-sensitive and drug-resistant strains of Plasmodium falciparum malaria: use of [2,8-3H]adenosine as an alternative to [G-3H]hypoxanthine in the assessment of in vitro antimalarial activity. |
artemisinin|63968-64-9|Artemisinine|Arteannuin|GNF-PF-5671|3,6,9-trimethyloctahydro-3,12-epoxy1,2dioxepino4,3-iisochromen-10(3H)-one|(+)-Arteannuin|SR-01000783029|TNP00107|NSC369397|AC1L1D8I|AC1Q6O6P|KSC620G1T|MLS001195096|CHEMBL345083|SCHEMBL8011257|CTK5C0319|BLUAFEHZUWYNDE-UHFFFAOYSA-N|MolPort-002-692-529|HMS1607A03|HMS2864N18|ANW-43519|AKOS001483011|API0001541|MCULE-8507299188|NSC-369397|RTR-031397|NCGC00017227-02|NCGC00142461-01|AN-14314|SC-18357|SMR000554414|ST056292|FT-0602875|I06-0006|SR-01000783029-3|SR-01000783029-5|A0854/0040033|1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo10.3.1.0<4,13>.0<8,13>hexadeca n-10-one|1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo10.3.1.0~4,13~.0~8,13~hexadecan-10-one|11,14,15,16-Tetraoxatetracyclo10.3.1.0(4,13).0(8,13)hexadecan-10-one, 1,5,9-trimethyl-| |
| 15-Acetylirciformonin B |
natural product |
Ircinia spp |
|
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma |
3D viewer |
Pubchem |
|
54669794 |
No Cas |
CC(=CC(CC(=CCCC1=COC=C1)C)O)CCC(C2(CCC(=O)O2)C)OC(=O)C |
QBMTWQFCLDXOKN-PRBWFTGVSA-N |
418.24000 |
C24H34O6 |
1.5407 |
5 |
1 |
85.97 |
17.0 |
30 |
2 |
|
|
| 1-Octen-3-Ol |
natural product |
Satureja hortensis|Eutypella scoparia|Panax innovans|Vitex trifolia|Artemisia argyi|Lambertella corni-maris|Rhodobacter sphaeroides|Apollonias barbujana|Trichosanthes kirilowii|Artemisia capillaris|Ephedra sinica|Fragaria vesca|Ceropegia fusca|Elsholtzia splendens|Artemisia montana|Saposhnikovia divaricata|Laurencia distichophylla|Primula spectabilis|Senecio mairetianus|Artemisia princeps|Schizonepeta tenuifolia|Lycopus europaeus|Perilla frutescens|Capsicum annuum|Tricholoma matsutake|Desmostachya bipinnata|Senna alexandrina|Pterocarpus indicus|Saccharina japonica|Nidula candida|Spodoptera frugiperda|Elsholtzia ciliata|Citrullus lanatus subsp. vulgaris|Campanula persicifolia|Streptomyces griseovariabilis|Ipomoea cairica|Bombax ceiba|Gossypium herbaceum|Isodon lophanthoides|Aconitum leucostomum|Foeniculum vulgare|Alangium premnifolium|Eupolyphaga sinensis|Ophiocoma scolopendrina|Ganoderma lucidum|Ganoderma sinense|Exodermis poria|Ilex amara|Persea mexicana|Galenia africana|Solanum acaule|Dendrobium fimbriatum var. oculatum|Penicillium cinerascens|Lasianthus fordii|Globba malaccensis|Lobelia chinensis|Tirumala limniace|Artemisia hanseniana|Colobocentrotus atratus|Lycium barbarum|Dioscorea collettii|Gnidia lamprantha|Gardenia tubifera|Adenophprae ae radix|Lycium chinense|Heterotheca inuloides|Dictyota masonii|Swertia delavayi|Spatholobus suberectus|Lycopus lucidus|Onychium japonicum|Dipterocarpus dyeri|Gossypium barbadense|Scutellariae barbatae herba|Mosla chinensis|Epimedium davidii|Leucadendron argenteum|Dianthi herba|Panax ginseng|Vismia jefensis|Frullania tamarisci|Thalluslaminariae|Delphinium andersoni|Quercus sessiliflora|Ledebouria socialis|Violsse herba|Phyllanthus emblica|Angelica tarokoensis|Vallota purpurea|Annona foetida|Campsis flos|Pinellia ternata|Mananthes patentiflora|Pyrola virens|Maba buxifolia|Eucalyptus cinerea|Aauropi folium|Erysimum odoratum|Conyza filaginoides|Saussurea carthamoides|Folium artemisiae argyi|Schizonepeta tenuisfolia|Dipteryx alata|Rhaponticum repens|Piper montealegreanum|Polygonati odorati rhizoma|Scutellaria barbata|Blumea mollis|Leonurus glaucescens|Garcinia scortechinii|Fumaria schleicheri|Lepidium draba|Isodon japonicus|Aquilegia ecalcarata|Thymus quinquecostatus|Ceanothus velutinus|Spodoptera eridania|Salacia madagascariensis|Knightia excelsa|Verbenae herb|Thymus vulgaris|Bragantia wallichii|Euphorbia mellifera|Penicillium citreonigrum|Radix bupleuri|Micromeria pineolens|Vaccinium vitis-idaea|Chlorophytum borivilianum|Coriolus|Radix et rhizoma rhodiolae|Anarsia lineatella|Tubifera dimorphotheca|Kopsia grandifolia|Lactuca virosa|Diphasia angolensis|Artemisia annua|Sordaria araneosa|Penicillium multicolor|Artemisia apiacea|Nemalion vermiculare |
Org=Bacillus cereus | Colletotrichum gloeosporioides | Vibrio parahaemolyticus | Salmonella typhimurium | Listeria monocytogenes | Staphylococcus aureus | Escherichia coli O157:H7 |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Org=Bacillus cereus | Colletotrichum gloeosporioides | Vibrio parahaemolyticus | Salmonella typhimurium | Listeria monocytogenes | Staphylococcus aureus | Escherichia coli O157:H7 |
3D viewer |
Pubchem |
1G85 1HN2 |
6992244 |
No Cas |
CCCCCC(C=C)O |
VSMOENVRRABVKN-QMMMGPOBSA-N |
128.12000 |
C8H16O |
-0.9039 |
1 |
1 |
20.23 |
7.0 |
9 |
0 |
|
(3R)-oct-1-en-3-ol|1-Octen-3-ol, (3R)-|(R)-oct-1-en-3-ol|(R)-(-)-1-octen-3-ol|(R)-1-octen-3-ol|UNII-BYV0MEV7V1|3687-48-7|BYV0MEV7V1|CHEBI:39932|VSMOENVRRABVKN-QMMMGPOBSA-N|Matsutakeol|(-)-Matsutakeol|(R)-Matsutake alcohol|L-1-Octen-3-ol|(-)-1-Octen-3-ol|1-Octen-3-ol, (R)-|FEMA No. 4492|1-Octen-3-ol, (-)-|CHAMPIGNOL|(3R)-1-octen-3-ol|r-(-)-1-octene-3-ol|SCHEMBL444600|CHEMBL1230177|CTK1C5282|ZINC1562157|LMFA05000093|AKOS028109444|CJ-05365|CJ-24574|A821997|I14-106606|UNII-WXB511GE38 component VSMOENVRRABVKN-QMMMGPOBSA-N| |
| Eupatilin |
bioactive compound |
Aemisia princeps|Streptomyces althioticus|Aceriphyllum rossii|Lactarius scrobiculatus|Eupatorium semiserratum|Salvia officinalis|Vitex madiensis|Chrysanthemum indicum|Bassia butyracea|Citrus reticulata|Anaxagorea clavata|Helianthus mollis|Glaucium vitellinum|Artemisia rubripes|Taxodium mucronatum|Arnica nevadensis|Citrus reticulate|Rhizobium phaseoli|Quercus aegilops|Senecio squalidus|Aria pallescens|Pteris prolifera|Chloranthus tianmushanensis|Ficus formosana|Folium artemisiae argyi|Bellis perennis|Kaempferia pulchra|Chrysanthemi flos|Pandanus amaryllifolius|Bursaria spinosa|Schizonepetae spica|Chromolaena odorata|Pyrosoma giganteum|Artemisia argyi|Odixia angusta|Cladonia evansii|Thymus godayanus|Teucrium lancifolium|Stenostomum lucidum|Artemisia montana|Coccus fagi|Pseudopterogorgia kallos|Artemisia princeps|Wallemia sebi|Stachys glutinosa|Pterocarpus grandiflorus|Prosopis glandulosa|Chrysanthemum x morifolium|Werneria nubigena|Drosera peltata|Artemisia monogyna|Dioscorea japonica|Ilex affinis|Hypericum henryi|Securidaca inappendiculata|Dipterocarpus alatus|Chromolaena pulchella|Fusarium gibbosum|Beyeria brevifolia|Echinops amplexicaulis|Artemisia anomala|Gardenia fosbergii|Othonna coronopifolia|Alligator mississippiensis|Isodon kameba|Sium lineare|Dendrosenecio kilimanjari|Araujia sericifera|Seriphidium cinum|Taxus chienii|Clonostachys rosea|Epaltes gariepina|Pheidole pallidula|Eupatorium japonicum|Agnorhiza bolanderi|Salvia mellifera|Simira eliezeriana|Actinopyga lecanora|Polysiphonia urceolata|Prunus laurocerasus|Sesbania punicea |
Path=CASP3 pathway|CASP7 pathway|CASP9 pathway|CYCS pathway|CCND1 pathway|CDKN1A pathway|JUN pathway|JUND pathway|MAPK14 pathway|TFF1 pathway|Gen=Others|Cannabinoid CB1 receptor - Homo sapiens | Cannabinoid CB2 receptor - Homo sapiens | Delta opioid receptor - Mus musculus | Delta opioid receptor - Homo sapiens | Mu opioid receptor - Homo sapiens | Mu opioid receptor - Mus musculus | Kappa opioid receptor - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|mammary gland fibrocystic disease |Gastrointestinal Cancer|Gastric carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
5273755 |
22368-21-4 |
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O)OC)O)OC |
DRRWBCNQOKKKOL-UHFFFAOYSA-N |
344.32000 |
C18H16O7 |
2.603 |
5 |
2 |
94.40 |
4.0 |
25 |
3 |
Eupatilin, a major flavonoid from Artemisia plants, possesses various beneficial biological effects including anti-inflammation, anti-tumor, anti-cancer, anti-allergy, and anti-oxidation activity. |
NSC 122413 |
| Adenanthin F |
natural product |
Isodon adenantha|Senecio fuchsii|Ovidia pillo-pillo|Sideritis marmorea|Aspergillus puniceus|Rhamnus disperma|Polypodium fauriei|Cora pavonia|Rabdosia adenantha|Didymeles madagascariensis|Artemisia viridis |
|
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia |
3D viewer |
Pubchem |
|
10873754 |
No Cas |
CC(=O)OC1CC2C(C(CC(C2(C3C14CC(CC3O)C(=C)C4=O)C)O)OC(=O)C)(C)C |
MSSKMHWUFIWCPL-FHDAQICNSA-N |
434.23000 |
C24H34O7 |
-0.2434 |
7 |
2 |
110.13 |
11.0 |
31 |
4 |
Diterpenoids from Isodon adenantha.|Adenanthin targets peroxiredoxin I and II to induce differentiation of leukemic cells.|Preventive and therapeutic effects of adenanthin on experimental autoimmune encephalomyelitis by inhibiting NF-B signaling.|Adenanthin targets proteins involved in the regulation of disulphide bonds. |
|
| Sophoridine |
natural product |
Sophora flavescens|Planchonia grandis|Plathymenia reticulata|Syzygium polycephaloides|Pteridium esculentum|Abelia chinensis|Siphonaria capensis|Lycogala epidendrum|Sophorae tonkinensis radix et rhizome|Lemaireocereus longispinus|Embelia schimperi|Cordia leucocephala|Sophorae flavescentis radix|Latrunculia magnifica|Eria anomala|Sophora tonkinensis|Asimina parviflora|Erythrina melanacantha|Hypericum styphelioides|Myxococcus stipitatus|Theonella conica|Morella rubra|Faramea salicifolia|Chondrodendron tomentosum|Conus mus|Vellozia nanuzae|Monsonia senegalensis|Piper regnellii|Pancratium sickenbergeri|Onopordum acanthium|Rhinella marina|Helichrysum tenuifolium|Clerodendrum bungei|Embelia parviflora|Esenbeckia leiocarpa|Shigella dysenteriae|Simarouba glauca|Diospyros assimilis|Baccharis neglecta|Gymnocalycium schickendantzii|Centaurea maculosa|Lythrum salicaria|Tricholoma columbetta|Vernonia fagifolia|Dendronephthya griffini|Aplophyllum alberti-regelii|Haplophyllum obtusifolium|Euphorbia nematocypha|Dolabella californica|Erysimum leptophyllum|Epilobium hirsutum|Ephedra sinica|Atraphaxis spinosa |
Path=EIF4E pathway|N/A|MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|CASP3 pathway|FAS pathway|FASLG pathway|Gen=Opioid Receptor |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioma|Chronic Myelogenous Leukemia|Esophageal and Esophagogastric Junction Cancers|Esophageal squamous cell carcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Gen=Neuronal Signaling |
3D viewer |
Pubchem |
|
165549 |
6882-68-4 |
C1CC2C3CCCN4C3C(CCC4)CN2C(=O)C1 |
ZSBXGIUJOOQZMP-BHPKHCPMSA-N |
248.19000 |
C15H24N2O |
-1.9058 |
3 |
0 |
23.55 |
0.0 |
18 |
4 |
Acute effects of anti-inflammatory drugs on neodymium:yttrium aluminum garnet laser-induced uveitis in dogs.|Prevention of ocular inflammation by matrine, prednisolone, and cyclooxygenase and lipoxygenase inhibitors.|Ocular anti-inflammatory actions of matrine.|[Effects of inhibitor of protein kinase C on brain edema formation evoked by experimental cerebral ischemia in gerbils and rats].|[The influence of Matrine on apoptosis of fibroblasts and the expression of apoptotic modulation related protein in hypertrophic scar of rabbit ear].|[Effects of matrine on the activity of protein tyrosine kinase and phosphatase in K562 cells]. |
Sophoridine|6882-68-4|Sophoridin|l-Sophoridine|5-Epidihydrosophocarpine|Dihydro-5-episophocarpine|(5-beta)-Matridin-15-one|UNII-W5S1M800J7|W5S1M800J7|(5beta)-matridin-15-one|Allomatrine|C15H24N2O|83148-91-8|6-Allomatrine|Matridin-15-one, (5-beta)-|(-)Sophoridine|Sophoridine,(S)|6.beta.-Matrine|Tetrahydroisosophoramine|Matridin-15-one, (5-beta)- (9CI)|AC1L4WU9|MLS006011816|SCHEMBL564578|CHEMBL1824581|DTXSID60218927|MolPort-002-507-291|ZSBXGIUJOOQZMP-BHPKHCPMSA-N|Matridin-15-one, (6.beta.)-|ZINC3881785|BBL010922|STK801895|AKOS004119815|DS-3313|MCULE-7195146283|AC-11149|AK548487|SMR000445708|LS-145665|TL8004825|W1029|882S684|J-524280|Q-100773|(4(1)S,7aR,13aR,13bR)-dodecahydro-1H-dipyrido2,1-f:3',2',1'-ij1,6naphthyridin-10(4(1)H)-one|1H,5H,10H-Dipyrido2,1-f:3',2',1'-ij1,6naphthyridin-10-one,dodecahydro-, (7aR,13aR,13bR,13cS)-| |
| Poricoic Acid A |
natural product |
Poria cocos|Wolfiporia cocos |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia |
3D viewer |
Pubchem |
|
5471851 |
137551-38-3 |
CC(C)C(=C)CCC(C1C(CC2(C1(CC=C3C2=CCC(C3(C)CCC(=O)O)C(=C)C)C)C)O)C(=O)O |
KVAQLXUMUVEKGR-SMFZDKLCSA-N |
498.33000 |
C31H46O5 |
3.1607 |
5 |
3 |
94.83 |
19.0 |
36 |
3 |
Inhibitory effects of triterpenoids and sterols on human immunodeficiency virus-1 reverse transcriptase. |
Poricoic acid A|137551-38-3|Poricoic acid A(F)|CHEBI:68353|AC1NV7TS|CHEMBL461483|MolPort-039-338-507|ZINC6040344|NSC715080|AKOS027326667|NSC-715080|NCI60_039753|16.alpha.-Hydroxy-3,7,9(11),24(24(sup 1))-tetraene-3,21-dioic acid|(2R)-2-(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-2,3,3a,4,6,7,8,9b-octahydro-1H-cyclopentaanaphthalen-3-yl-6-methyl-5-methylideneheptanoic acid|(2R)-2-(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopentaanaphthalen-3-yl-6-methyl-5-methylideneheptanoic acid|(2R)-2-(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-7-isopropenyl-3a,6,9b-trimethyl-1,2,3,4,7,8-hexahydrocyclopentaanaphthalen-3-yl-6-methyl-5-methylene-heptanoic acid|(R)-2-(2R,3R,3aR,6S,7S,9bR)-6-(2-Carboxy-ethyl)-2-hydroxy-7-isopropenyl-3a,6,9b-trimethyl-2,3,3a,4,6,7,8,9b-octahydro-1H-benzeinden-3-yl-6-methyl-5-methylene-heptanoic acid| |
| Berbamine |
natural product |
Berberis amurensis|Berberis spp|Moesziomyces antarcticus|Berberis thunbergii|Garcinia paucinervis|Stephania sasakll|Radula voluta|Mahonia japonica|Berberis fortunei|Thalictrum thunbergii|Ligularia nelumbifolia|Stephania cepharantha|Oxytropis lanata|Mahonia fortunei|Populus balsamifera|Euphorbia broteri|Artocarpus incisa|Dunaliella salina|Grifola frondosa|Cetraria australiensis|Trifolium stellatum|Notholaena schaffneri|Nectandra saligna|Plectranthus ernstii|Conus gladiator|Thalictri glandulosissimi et|Panax quinquefolius|Mahoniae caulis|Pilosocereus chrysacanthus|Stephaniae tetrandrae radix|Dilophus guineensis|Mahoniae eadix|Eupatorium glandulosum|Sphaerophysa salsula|Phomopsis cassiae|Piper retrofractum|Lora quadra|Hylomecon japonica|Ardisia hortorum|Cryptantha leiocarpa|Haplophyllum latifolium|Euphorbia characias subsp. wulfenii|Spongia vaginalis|Frullania dilatata|Leibnitzia anandria|Chrysanthemum myconis|Lithocarpus haipinii|Acnistus arborescens|Dictyodendrilla cavernosa|Cyclea barbata|Chrysactinia mexicana|Microstrobos niphophilus|Bohadschia marmorata|Sideritis ferrensis|Zataria bracteata|Berberis oblonga|Photinus marginellus|Sargassum fulvellum|Zamia spiralis|Strychnos gossweileri|Tephrosia falciformis|Thalictrum foliolosum|Doronicum grandiflorum|Berberis vulgaris |
Path=NAT1 pathway|ABL1 pathway|BCR pathway|CASP3 pathway|PTGS2 pathway|CASP8 pathway|CASP9 pathway|FAS pathway|TP53 pathway|BCL2 pathway|BAX pathway|Arachidonate 15-lipoxygenase, type II - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Phosphodiesterase 1A - Homo sapiens | Anthrax lethal factor - Bacillus anthracis | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Telomerase reverse transcriptase - Homo sapiens |Org= Plasmodium falciparum | Entamoeba histolytica |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|Oral Squamous Cell Carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Org=Plasmodium falciparum | Entamoeba histolytica |
3D viewer |
Pubchem |
|
275182 |
478-61-5 |
CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC |
DFOCUWZXJBAUSQ-URLMMPGGSA-N |
608.29000 |
C37H40N2O6 |
-0.1345 |
2 |
1 |
72.86 |
9.0 |
45 |
6 |
Comparative effects of tetrandrine and berbamine on production of the inflammatory cytokines interleukin-1 and tumor necrosis factor.|Biscoclaurine alkaloids inhibit receptor-mediated phospholipase A2 activation probably through uncoupling of a GTP-binding protein from the enzyme in rat peritoneal mast cells.|Inhibition of prostaglandin and leukotriene generation by the plant alkaloids tetrandrine and berbamine.|A derivative of bisbenzylisoquinoline alkaloid is a new and potential calmodulin antagonist.|[Observation of relationship between function and structure of experimental pulmonary artery hypertension in rats and inhibitory effect of garlicin and other herbal medicines].|[Effects of calcium channel blockers and calmodulin inhibitors on the secretion of endothelin-1 in cultured endothelial cells]. |
BERBAMINE|(+)-Berbamine|478-61-5|d-Berbamine|UNII-V5KM4XJ0WM|Berbenine|V5KM4XJ0WM|CHEBI:3063|CHEMBL504323|CCRIS 6538|EINECS 207-523-5|NSC 121842|BRN 0078902|NSC-369310|berbamine hydrochloride|AC1Q58EN|SCHEMBL19039|2-27-00-00891 (Beilstein Handbook Reference)|AC1L5H68|MolPort-001-728-239|TNP00325|BDBM50241654|ZINC30726840|AKOS015896768|NSC-121842|NCGC00017375-01|NCGC00017375-02|NCGC00142548-01|4CN-1170|AK167975|NCI60_003398|C09357|Berbaman-12-ol,6',7-trimethoxy-2,2'-dimethyl-|SR-05000002322|I07-0244|SR-05000002322-2|Berbaman-12-ol, 6,6',7-trimethoxy-2,2'-dimethyl- (9CI)|WLN: T-T66 CNT&J C1 HO1 IO- JT66 CNT&J C1 HO1 IO1 B1R DQ COR D1- B-18-J| |
| Bowdichione |
natural product |
Scutellaria baicalensis|Dalbergia parviflora|Dalbergiae odoriferae lignum|Lignum dalbergiae odoriferae rosewood|Dalbergia odorifera |
Path=N|ITGAM pathway|N/A|JUN pathway|JUND pathway|PTGS2 pathway|ABCB5 pathway| |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Squamous Celll Carcinoma |
3D viewer |
Pubchem |
|
5281705 |
53774-75-7 |
COC1=CC(=O)C(=CC1=O)C2=COC3=C(C2=O)C=CC(=C3)O |
GCAIEHBYLQNGAF-UHFFFAOYSA-N |
298.05000 |
C16H10O6 |
-1.6266 |
4 |
1 |
89.90 |
4.0 |
22 |
3 |
|
Bowdichione|53774-75-7|CHEBI:3162|AC1NQYXP|C10202|SCHEMBL2987995|CHEMBL1087008|DTXSID50415180|LMPK12080050|2-(7-hydroxy-4-oxo-4H-chromen-3-yl)-5-methoxybenzo-1,4-quinone|2-(7-hydroxy-4-oxochromen-3-yl)-5-methoxycyclohexa-2,5-diene-1,4-dione| |
| Parthenolide |
natural product |
Tanacetum parthenium|Asteraceae|Indigofera arrecta|Michelia lanuginosa|Laserpitium siler|Smilax aristolochiaefolia |
Path=MLL pathway|MAPK14 pathway|Gen=HDAC,NF-?B,Mdm2,p53|Aldehyde dehydrogenase 1A1 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Parathyroid hormone receptor - Homo sapiens | Vitamin D receptor - Homo sapiens | Ferritin light chain - Equus caballus | Regulator of G-protein signaling 4 - Homo sapiens | Geminin - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens|Acetylcholinesterase - Electrophorus electricus | Nuclear factor NF-kappa-B p65 subunit - Homo sapiens | Nitric oxide synthase, inducible - Mus musculus | Serotonin 2a (5-HT2a) receptor - Rattus norvegicus | Caspase-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Cholinesterase - Equus caballus | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Transcriptional activator Myb - Gallus gallus | NACHT, LRR and PYD domains-containing protein 3 - Homo sapiens | UDP-N-acetylglucosamine 1-carboxyvinyltransferase - Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) | UDP-N-acetylglucosamine 1-carboxyvinyltransferase - Escherichia coli K-12 | Transcription factor Sp1 - Homo sapiens | Cyclooxygenase-2 - Homo sapiens |Org= Plasmodium falciparum | Orobanche cernua var. cumana |
Dis=Acute Lymphoblastic Leukemia|pre-B leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Medulloblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Melanoma|malignant melanoma|Skin Cancer|Epithelial cell carcinoma|Small Cell Lung Cancer|Small Cell Lung Carcinoma|Gen=NF-?B |
3D viewer |
Pubchem |
|
6473881 |
20554-84-1 |
CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C |
KTEXNACQROZXEV-SLXBATTESA-N |
248.14000 |
C15H20O3 |
1.7578 |
3 |
0 |
38.83 |
2.0 |
18 |
3 |
A comparison of the effects of an extract of feverfew and parthenolide, a component of feverfew, on human platelet activity in-vitro.|Inhibition of the expression of inducible cyclooxygenase and proinflammatory cytokines by sesquiterpene lactones in macrophages correlates with the inhibition of MAP kinases.|Rabbit cerebral cortex 5HT1a receptors.|Antimycobacterial evaluation of germacranolides.|Sesquiterpene lactones inhibit inducible nitric oxide synthase gene expression in cultured rat aortic smooth muscle cells.|Sesquiterpene lactones with potential use as natural herbicide models (I): trans,trans-germacranolides. |
parthenolide|20554-84-1|(-)-Parthenolide|UNII-2RDB26I5ZB|2RDB26I5ZB|NSC157035|NSC-157035|NCGC00016748-01|(1aR,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno9,10cyclodeca1,2-bfuran-9(1aH)-one|CAS-20554-84-1|SCHEMBL8219|DSSTox_CID_20579|DSSTox_RID_79507|DSSTox_GSID_40579|MEGxp0_000050|SCHEMBL5487404|DTXSID2040579|ACon1_001961|Parthenolide ((-)-Parthenolide)|KTEXNACQROZXEV-SLXBATTESA-N|MolPort-001-740-222|MolPort-016-633-336|HMS3266B13|Oxireno9,10cyclodeca1,2-bfuran-9(1aH)-one, 2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methylene-, (1aR,4E,7aS,10aS,10bS)-|Tox21_110589|s2341|ZINC30726283|AKOS015969726|AKOS022168211|DB13063|MCULE-3930398727|NCGC00024683-03|N1315|P1982|C07609|SR-01000597658|SR-01000597658-1|BRD-K98548675-001-04-2|4,5alpha-Epoxy-6beta-hydroxygermacra-1(10),11(13)-dien-12-oic Acid gamma-Lactone|1aR-(1aR*,4E,7aS*,10aS*,-10bR*)-2,3-6,7,7a,8,10a,10b-Octahydro-1a,5-dimethyl-8-methyleneoxireno9,10cyclodeca1,2-bfuran-9(1aH)-one|Germacra-1(10),11(13)-dien-12-oic acid, 4,5.alpha.-epoxy-6.beta.-hydroxy-, gamma.-lactone| |
| Didesmethylrocaglamide |
natural product |
Aglaia ponapensis |
Nuclear factor NF-kappa-B p65 subunit - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia |
3D viewer |
Pubchem |
|
397614 |
No Cas |
COC1=CC=C(C=C1)C23C(C(C(C2(C4=C(C=C(C=C4O3)OC)OC)O)O)C(=O)N)C5=CC=CC=C5 |
RMNPQEWLGQURNX-PXIJUOARSA-N |
477.18000 |
C27H27NO7 |
-2.2075 |
4 |
4 |
121.46 |
12.0 |
35 |
5 |
|
Didesmethylrocaglamide|NSC705956|AC1L9EYU|CHEMBL583207|CTK7A1595|NSC-705956|NCI60_037765|(1R)-2,3,3a,8b-Tetrahydro-1alpha,8bbeta-dihydroxy-6,8-dimethoxy-3abeta-(4-methoxyphenyl)-3beta-phenyl-1H-cyclopentabbenzofuran-2alpha-carboxamide|(1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopentab1benzofuran-2-carboxamide|(1r,2r,3s,3ar,8bs)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1h-cyclopentabbenzofuran-2-carboxamide|1H-Cyclopentabbenzofuran-2-carboxamide,3,3a,8b-tetra~ hydro-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3- phenyl-, 1R-(1.alpha.,2.alpha.,3.beta.,3a.beta.,8b.beta.)-| |
| Nerolidol |
natural product |
Satureja montana|Comptonia peregrina|Actaea simplex|Panax quinquefolius|Cinamomum cassia|Perilla frutescens|Cinnamomum aromaticum|Piper nigrum|Houttuynia cordata|Lonicera japonica|Citrus aurantium|Prunella vulgaris|Boswellia carterii|Citrus maxima|Schisandra chinensis|Artemisia scoparia|Curcuma kwangsiensis|Vitex negundo|Zingiber officinale|Curcuma longa|Dolomiaea souliei|Hedychium coronarium|Curcuma phaeocaulis|Zanthoxylum bungeanum|Artemisia capillaries|Curcuma wenyujin|Zanthoxylum piperitum|Dalbergia odorifera|Zanthoxylum schinifolium|Daucus carota|Acorus calamus|Elettaria cardamomum|Perilla frutescens var. arguta|Agrimonia pilosa|Elsholtzia ciliata|Oplopanax elatus|Amomum longiligulare|Foeniculum vulgare|Oleum dalbergiae odoriferae|Amomum villosum|Forsythia suspensa|Illicium verum|Amomum xanthioides|Forsythia viridissima|Teucrium bidentatum|Artemisia argyi|Ginkgo biloba|Fructus schiandrae|Artemisia capillaris|Eleutherococcus giraldii|Fructus syzygii|Artemisia montana|Hypericum perforatum|Artemisia princeps|Saussurea costus|Bupleurum chinense|Bupleurum falcatum|Laggera pterodonta|Bupleurum scorzonerifolium|Lindera aggregata|Lindera strichnifolia|Capsicum annuum|Lobelia chinensis|Senna alexandrina|Chrysanthemum indicum|Mentha arvensis|Chrysanthemum x morifolium|Mentha canadensis|Chrysanthemum zawadskii|Actaea dahurica|Mosla chinensis|Actaea cimicifuga|Panax ginseng|Actaea heracleifolia|Panax notoginseng |
Arachidonate 15-lipoxygenase - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Thyroid hormone receptor beta-1 - Homo sapiens |Org= Propionibacterium acnes | Staphylococcus aureus |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Org=Propionibacterium acnes | Staphylococcus aureus |
3D viewer |
Pubchem |
4MC3 |
5284507 |
7212-44-4 |
CC(=CCCC(=CCCC(C)(C=C)O)C)C |
FQTLCLSUCSAZDY-SDNWHVSQSA-N |
222.20000 |
C15H26O |
3.7014 |
1 |
1 |
20.23 |
12.0 |
16 |
0 |
Inhibition of azoxymethane-induced neoplasia of the large bowel by 3-hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene (nerolidol).|Characterization of the isoprenoid chain of coenzyme Q in Plasmodium falciparum.|Activity and mechanisms of action of selected biocidal agents on Gram-positive and -negative bacteria.|Differential timing of spider mite-induced direct and indirect defenses in tomato plants.|Antileishmanial activity of the terpene nerolidol.|Antifungal effect of eugenol and nerolidol against Microsporum gypseum in a guinea pig model. |
NEROLIDOL|trans-Nerolidol|40716-66-3|7212-44-4|(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol|Nerolidol (natural)|FCI 119b|3,7,11-Trimethyldodeca-1,6,10-trien-3-ol|Methylvinylhomogeranyl carbinol|FEMA No. 2772|(E)-3,7,11-Trimethyldodeca-1,6,10-trien-3-ol|3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol|EINECS 230-597-5|EPA Pesticide Chemical Code 128910|3-Hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene|BRN 1724135|Peruviol|AI3-10519|CCRIS 7678|(E)-nerolidol|FQTLCLSUCSAZDY-SDNWHVSQSA-N|Nerolidol (cis- and trans- mixture)|1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-|1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (6E)-|3,7,11-Trimethyldodeca-1,6,10-trien-3-ol,mixed isomers|NCGC00095837-01|(.+/-.)-Nerolidol|35944-21-9|1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (E)-|Nerolidol (E)|Nerolidol (6CI)|Nerolidol trans-form|3,7,11-Trimethyl-1,6,10-dodecatriene-3-ol|FQTLCLSUCSAZDY-UHFFFAOYSA-N|.beta.-Nerolidol|.alpha.-Nerolidol|(6E)-nerolidol|EINECS 255-053-4|NEROLIDOL FCC|Nerolidol, cis + trans|Spectrum5_000460|.+/-.-trans-Nerolidol|(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol|Nerolidol (cis and trans)|EC 230-597-5|AC1NR4L4|AC1Q1NV1|DSSTox_CID_20783|DSSTox_RID_79598|DSSTox_GSID_40783|BSPBio_002958|3-01-00-02042 (Beilstein Handbook Reference)|CHEMBL25424|SCHEMBL114136|SPECTRUM1502251|DTXSID2040783|CHEBI:141283|MolPort-002-501-626|MolPort-028-746-616|s139|s199|AC1Q7195|Tox21_111527|trans-Nerolidol, analytical standard|BBL018508|CCG-38883|SBB007741|STL193540|AKOS015902890|AKOS025310880|LS-2978|SDCCGMLS-0066709.P001|NCGC00095837-02|NCGC00095837-03|AN-23232|AS-16074|ST059434|AB1008378|AX8144198|CAS-40716-66-3|Nerolidol, 98%, Mixture of cis and trans|TC-165769|N0454|ST24028240|T8138|SR-05000002467|Q-201460|SR-05000002467-1|W-110939|(6E)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol|I14-19570|trans-Nerolidol, primary pharmaceutical reference standard|Nerolidol, mixture of cis and trans, >=97%, stabilized, FG|Nerolidol, mixture of cis and trans, analytical reference material|(6E)-3,7,11-Trimethyldodeca-1,6,10-trien-3-ol; 3-Hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene| |
| Naringenin |
bioactive compound |
Citrus spp|Salix hulteni|Cirsium setosum|Scutellaria barbata|Chrysanthemum x morifolium|Smilax china|Citrus aurantium|Smilax glabra|Citrus maxima|Solanum nigrum|Citrus natsudaidai|Citrus sinensis|Crocus sativus|Sophora japonica|Dalbergia odorifera|Spatholobus suberectus|Dendrobium candidum|Thymus quinquecostatus|Dendrobium chrysanthum|Thymus vulgaris|Dendrobium chrysotoxum|Turpinia arguta|Dendrobium fimbriatum|Typha angustifolia|Dendrobium loddigesii|Typha orientalis|Dendrobium nobile|Vitex negundo|Dendrobium catenatum|Zingiber officinale|Desmodium styracifolium|Erigeron breviscapus|Euonymus alatus|Citrus unshiu|Euphorbia hirta|Prunus persica|Foeniculum vulgare|Helichrysum arenarium|Glycyrrhiza glabra|Prunus mume|Glycyrrhiza inflata|Citrus grandis|Glycyrrhiza uralensis|Prunus davidiana|Hedysarum polybotrys|Prunus yedoensis|Humulus lupulus|Garcinia multiflora|Lysimachia christinae|Fallopia multiflora|Trigonella foenum-graecum|Persicaria orientalis|Camellia sinensis var. assamica (masters) kitamura|Citrus trifoliata|Anacardium occidentale|Prunus serrulata var. spontanea|Alpinia katsumadai|Rhododendron dauricum|Breea segeta |
Path=OGG1 pathway|Cytochrome P450 3A4 - Homo sapiens | Voltage-gated L-type calcium channel alpha-1C subunit - Rattus norvegicus | Beta-glucocerebrosidase - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Geminin - Homo sapiens | Ferritin light chain - Equus caballus | Luciferin 4-monooxygenase - Photinus pyralis | Arachidonate 12-lipoxygenase - Homo sapiens | Arachidonate 5-lipoxygenase - Homo sapiens | DNA polymerase iota - Homo sapiens | 6-phospho-1-fructokinase - Trypanosoma brucei |Org= Plasmodium falciparum |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|mouse stomach cancer|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|Prostate Adenocarcinoma|Soft Tissue Sarcoma|Mouse sarcoma|Gen=Metabolism |
3D viewer |
Pubchem |
4A87 2BRT 2UXU 1EYQ |
439246 |
480-41-1 |
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O |
FTVWIRXFELQLPI-UHFFFAOYSA-N |
272.25000 |
C15H12O5 |
2.373 |
2 |
3 |
87.00 |
1.0 |
20 |
3 |
Naringenin is a natural predominant flavanone derived from plant food, which is considered to have a bioactive effect on human health as antioxidant, free radical scavenger, anti-inflammatory, carbohydrate metabolism promoter, and immune system modulator. |
NSC 34875, S-Dihydrogenistein, NSC 11855, Salipurol |
| Henryin |
natural product |
Isodon rubescens|Rabdosia excisa|Isodon eriocalyx|Isodon henryi |
|
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma |
3D viewer |
Pubchem |
|
11741244 |
No Cas |
CC(=O)OCC12C3CCC4C(C3(C(CC1C(CCC2O)(C)C)O)C(=O)C4=C)O |
FWBSIMCZPHJUNZ-PUFYUQCQSA-N |
392.22000 |
C22H32O6 |
-1.2057 |
6 |
3 |
104.06 |
9.0 |
28 |
4 |
Structure and cytotoxicity of diterpenoids from Isodon eriocalyx.|Henryin, an ent-kaurane diterpenoid, inhibits Wnt signaling through interference with -catenin/TCF4 interaction in colorectal cancer cells. |
|
| Berberine |
natural product |
Coptis chinensis|Hydrastis canadensis|Coptidis rhizoma|Berberis aristata|Phellodendron amurense|Labidiaster annulatus|Limulus polyphemus|Piper methysticum|Harpullia cupanioides|Cetraria australiensis|Isodon eriocalyx|Mezzettia leptopoda|Psacalium peltatum|Veronica stricta|Euphorbia broteri|Erythrophleum suaveolens|Aralia hispida|Cussonia racemosa|Corydalis ophiocarpa|Plectranthus ernstii|Bohadschia marmorata|Ligularia nelumbifolia|Androsace septentrionalis|Notholaena schaffneri|Astragalus trojanus|Symphytum officinale|Lysastrosoma anthosticta|Parthenium confertum|Lobelia syphilitica|Stachys plumosa|Marrubium parviflorum|Schisandra pubescens|Gonotheca helianthoides|Pinus glabra|Larrea tridentata|Coprosma foetidissima|Pseudognaphalium adnatum|Chrysanthemum myconis|Artabotrys maingayi|Euphorbia fortissima|Pyropolyporus fomentarius|Nuxia sphaerocephala|Jasonia glutinosa|Scrippsiella trochoidea|Inocybe rimosa|Streptomyces aizunensis|Chenopodiastrum murale|Berberis poiretii|Diospyros ebenum|Chenopodium quinoa|Citrus medica|Trifolium diffusum|Berberis soulieana|Bumelia obtusifolia|Eriocephalus kingesii|Ligularia sagitta|Lappula echinata|Berberis vernae|Tephrosia falciformis|Berberis petiolaris|Pilosocereus chrysacanthus|Theobroma speciosum|Berberis wilsonae|Ficus hirta|Calocephalus knappii|Ceratophyllum demersum|Cyttaria johowii|Chelidonium majus|Streptomyces graminofaciens|Panicum crus-galli|Isodon wikstroemioides|Dalbergia spruceana|Cissampelos pareira|Cyperus nipponicus|Eupatorium glandulosum|Oplopanax horridus|Teclea sudanica|Photinus marginellus|Coptis deltoidea|Davidsonia pruriens|Andira retusa|Corydalis ternata|Coptis japonica|Girgensohnia oppositiflora|Geranium collinum|Daphniphyllum macropodum|Coptis teeta|Horsfieldia glabra|Alhagi maurorum|Lespedeza maximowiczi|Corydalis decumbens|Artocarpus incisa|Balanophora polyandra|Zanthoxylum ocumarense|Thuja plicata|Scleropyrum wallichianum|Dictyostelium longosporum|Trifolium dubium|Corydalis turtschaninovii|Aplidium solidum|Agathosma imbricata|Sideritis ferrensis|Baeckea frutescens|Corydalis yanhusuo|Youngia japonica|Cyclacanthia bellae|Veretillum cynomorium|Fibraurea recisa|Angelica dahurica|Lilium rubrum|Lilium brownii|Ulex airensis|Sphaerechinus granularis|Lilium lancifolium|Dendrobium amplum|Berberis oblonga|Radula voluta|Lilium pumilum|Grifola frondosa|Toxicodendron pubescens|Berberis bealei|Cryptocarya chinensis|Homo sapiens|Dyssodia anthemidifolia|Berberis fortunei|Annona elliptica|Dunaliella salina|Fusarium striatum|Polygonatum polyanthemum|Psathyrotes ramosissima|Aloe saponaria|Microglossa pyrifolia|Phellodendron chinense|Panax quinquefolius|Senna spectabilis|Zamia spiralis|Cliona tenuis|Phellodendron chinese|Stereocaulon alpinum|Iva cheiranthifolia|Chaetomorpha moniligera|Lychnophora pinaster|Phymatopteris hastata|Piper retrofractum|Lasius niger|Phomopsis cassiae|Hypocrella bambusae|Bledius mandibularis |
Path=CCNB1 pathway|CDC25C pathway|CDK1 pathway|WEE1 pathway|PTGS2 pathway|ABCB1 pathway|MMP1 pathway|MMP2 pathway|MMP9 pathway|BCL2 pathway|JUND pathway|CASP3 pathway|CASP9 pathway|EGR1 pathway|none|Acetylcholinesterase - Homo sapiens | Cholesterol esterase - Bos taurus | Butyrylcholinesterase - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Thyroid stimulating hormone receptor - Homo sapiens | Inositol monophosphatase 1 - Rattus norvegicus | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Cholinesterase - Equus caballus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Cytochrome P450 2D6 - Homo sapiens | Hypoxia-inducible factor 1 alpha - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Neuraminidase - Influenza A virus (strain A/USSR/90/1977 H1N1) | Telomerase reverse transcriptase - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Aldehyde dehydrogenase 1A1 - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Cytochrome P450 1A2 - Homo sapiens | HERG - Homo sapiens | Survival motor neuron protein - Homo sapiens |Org= Toxoplasma gondii | Entamoeba histolytica | Staphylococcus aureus | Pseudomonas aeruginosa | Plasmodium falciparum | Escherichia coli | Clostridium perfringens | Enterococcus faecalis |
Dis=Acute Lymphoblastic Leukemia|B-cell lymphoma|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Esophageal and Esophagogastric Junction Cancers|Esophageal squamous cell carcinoma|Gastrointestinal Cancer|Gastric carcinoma|Head and Neck Cancers|Oral Squamous Cell Carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Hepatoma|Mouse tumor model|mouse carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Lung Lymph Node Carcinoma|Org=Toxoplasma gondii | Entamoeba histolytica | Staphylococcus aureus | Pseudomonas aeruginosa | Plasmodium falciparum | Escherichia coli | Clostridium perfringens | Enterococcus faecalis |
3D viewer |
Pubchem |
3BTI 3NP6 1JUM 3D6Y |
2353 |
2086-83-1 |
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC |
YBHILYKTIRIUTE-UHFFFAOYSA-N |
336.12000 |
C20H18NO4 |
-1.583 |
0 |
0 |
40.80 |
4.0 |
25 |
5 |
[2 new fluorochromation methods for blood smears and chromosomes using berberine sulfate following deoxyribonucleoprotein denaturation].|The effect of berberine on bilirubin excretion in the rat.|[Feed-back regulation of presynaptic D2 receptors blockaded by l-stepholidine and l-tetrahydropalmatine].|Different sites of action for alpha 2-adrenoceptor antagonists in the modulation of noradrenaline release and contraction response in the vas deferens of the rat.|Effects of l-stepholidine on tyrosine hydroxylase activity in rat corpus striatum.|HIV-1 and HIV-2 reverse transcriptases: a comparative study of sensitivity to inhibition by selected natural products. |
berberine|2086-83-1|Berberin|Umbellatine|UNII-0I8Y3P32UF|0I8Y3P32UF|CHEBI:16118|Berberal|EINECS 218-229-1|BRN 3570374|ST055798|9,10-Dimethoxy-2,3-(methylenedioxy)-7,8,13,13a-tetrahydroberbinium|Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-|9,10-dimethoxy-5,6-dihydro1,3dioxolo4,5-gisoquino3,2-aisoquinolin-7-ium|Berbamine sulphate acid|CHEMBL12089|7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)berbinium|9,10-Dimethoxy-5,6-dihydro-1,3dioxolo4,5-gisoquinolino3,2-aisoquinolin-7-ium|BERBINIUM, 7,8,13,13a-TETRAHYDRO-9,10-DIMETHOXY-2,3-(METHYLENEDIOXY)-|GNF-PF-4545|BER|NSC646666|NCGC00016526-02|NCGC00016526-07|CAS-633-65-8|Berbericine|Umbellatin|Berbinium|Majarine|Thalsine|berberine dimer|Coptis rhizome|Berberinechloride|Benzog-1,3-benzodioxolo5,6-aquinolizinium, 5,6-dihydro-9,10-dimethoxy-|Umbellatine (6CI)|Spectrum_001110|5,6-Dihydro-9,10-dimethoxybenzog-1,3-benzodioxolo5,6-aquinolizinium chloride|Berbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-, chloride|AC1L1DHO|Prestwick0_000586|Prestwick1_000586|Prestwick2_000586|Prestwick3_000586|Spectrum2_000894|Spectrum3_000618|Spectrum4_000785|Spectrum5_001458|UPCMLD-DP032|NCIMech_000354|SCHEMBL25632|BSPBio_000432|BSPBio_002156|KBioGR_001230|KBioSS_001590|cid_12456|DivK1c_000265|SPBio_000708|SPBio_002651|BPBio1_000476|CHEMBL295124|MEGxp0_001923|DTXSID9043857|UPCMLD-DP032:001|ACon1_001957|BCBcMAP01_000112|BERBERINE, ACETONE ADDUCT|C20H18NO4|CTK6J4626|KBio1_000265|KBio2_001590|KBio2_004158|KBio2_006726|KBio3_001656|MolPort-002-507-191|NINDS_000265|YBHILYKTIRIUTE-UHFFFAOYSA-N|34MD1011DM|HMS3561D13|ZINC3779067|AC-117|BBL029198|BDBM50203126|CCG-35898|STK870320|AKOS002141363|DB04115|MCULE-8261808830|RL02584|SDCCGMLS-0066718.P001|IDI1_000265|SMP1_000298|NCGC00016526-01|NCGC00016526-03|NCGC00016526-04|NCGC00016526-05|NCGC00016526-06|NCGC00016526-08|NCGC00016526-11|NCGC00091896-03|AJ-45578|AN-16120|BC201844|LS-43472|NCI60_001050|NCI60_001224|NCI60_004319|SBI-0051613.P002|AB0106411|FT-0603587|N1368|C00757|W-2449|086B831|Q-200701|Q-200702|SR-01000711827-5|BRD-K14796088-003-06-0|BRD-K14796088-003-17-7|A3125/0132259|Benzylpenicillin benzathine, Antibiotic for Culture Media Use Only|5,6-dihydro-9,10-dimethoxy-benzog-1,3-benzodioxolo5,6-aquinolizinium|5,6-Dihydro-9,10-dimethoxybenzog-1,3-benzodioxolo5,6-aquinolizinium|7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-methylenebis(oxy)berbinium|9,10-dimethoxy-2,3-(methylenedioxy)-7,8,13,13a-tetradehydroberbinium|Berbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-|3,4-dimethoxy-6,7-dihydro-1,3dioxolo4,5-gpyrido2,1-aisoquinolin-5-ylium|9,10-Dimethoxy-5,6-dihydro-1,3dioxolo-4,5-gisoquinolino3,2-aisoquinolin-7-ium|9,10-Dimethoxy-5,6-dihydro-1,3dioxolo4,5-gisoquino3,2-aisoquinolin-7-ylium|9,10-dimethoxy-5,6-dihydro-2H-1,3-dioxoleno4,5-gisoquinolino3,2-aisoquinol ine|9,10-Dimethoxy-5,6-dihydro-7lambda~5~-1,3dioxolo4,5-gisoquino3,2-aisoquinoline|Benzog-1,3-benzodioxolo5,6-aquinolizinium, 5,6-dihydro-9,10-dimethoxy- (9CI)|Benzog-1,3-benzodioxolo5,6-aquinolizinium,5,6-dihydro-9,10-dimethoxy-|16,17-dimethoxy-5,7-dioxa-13$l;{5}-azapentacyclo11.8.0.0;{2,10}.0;{4,8}.0;{15,20}henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium|3-3-(2-ethyl-1,3-thiazol-4-yl)phenyl-5-{2-(4-methylphenyl)sulfonylethyl}-1,2,4-oxadiazole|9,10-Dimethoxy-5,6-dihydro-1,3dioxolo4,5-gisoquino3,2-aisoquinolin-7-ylium chloride|9,10-Dimethoxy-5,6-dihydro-1,3dioxolo4,5-gisoquino3,2-aisoquinolin-7-ylium; chloride|InChI=1/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+| |
| Cladosporin |
natural product |
Alternaria alternata|Lecanora grumosa|Hymenoxys subintegra|Desmodium floribundum|Rhamnus nipalensis|Stichoneuron caudatum|Dacrydium nidulum|Antidesma venosum|Mammillaria krameri|Lactarius violascens |
Lysyl-tRNA synthetase - Homo sapiens |Org= Agrobacterium tumefaciens | Plasmodium falciparum |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Kidney Cancer|Renal Cell Adenocarcinoma|Prostate Cancer|Prostate Adenocarcinoma|Org=Agrobacterium tumefaciens | Plasmodium falciparum |
3D viewer |
Pubchem |
4PG3 5HGQ 4YCU 4YCV |
13990016 |
35818-31-6 |
CC1CCCC(O1)CC2CC3=CC(=CC(=C3C(=O)O2)O)O |
WOMKDMUZNBFXKG-ZWKOPEQDSA-N |
292.13000 |
C16H20O5 |
-2.3553 |
3 |
2 |
75.99 |
5.0 |
21 |
3 |
Selective and specific inhibition of the plasmodium falciparum lysyl-tRNA synthetase by the fungal secondary metabolite cladosporin.|Plant growth activities of aspyran, asperentin, and its analogues produced by the fungus Aspergillus sp.|Recent advances in malaria drug discovery.|Structural basis of malaria parasite lysyl-tRNA synthetase inhibition by cladosporin.|Structural Basis for Specific Inhibition of tRNA Synthetase by an ATP Competitive Inhibitor.|Production of New Cladosporin Analogues by Reconstitution of the Polyketide Synthases Responsible for the Biosynthesis of this Antimalarial Agent. |
Cladosporin|Asperentin|UNII-81PR0D5FI4|81PR0D5FI4|35818-31-6|(3r)-3-(2r,6s)-6-Methyloxan-2-Ylmethyl-6,8-Bis(Oxidanyl)-3,4-Dihydroisochromen-1-One|KRS|4pg3|CHEMBL448685|GTPL10247|3,4-Dihydro-6,8-dihydroxy-3-(tetrahydro-6-methyl-2H-pyran-2-yl)methylisocoumarin|1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3-((tetrahydro-6-methyl-2H-pyran-2-yl)methyl)-, (2R-(2-alpha(R*),6-beta))-|BDBM50434379|AKOS027322719|(R)-6,8-Dihydroxy-3-(((2R,6S)-6-methyltetrahydro-2H-pyran-2-yl)methyl)isochroman-1-one|(3R)-6,8-dihydroxy-3-{(2R,6S)-6-methyltetrahydro-2H-pyran-2-ylmethyl}-3,4-dihydro-1H-isochromen-1-one| |
| n.a. |
natural product |
Schisandra chinensis|Epimedium brevicornum|Epimedium wushanense|Epimrdii herba|Schisandra sphenanthera|Epimedium brevicornu|Fructus schiandrae |
|
Dis=Central Nervous System Cancers|Colorectal Cancer|Colorectal Adenocarcinoma|Neuroendocrine Tumors|Pheochromocytoma|Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma |
3D viewer |
Pubchem |
|
68781 |
No Cas |
CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1(C)O)OC)OC)OC)OC)OCO3 |
ZWRRJEICIPUPHZ-SFDCACGMSA-N |
416.18000 |
C23H28O7 |
-0.0398 |
1 |
1 |
75.61 |
11.0 |
30 |
4 |
Effect of gomisin A in an immunologically-induced acute hepatic failure model.|Effect of gomisin A (TJN-101) on the arachidonic acid cascade in macrophages.|The effect of gomisin A on immunologic liver injury in mice.|Occurrence of autoimmune antibodies to liver microsomal proteins associated with lethal hepatitis in LEC rats: effects of TJN-101 ((+)-(6S,7S,R-biar)- 5,6,7,8-tetrahydro-1,2,3,12-tetramethoxy-6,7-dimethyl-10,11- methylenedioxy-6-dibenzo[a,c]cyclooctenol) on the development of hepatitis and the autoantibodies.|Amyloid-beta-induced cytotoxicity of PC-12 cell was attenuated by Shengmai-san through redox regulation and outgrowth induction.|Inhibition of cytochrome P450 3A4 activity by schisandrol A and gomisin A isolated from Fructus Schisandrae chinensis. |
Schizandrol B|Gomisin A|Besigomsin|Schisandrol B|Wuweizi alcohol B|58546-54-6|Wuweizichun B|Besigomsin INN|(6r,7r)-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo3',4'cycloocta1',2':4,5benzo1,2-d1,3dioxol-6-ol|NCGC00181777-01|DSSTox_CID_28876|DSSTox_RID_83145|DSSTox_GSID_48950|CCRIS 6993|TJN 101|CAS-58546-54-6|Schisandrol-B|NCGC00183134-01|Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-6-ol, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, stereoisomer|Besigomsin (JAN/INN)|AC1L2AFP|AC1Q703M|SCHEMBL2701466|CHEMBL1834755|DTXSID7048950|CHEBI:31272|CTK5B2988|ZWRRJEICIPUPHZ-SFDCACGMSA-N|(+)-(6S,7S, biar-R)-5,6,7,8-Tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethylbenzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-6-ol|61281-39-8|Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-6-ol, 5,6,7,8-tetrahydro-6,7-dimethyl-1,2,3,13-tetramethoxy-, stereoisomer|ZINC5735995|Tox21_113370|Tox21_113433|5,6,7,8-tetrahydro-1,2,3,12-tetramethoxy-6,7-dimethyl-10,11-methylenedioxy-6-dibenzo(a,c)cyclooctenol|AN-39776|LS-33971|N1190|N1905|D01752|(6R)-1,2,3,13-Tetramethoxy-6,7alpha-dimethyl-5,6,7,8-tetrahydrobenzo3,4cycloocta1,2-f1,3benzodioxol-6beta-ol| |
| n.a. |
natural product |
Artemisia annua|Artemisia apiacea |
Path=MAPK14 pathway|CASP3 pathway|P-glycoprotein 1 - Homo sapiens |Org= Plasmodium falciparum 3D7 | Plasmodium falciparum |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Non-small Cell Lung Cancer|Gen=Others |
3D viewer |
Pubchem |
|
3000518 |
71939-50-9 |
CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)O)C |
BJDCWCLMFKKGEE-ISOSDAIHSA-N |
284.16000 |
C15H24O5 |
0.2487 |
5 |
1 |
57.15 |
4.0 |
20 |
3 |
Rapid action of Qinghaosu and related drugs on incorporation of [3H]isoleucine by Plasmodium falciparum in vitro.|Antimalarial activity of new dihydroartemisinin derivatives. 6. alpha-Alkylbenzylic ethers.|Reaction of antimalarial endoperoxides with specific parasite proteins.|The interaction of artemisinin with red cell membranes.|Treatment of acute, uncomplicated, falciparum malaria with oral dihydroartemisinin.|In vitro stage-specific sensitivity of Plasmodium falciparum to quinine and artemisinin drugs. |
Dihydroartemisinin|Artenimol|71939-50-9|UNII-6A9O50735X|(3r,5as,6r,8as,9r,10s,12r,12ar)-decahydro-3,6,9-trimethyl-3,12-epoxy-12h-pyrano4,3-j1,2benzodioxepin-10-ol|81496-82-4|GNF-PF-5634|6A9O50735X|(3R,5aS,6R,8aS,9R,10S,12R,12aR)-Decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano4,3-j-1,2-benzodioxepin-10-ol|AC1MHD7P|GTPL9957|SCHEMBL17156483|CHEBI:135921|MolPort-035-868-724|HY-N0176|ZINC15449187|AKOS032949625|CS-5595|RL04744|AK128423|FT-0649320|BRD-K62213621-001-01-6|(3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-12H-3,12-epoxy1,2dioxepino4,3-iisochromen-10-ol| |
| n.a. |
natural product |
Garcinia hanburyi|Garcinia hanburryi|Garcinia morella |
Path=BCL2 pathway|BCL2L1 pathway|BIRC2 pathway|BIRC3 pathway|CCND1 pathway|ICAM1 pathway|MMP9 pathway|MYC pathway|PTGS2 pathway|RELA pathway|TRAF1 pathway|VEGFA pathway|CDC2 pathway|CDK1 pathway|CKD7 pathway|MAPK14 pathway|MAPK8 pathway|Gen=Bcl-2,Caspase|Cruzipain - Trypanosoma cruzi | Arachidonate 15-lipoxygenase - Homo sapiens | Arachidonate 15-lipoxygenase, type II - Homo sapiens | Vitamin D receptor - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | 78 kDa glucose-regulated protein - Homo sapiens | Ferritin light chain - Equus caballus | Nuclear receptor ROR-gamma - Mus musculus | Histone acetyltransferase GCN5 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Survival motor neuron protein - Homo sapiens |
Dis=Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Human umbilical vein endothelial cell|Non-small Cell Lung Cancer|Lewis Lung carcinoma |Gen=Apoptosis |
3D viewer |
Pubchem |
|
5353639 |
2752-65-0 |
CC(=CCCC1(C=CC2=C(O1)C(=C3C(=C2O)C(=O)C4=CC5CC6C4(O3)C(C5=O)(OC6(C)C)CC=C(C)C(=O)O)CC=C(C)C)C)C |
GEZHEQNLKAOMCA-XKZIYDEJSA-N |
628.30000 |
C38H44O8 |
3.7619 |
5 |
2 |
119.36 |
18.0 |
46 |
4 |
General gambogic acids inhibited growth of human hepatoma SMMC-7721 cells in vitro and in nude mice.|Gambogic acid inhibits proliferation of human lung carcinoma SPC-A1 cells in vivo and in vitro and represses telomerase activity and telomerase reverse transcriptase mRNA expression in the cells.|Anticancer effect and apoptosis induction of gambogic acid in human gastric cancer line BGC-823.|A role for transferrin receptor in triggering apoptosis when targeted with gambogic acid.|Inhibition of human telomerase reverse transcriptase gene expression by gambogic acid in human hepatoma SMMC-7721 cells.|Toxicological studies of gambogic acid and its potential targets in experimental animals. |
gambogic acid|Guttatic acid|Cambogic acid|Guttic acid|2752-65-0|Beta-Guttiferrin|B"-Guttiferrin|Beta-Guttilactone|b-Guttilactone|b-Guttiferin|a-Gambogic acid|Spectrum5_000681|BSPBio_002493|SPECTRUM200007|CHEMBL1477081|SCHEMBL13613351|HMS503K21|1,51,5-Methano-1H,3H,11H-furo(3,4-G)pyrano(3,2-B)xanthene-1-crotonic acid|HMS1923E05|CCG-38659|AKOS027470103|SDCCGMLS-0066458.P001|IDI1_001020|NCGC00095237-01|NCGC00095237-02|NCGC00095237-03|752G650| |
| Caffeic Acid |
bioactive compound |
Plantago major|Hedeoma drummondii|Inonotus obliquus|Euonymus alatus |Punica granatum| |
Path=NFKB6 pathway|MMP2 pathway|MMP9 pathway|NFKB1 pathway|Gen=Others |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|Gen=Others |
3D viewer |
Pubchem |
1XV5 6C7Q 6BJ6 6BJ7 |
689043 |
331-39-5 |
C1=CC(=C(C=C1C=CC(=O)O)O)O |
GCTFYNLEUZVUTG-UHFFFAOYSA-M |
180.16000 |
C9H8O4 |
1.443 |
1 |
2 |
77.80 |
2.0 |
13 |
|
Caffeic acid is a hydroxycinnamic acid, a naturally occurring organic compound. |
N/A |
| n.a. |
natural product |
Isodon rubescens|Rabdosia rubescens|Rubia cordifolia |
Path=BCL2 pathway|CCNB1 pathway|CDK1 pathway|DFFA pathway|EGFR pathway|PARP1 pathway|SIRT1 pathway|AIFM1 pathway|BAX pathway|CASP3 pathway|CASP8 pathway|CYCS pathway|FADD pathway|JUND pathway|MAPK14 pathway|NFKB1 pathway|FAS pathway|SREBF1 pathway|Gen=Others |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Gen=Others |
3D viewer |
Pubchem |
|
3576890 |
28957-04-2 |
CC1(CCC(C23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)O)C |
SDHTXBWLVGWJFT-UHFFFAOYSA-N |
364.19000 |
C20H28O6 |
-1.9745 |
6 |
4 |
107.22 |
6.0 |
26 |
3 |
Oridonin induced A375-S2 cell apoptosis via bax-regulated caspase pathway activation, dependent on the cytochrome c/caspase-9 apoptosome.|Oridonin induces apoptosis of HeLa cells via altering expression of Bcl-2/Bax and activating caspase-3/ICAD pathway.|Anti-proliferation effect of oridonin on HL-60 cells and its mechanism.|Antiproliferation effects of oridonin on HL-60 cells.|Oridonin induces a caspase-independent but mitochondria- and MAPK-dependent cell death in the murine fibrosarcoma cell line L929.|Cytochrome c release from oridonin-treated apoptotic A375-S2 cells is dependent on p53 and extracellular signal-regulated kinase activation. |
Oridonin|ISODONOL|Rubescensin A|28957-04-2|MLS003115310|AC1MS0VA|CHEMBL1980693|SCHEMBL13533177|CO0038|AKOS032949870|MCULE-7462771499|SMR001830890|FT-0654913|I06-0426|1,5,6,14-tetrahydroxy-4,4-dimethyl-8-methylenedecahydro-1H-6,11b-(epoxymethano)-6a,9-methanocycloheptaanaphthalen-7(8H)-one|28957-10-0| |
| Mercaptopurine (6-MP) |
bioactive compound |
Origanum dictamnus|allium porrum|Entada africana|Lantana fucata |
Gen=DNA/RNA Synthesis|Cellular tumor antigen p53 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Transcriptional regulator ERG - Homo sapiens | Androgen Receptor - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | Cyclooxygenase-1 - Homo sapiens | Solute carrier family 22 member 8 - Rattus norvegicus | Lysine-specific demethylase 4D-like - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Survival motor neuron protein - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Lysine-specific demethylase 4A - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Purine nucleoside phosphorylase - Mycobacterium tuberculosis |Org= Mycobacterium avium subsp. paratuberculosis | Plasmodium falciparum | Escherichia coli | Leishmania amazonensis | Bacillus anthracis | Mycobacterium avium |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Non-small Cell Lung Cancer|Bronchioalveolar Carcinoma|Gen=DNA Damage |
3D viewer |
Pubchem |
5F2R 5CA1 1G3R 5XI7 |
667490 |
50-44-2 |
C1=NC2=C(N1)C(=S)N=CN2 |
GLVAUDGFNGKCSF-UHFFFAOYSA-N |
152.18000 |
C5H4N4S |
0.367 |
2 |
2 |
85.20 |
0.0 |
10 |
2 |
Mercaptopurine is a widely used antileukemic agent and immunosuppressive drug that inhibits de novo purine synthesis through incorporation of thiopurine methyltransferase metabolites into DNA and RNA. |
N/A |
| Alpha-Mangostin |
bioactive compound |
Garcinia mangostana|Garcinia cowa|Mangifera indica|Garcinia morella|Aplidium tabascum|Scleronephthya pallida|Serpocaulon triseriale|Actinopyga agassizi|Nicotiana sylvestris|Aster bellidiastrum|Arcyria denudata|Streptomyces alboniger|Wibelia divaricata|Senecio vellereus|Leptogorgia sarmentosa|Poria selecta|Lonicera hypoleuca|Dolomiaea souliei|Myelochroa aurulenta|Trametes cinnabarina|Garcinia fusca|Chromatium okenii|Eucalyptus camaldulensis|Pentadesma butyracea|Illicium difengpi|Garcinia staudtii|Garcinia dulcis|Cratoxylum cochinchinense|Halimodendron halodendron |
Gen=Others|Arachidonate 12-lipoxygenase - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Sialidase - Clostridium perfringens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | Nuclear factor NF-kappa-B p65 subunit - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Nuclear factor NF-kappa-B p105 subunit - Homo sapiens | Cytochrome P450 19A1 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Tumor necrosis factor receptor superfamily member 10B - Homo sapiens | Cruzipain - Trypanosoma cruzi | Neutral sphingomyelinase - Homo sapiens | Sphingomyelin phosphodiesterase - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | Fatty acid synthase - Homo sapiens |Org= Staphylococcus aureus | Fusarium oxysporum f. sp. vasinfectum | Pseudomonas aeruginosa | Mycobacterium tuberculosis | Alternaria tenuis | Plasmodium falciparum | Plasmodium falciparum (isolate FcB1 / Columbia) | Drechslera | Bacillus cereus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Prostate Cancer|Prostate Adenocarcinoma|Gen=Others |
3D viewer |
Pubchem |
4Y9B 4Y9C |
5281650 |
6147-11-1 |
CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C(=C(C=C3O2)O)OC)CC=C(C)C)O)C |
GNRIZKKCNOBBMO-UHFFFAOYSA-N |
410.46000 |
C24H26O6 |
5.935 |
3 |
3 |
96.20 |
5.0 |
30 |
3 |
Alpha-mangostin is the main xanthone purified from mangosteen and has health promoting benefits including anti-bacterial, anti-inflammatory, anti-oxidant, anti-cancer and cardioprotective activities. |
N/A |
| Scutellaric Acid |
natural product |
Kalopanax pictus|Diospyros kaki|Scutellaria lateriflora|Coussarea brevicaulis |
Gen=Others |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Gen=Others |
3D viewer |
Pubchem |
|
12302571 |
102919-76-6 |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1)C)C(=O)O)C |
PGOYMURMZNDHNS-JZLUYQONSA-N |
472.36000 |
C30H48O4 |
1.0391 |
4 |
3 |
77.76 |
11.0 |
34 |
5 |
|
Scutellaric acid|UNII-GKB52TAX5N|102919-76-6|GKB52TAX5N|CHEMBL492472|3alpha,24-Dihydroxyolean-12-en-28-oic acid|24-hydroxy-3-epi-oleanolic acid|MolPort-035-706-386|BDBM50253118|ZINC40951974|W2512| |
| Caryophyllene |
natural product |
Satureja hortensis|Satureja montana|Platycladus orientalis|Vitex trifolia|Magnolia sprengeri|Chrysanthemum x morifolium|Nardostachys chinensis|Mentha arvensis|Cinamomum cassia|Rhododendri daurici folium|Mentha canadensis|Cinnamomum aromaticum|Moslae herba|Mosla chinensis|Citrus aurantium|Vincetoxicum glaucescens|Farfarae flos|Murraya exotica|Citrus medica|Cynanchum stauntoni|Ardisiae japonicae herba|Murraya paniculata|Citrus natsudaidai|Vincetoxicum stauntonii|Ailanthi cortex|Myristica fragrans|Citrus reticulata|Elettaria cardamomum|Fritillariaeussuriensis bulbus|Panax ginseng|Citrus sinensis|Elsholtzia ciliata|Cnidii fructus|Panax notoginseng|Citrus unshiu|Syzygium aromaticum|Houttuyniae herba|Panax quinquefolius|Curcuma kwangsiensis|Euodia bodinieri|Kadsurae coccineae radix et caulis|Perilla frutescens|Curcuma longa|Curcuma phaeocaulis|Euodia officinalis|Anisi stellati fructus|Piper cubeba|Curcuma wenyujin|Euodia ruticarpa|Aristolochiae fructus|Curcuma zedoaria|Tetradium ruticarpum|Centipedae herba|Pogostemon cablin|Ferula assafoetida|Panacis quinquefolii radix|Citrus trifoliata|Schisandra chinensis|Ferula fukanensis|Cinnamomi ramulus|Scutellaria barbata|Ferula sinkiangensis|Piperis longi fructus|Agastache rugosa|Thymus quinquecostatus|Foeniculum vulgare|Agrimonia pilosa|Thymus vulgaris|Houttuynia cordata|Amomum longiligulare|Vitex negundo|Humulus lupulus|Amomum villosum|Dolomiaea souliei|Hypericum perforatum|Amomum xanthioides|Zanthoxylum bungeanum|Illicium difengpi|Illicium verum|Artemisia annua|Laggera pterodonta|Artemisia apiacea|Leonurus japonicus|Zanthoxylum piperitum|Artemisia argyi|Litsea cubeba|Zanthoxylum schinifolium|Artemisia capillaris|Magnolia biondii|Zingiber officinale|Artemisia montana|Magnolia denudata|Ziziphus jujuba|Artemisia princeps|Euphorbia sessiliflora|Magnolia kobus|Nardostachys jatamansi|Atractylodes chinensis|Catha cassinoides|Magnolia obovata|Atractylodes lancea|Webera corymbosa|Magnolia officinalis|Sagittaria sagittifolia|Saussurea costus|Homo sapiens|Magnolia salicifolia|Chrysanthemum indicum |
Org=Salmonella typhimurium | Corynebacterium ammoniagenes | Escherichia coli O157:H7 | Vibrio parahaemolyticus | Bacillus cereus | Bacillus subtilis | Staphylococcus aureus | Propionibacterium acnes | Listeria monocytogenes |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Kidney Cancer|Renal Cell Adenocarcinoma|Melanoma|Amelanotic melanoma|Org=Salmonella typhimurium | Corynebacterium ammoniagenes | Escherichia coli O157:H7 | Vibrio parahaemolyticus | Bacillus cereus | Bacillus subtilis | Staphylococcus aureus | Propionibacterium acnes | Listeria monocytogenes |
3D viewer |
Pubchem |
|
5281522 |
No Cas |
CC1=CCCC(=C)C2CC(C2CC1)(C)C |
NPNUFJAVOOONJE-FLFDDASRSA-N |
204.19000 |
C15H24 |
3.2289 |
0 |
0 |
0.00 |
3.0 |
15 |
2 |
Anti-inflammatory constituents of topically applied crude drugs. IV. Constituents and anti-inflammatory effect of Paraguayan crude drug 'alhucema' (Lavandula latifolia Vill.).|A cDNA clone for beta-caryophyllene synthase from Artemisia annua.|The rice (E)-beta-caryophyllene synthase (OsTPS3) accounts for the major inducible volatile sesquiterpenes.|Anti-inflammatory effects of compounds alpha-humulene and (-)-trans-caryophyllene isolated from the essential oil of Cordia verbenacea.|Insecticidal properties of essential oils from Lippia turbinata and Lippia polystachya (Verbenaceae) against Culex quinquefasciatus (Diptera: Culicidae).|A validated HPTLC method for determination of trans-caryophyllene from polyherbal formulations. |
Isocaryophyllene|Caryophyllene|UNII-NRY8I0KNIR|beta-Caryophyllen|gamma-caryophyllene|118-65-0|(-)-ISOCARYOPHYLLENE|Caryophyllene (VAN)|NRY8I0KNIR|beta-Caryophyllene (natural)|L-Caryophyllene|FEMA No. 2252|CHEBI:5993|Cis-caryophyllene|NPNUFJAVOOONJE-FLFDDASRSA-N|87-44-5|trans-Caryophyllene|EINECS 201-746-1|NSC 11906|AI3-36121|2-Methylene-6,10,10-trimethylbicyclo(7.2.0)undec-5-ene|8-Methylene-4,11,11-(trimethyl)bicyclo(7.2.0)undec-4-ene|C15H24|(1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo7.2.0undec-4-ene|4,11,11-Trimethyl-8-methylenebicyclo(7.2.0)undec-4-ene, (1R-(1R*,4E,9S))-|.beta.-cis-Caryophyllene|UNII-BHW853AU9H|BHW853AU9H|g-Caryophyllene|E-Caryophyllene|Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4E,9S)-|Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4Z,9S)-|Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R-(1R*,4E,9S*))-|Bicyclo(7.2.0)undec-4-ene, 8-methylene-4,11,11-trimethyl-, (E)-(1R,9S)-(-)-|CARYOPHYLLENE ,ALPHA + BETA MIXT.|EINECS 204-267-6|(-)--caryophyllene|(-)-E-Caryophyllene|AC1NQYKS|4,11,11-Trimethyl-8-methylenebicyclo7.2.0undec-4-ene #|CCRIS 8094|CHEMBL448700|MolPort-000-002-651|ZINC30726969|LMPR0103120002|LS-1865|CARYOPHYLLENE ,ALPHA + BETA MIXT|caryophyllene, (R-(R*,4E,9S))-isomer|C09691|Beta-Caryophyllene 1000 microg/mL in Isopropanol|(1beta,9alpha)-4,11,11-Trimethyl-8-methylenebicyclo7.2.0undeca-4-ene|(1R-(1R*,4Z,9S*))-4,11,11-Trimethyl-8-methylenebicyclo(7.2.0)undec-4-ene|. E(1/2)-(1R,9S)-8-NC(1/4)x>>u-4,11,11-Ey(1/4)x>>u paragraph signthorn>>.7.2.0E(R)O>>Ie-4-I(c)|1233519-47-5|1407-53-0|8007-38-3| |
| Enemin |
natural product |
Isodon sculponeatus|Rabdosia japonica|Meloidogyne incognita|Arctotheca calendula|Psydrax livida|Daphniphyllum calycinum|Crotalaria laburnifolia|Ozothamnus obcordatus|Boletus bovinus|Quercus pedunculata|Isodon oresbia|Isodon japonica|Isodon eriocalyx|Enhydra fluctuans|Lsodon japonica|Lsodon oresbia|Isodon trichocarpa|Isodon serra|Xylosalsola arbuscula|Melampodium argophyllum|Elaeagnus orientalis|Cereus stellatus|Danae racemosa|Carcinus maenas|Urceolaria scruposa|Crematogaster brevis |
|
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Melanoma|Murine Melanoma |
3D viewer |
Pubchem |
|
352542 |
3776-39-4 |
CC1(C(CC2C3(C1C(OC3)O)C4CCC5CC4(C(=O)C5=C)C(=O)O2)O)C |
MQOJPNKACWKUGI-CDKPERABSA-N |
362.17000 |
C20H26O6 |
-0.627 |
6 |
2 |
93.06 |
4.0 |
26 |
5 |
Enmein-type diterpenoids from the aerial parts of Isodon rubescens and their cytotoxicity.|Enmein-type diterpenoid analogs from natural kaurene-type oridonin: Synthesis and their antitumor biological evaluation. |
Enmein|3776-39-4|CHEBI:70378|Enemin|NSC526961|AC1L70K3|CHEMBL453801|ZINC4097892|NSC-526961|C09090 |
| Vibsanin R |
natural product |
Viburnum awabuki|Miscanthus sacchariflorus|Narcissus pseudonarcissus subsp. leonensis|Ulmus thomasii|Euplotes rariseta|Isodon nervosus|Fasciospongia rimosa|Lecanora melanophthalma|Heliotropium europaeum|Urechis caupo|Centaurium pulchellum|Byssovorax cruenta|Ficus ruficaulis|Achillea roseoalba|Lonicera fulvotomentosa|Berberis japonica|Isodon xerophilus|Ruta bracteosa|Strychnos angustiflora|Pericopsis schliebenii|Citrus trifolia|Crassocephalum crepidioides|Agave rigidissima|Lonchocarpus oaxacensis|Elysia grandifolia|Aspergillus aculeatus|Engelhardia spicata |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
11258097 |
No Cas |
CC(=CC(=O)OC1C=CC(CC=C(CCC2C1(O2)C)CO)(C)CC=CC(=C)C)C |
CZECWCCJJGKHQY-HFHNTLNYSA-N |
400.26000 |
C25H36O4 |
3.8601 |
4 |
1 |
59.06 |
13.0 |
29 |
2 |
|
|
| n.a. |
natural product |
Daphne genkwa |
Path=BCL2 pathway|BCL2L1 pathway|BAX pathway| |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Non-small Cell Lung Cancer|Lewis Lung carcinoma |
3D viewer |
Pubchem |
|
73351913 |
55073-32-0 |
CC1C(C2(C3C4C1(C5C=C(C(=O)C5(C(C6(C4O6)CO)O)O)C)OC(O3)(O2)C7=CC=CC=C7)C(=C)C)OC(=O)C8=CC=CC=C8 |
QKMXESBAFIKRAD-MGAVNPOISA-N |
602.22000 |
C34H34O10 |
-1.0313 |
10 |
3 |
144.28 |
12.0 |
44 |
8 |
Antitumor agents LVI: the protein synthesis inhibition by genkwadaphnin and yuanhuacine of P-388 lymphocytic leukemia cells.|Antitumor agents LV: Effects of genkwadaphnin and yuanhuacine on nucleic acid synthesis of P-388 lymphocytic leukemia cells.|In vitro inhibitory effects of Daphne oleoides ssp. oleoides on inflammatory cytokines and activity-guided isolation of active constituents.|Genkwadaphnin induces reactive oxygen species (ROS)-mediated apoptosis of squamous cell carcinoma (SCC) cells.|Pharmacokinetic comparisons of six components from raw and vinegar-processed Daphne genkwa aqueous extracts following oral administration in rats by employing UHPLC-MS/MS approaches. |
|
| Barbatellarines B |
natural product |
Scutellaria barbata |
Org=Human herpesvirus 4 |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Org=Human herpesvirus 4 |
3D viewer |
Pubchem |
|
46225292 |
No Cas |
CC1=CCCC2C1(C(C(C(C2(C)C(CC3=CC(=O)OC3)OC(=O)C)(C)O)OC(=O)C4=CC=CC=C4)OC(=O)C5=CN=CC=C5)C |
MCLQCMZKRLWBGH-MJBSQTHJSA-N |
617.26000 |
C35H39NO9 |
1.267 |
10 |
1 |
138.32 |
17.0 |
45 |
5 |
|
|
| Isopicrodeoxypodophyllotoxin |
natural product |
Hernandia nymphaeifolia|Hernandia peltata|Pulsatilla koreana|Dysosma versipellis|Bridelia ferruginea|Thuja occidentalis |
Ornithine decarboxylase - Mus musculus |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Melanoma|malignant melanoma|Murine Melanoma|Non-small Cell Lung Cancer|large cell carcinoma|Lewis Lung carcinoma |Lung Epithelial Carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma |
3D viewer |
Pubchem |
|
9978176 |
No Cas |
COC1=CC(=CC(=C1OC)OC)C2C3C(CC4=CC5=C(C=C24)OCO5)COC3=O |
ZGLXUQQMLLIKAN-QTJFZDIUSA-N |
398.14000 |
C22H22O7 |
-0.6687 |
2 |
0 |
72.45 |
7.0 |
29 |
5 |
Antineoplastic agents. 536. New sources of naturally occurring cancer cell growth inhibitors from marine organisms, terrestrial plants, and microorganisms(1a,). |
|
| n.a. |
natural product |
Satureja hortensis|Satureja montana|Amaioua guianensis|Senecio othonniformis|Santolina rosmarinifolia|Marsypianthes chamaedrys|Venidium hirsutum|Ochrocarpos odoratus|Mucuna sloanei|Hyacinthoides hispanica|Pittosporum viridiflorum|Calophyllum inophyllum|Streptomyces bobili|Anthemis cretica|Betula maximowicziana|Rothmannia urcelliformis|Turnera diffusa|Bugula neritina|Myelochroa rhytidodes|Leuconostoc mesenteroides|Sphaeria doliolum|Euphorbia balsamifera|Lophozia ventricosa|Incarvillea emodi|Parmelia leucotyliza|Pinus sitchensis|Enicosanthum cupulare|Conyza filaginoides|Nephthea erecta|Chrysosplenium oppositifolium|Iris potaninii|Mycale laxissima|Colubrina greggii|Helicoverpa armigera|Hygrophila polysperma|Baccharis eggersii|Berchemia floribunda|Pseudotaxus chienii|Mcneillia graminifolia|Lamium maculatum|Epimedium sagittatum|Antiphiona pinnatisecta|Erythrina sandwicensis|Theonella cupola|Senecio coahuilensis|Purpureocillium lilacinum|Nepeta cadmea|Plexaurella grisea|Tritomaria quinquedentata|Streptomyces avellaneus|Notholaena peninsularis|Guatteria leiophylla|Arnica sachalinensis|Eriogonum nudum|Sphaeria biglobosa|Channa argus|Agathosma betulina|Swertia decora|Calanthe arisanensis|Agave xylonacantha|Roldana barba-johannis|Pseudocedrela kotschyi|Pseudocyclosorus subochthodes|Lycopodium japonicum|Maackia tashiroi|Bazzania tridens|Oligonychus bessardi|Tium alpinum|Stephania micrantha|Choisya arizonica|Baccharis santelicis|Serratula xeranthemoides|Baccharis alaternoides|Laurencia decumbens|Vicoa vestita|Senecio pauciligulatus|Sinularia manaarensis|Bonnemaisonia hamifera|Hepialus hecta|Lepia marginata|Nervilia fordii|Punctelia microsticta|Veratrum eschscholtzii|Afrocarpus gracilior|Aglaia lawii |
Gen=Others|Cytochrome P450 2C19 - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens|Cruzipain - Trypanosoma cruzi|Org=Giardia intestinalis | Entamoeba histolytica |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Gen=Others |
3D viewer |
Pubchem |
|
9991037 |
No Cas |
CC1(CC2C1CCC3(C(O3)CCC2=C)C)C |
NVEQFIOZRFFVFW-BHPKHCPMSA-N |
220.18000 |
C15H24O |
1.9144 |
1 |
0 |
12.53 |
3.0 |
16 |
3 |
|
|
| Vibsanin W |
natural product |
Viburnum awabuki |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
10411484 |
No Cas |
CC(=CC(=O)OC=CC1C(C(=O)C(=CCC1(C)CCC(C(C)(C)O)O)CO)CC(=O)C)C |
QITBJTPHBLIQAN-SGVLUOOISA-N |
450.26000 |
C25H38O7 |
0.3611 |
7 |
3 |
121.13 |
20.0 |
32 |
1 |
|
|
| Pseudolaric Acid B |
natural product |
Pseudolarix kaempferi|Pseudolarix kaempferi (lindl) gorden|Dacrydium comosum|Turnera angustifolia|Sclerocarya birrea|Chrysanthemum ornatum|Hibiscus vitifolius|Bipolaris oryzae|Gastrodia elata|Plumeria acutifolia|Pelophylax nigromaculatus|Pedalium murex|Delia paludosa|Pseudolarix amabilis|Aloe perryi |
Path=BCL2 pathway|CASP3 pathway|CDKN1A pathway|PTPN13 pathway|TP53 pathway|BCL2L1 pathway|BAX pathway|Org=Candida tropicalis | Mycobacterium intracellulare | Candida albicans | Candida parapsilosis | Trichophyton rubrum | Aspergillus fumigatus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Carcinoma Papilloma |Colorectal Cancer|ileocecal colorectal adenocarcinoma |Gastrointestinal Cancer|Gastric carcinoma|Melanoma|malignant melanoma|Non-Hodgkin's Lymphomas|murine lymphoma|Org=Candida tropicalis | Mycobacterium intracellulare | Candida albicans | Candida parapsilosis | Trichophyton rubrum | Aspergillus fumigatus |
3D viewer |
Pubchem |
|
6475943 |
82508-31-4 |
CC(=CC=CC1(C2CCC3(C2(CCC(=CC3)C(=O)OC)OC(=O)C)C(=O)O1)C)C(=O)O |
VDGOFNMYZYBUDT-YDRCMHEVSA-N |
432.18000 |
C23H28O8 |
1.4043 |
8 |
1 |
116.20 |
12.0 |
31 |
3 |
The cytotoxic principles of Pseudolarix kaempferi: pseudolaric acid-A and -B and related derivatives.|Antifungal evaluation of pseudolaric acid B, a major constituent of Pseudolarix kaempferi.|Pseudolaric acid analogs as a new class of peroxisome proliferator-activated receptor agonists.|A tandem metal carbene cyclization-cycloaddition approach to the pseudolaric acids.|Pseudolarix acid B inhibits angiogenesis by antagonizing the vascular endothelial growth factor-mediated anti-apoptotic effect.|Pseudolaric acid B induces apoptosis via activation of c-Jun N-terminal kinase and caspase-3 in HeLa cells. |
Pseudolaric acid B|82508-31-4|(-)-Pseudolaric acid B|CHEMBL218534|SCHEMBL16426061|EX-A680|MolPort-020-392-496|HMS3648B11|ZINC5767600|AKOS030573539|(2E,4E)-5-(acetoxy-methoxycarbonyl-methyl-oxo-?yl)-2-methyl-penta-2,4-dienoic acid|(2E,4E)-5-((3R,4S,4aS,9aR)-4a-acetoxy-7-(methoxycarbonyl)-3-methyl-1-oxo-3,4,4a,5,6,9-hexahydro-1H-4,9a-ethanocycloheptacpyran-3-yl)-2-methylpenta-2,4-dienoic acid|(2E,4E)-5-(7S,1R,8R)-7-Acetyloxy-4-(methoxycarbonyl)-9-methyl-10-oxa-11-oxotricyclo6.3.2.0<1,7>tridec-3-en-9-yl-2-methylpenta-2,4-dienoic acid|1H-4,9a-Ethanocycloheptacpyran-7-carboxylicacid,4a-(acetyloxy)-3-(1E,3E)-4-carboxy-1,3-pentadien-1-yl-3,4,4a,5,6,9-hexahydro-3-methyl-1-oxo-,7-methyl ester, (3R,4S,4aS,9aR)-| |
| n.a. |
natural product |
Artemisia annua|Artemisia apiacea |
Path=KDR pathway|VEGFA pathway|Gen=STAT|antiparasitic|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus |Org= Plasmodium berghei | Plasmodium falciparum | Plasmodium falciparum (isolate K1 / Thailand) | Plasmodium falciparum NF54 | Plasmodium vinckei petteri | Toxoplasma gondii RH | Plasmodium vivax | Plasmodium falciparum 3D7 | Trypanosoma brucei brucei | Plasmodium malariae | Plasmodium yoelii nigeriensis | Plasmodium yoelii | Fasciola hepatica | Human herpesvirus 5 strain AD169 | Schistosoma mansoni | Echinococcus multilocularis | Schistosoma japonicum |
Dis=Acute Myeloid Leukemia|Acute Myeloid Leukemia|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Ovarian Cancer|Epithelial Ovarian Cancer |Uterine Neoplasms|Choriocarcinoma|Gen=JAK/STAT |
3D viewer |
Pubchem |
|
105031 |
No Cas |
CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC(=O)CCC(=O)O)C |
FIHJKUPKCHIPAT-UHFFFAOYSA-N |
384.18000 |
C19H28O8 |
0.4477 |
8 |
1 |
100.52 |
9.0 |
27 |
3 |
Decreased sensitivity of artesunate and chloroquine of Plasmodium falciparum infecting hemoglobin H and/or hemoglobin constant spring erythrocytes.|Antimalarial agents, 2. Artesunate, an inhibitor of cytochrome oxidase activity in Plasmodium berghei.|Efficacy and tolerability of a sequential, artesunate suppository plus mefloquine, treatment of severe falciparum malaria.|Serum concentrations of MIP-1 alpha and interleukin-8 in patients suffering from acute Plasmodium falciparum malaria.|Effects of qinghaosu (artemisinin) and its derivatives on experimental cutaneous leishmaniasis.|Artesunate. A review of its pharmacology and therapeutic efficacy in the treatment of malaria. |
Artesunate|Dihydroqinghaosusuccinate|AC1L2XWW|CHEMBL1967249|SCHEMBL12922911|NSC712571|API0001542|MCULE-1229071455|NSC-712571|NCI60_039350|I06-0204| |
| 3,7,11-Trimethyldodeca-1,6,10-Trien-3-Ol |
natural product |
Satureja montana|Comptonia peregrina|Dalbergia odorifera|Elettaria cardamomum|Elsholtzia ciliata|Foeniculum vulgare|Ginkgo biloba|Hypericum perforatum|Illicium verum|Laggera pterodonta|Acorus calamus|Lindera aggregata|Lindera strichnifolia|Artemisia argyi|Lobelia chinensis|Artemisia capillaris|Lonicera japonica|Artemisia montana|Mentha arvensis|Artemisia princeps|Mentha canadensis|Saussurea costus|Mosla chinensis|Bupleurum chinense|Panax ginseng|Bupleurum falcatum|Bupleurum scorzonerifolium|Panax notoginseng|Capsicum annuum|Panax quinquefolius|Senna alexandrina|Perilla frutescens|Chrysanthemum zawadskii|Piper nigrum|Actaea dahurica|Prunella vulgaris|Actaea cimicifuga|Schisandra chinensis|Actaea heracleifolia|Vitex negundo|Actaea simplex|Dolomiaea souliei|Cinamomum cassia|Zanthoxylum bungeanum|Cinnamomum aromaticum|Zanthoxylum piperitum|Citrus aurantium|Citrus maxima|Curcuma kwangsiensis|Zanthoxylum schinifolium|Curcuma longa|Zingiber officinale|Curcuma phaeocaulis|Curcuma wenyujin |
|
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma |
3D viewer |
Pubchem |
4MC3 |
8888 |
7212-44-4 |
CC(=CCCC(=CCCC(C)(C=C)O)C)C |
FQTLCLSUCSAZDY-UHFFFAOYSA-N |
222.20000 |
C15H26O |
3.7014 |
1 |
1 |
20.23 |
12.0 |
16 |
0 |
Inhibition of azoxymethane-induced neoplasia of the large bowel by 3-hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene (nerolidol).|Characterization of the isoprenoid chain of coenzyme Q in Plasmodium falciparum.|Activity and mechanisms of action of selected biocidal agents on Gram-positive and -negative bacteria.|Differential timing of spider mite-induced direct and indirect defenses in tomato plants.|Jasmonic acid is a key regulator of spider mite-induced volatile terpenoid and methyl salicylate emission in tomato.|Antileishmanial activity of the terpene nerolidol. |
NEROLIDOL|Stirrup|7212-44-4|3,7,11-Trimethyldodeca-1,6,10-trien-3-ol|(+)-Nerolidol|Peruviol|1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-|(Z)-Nerolidol|142-50-7|FQTLCLSUCSAZDY-UHFFFAOYSA-N|1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3S,6E)-|1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3S,6Z)-|dextro-nerolidol|Humbertiol?|(+/-)-Nerolidol|Spectrum_001222|SpecPlus_000303|AC1L1RVY|Spectrum2_001507|Spectrum3_001539|Spectrum4_001720|ACMC-1BP9D|DSSTox_CID_2247|DSSTox_RID_76528|DSSTox_GSID_22247|KBioGR_002080|KBioSS_001702|KSC175G6D|DivK1c_006399|SPBio_001553|CHEMBL3182436|DTXSID3022247|CTK0H5361|KBio1_001343|KBio2_001702|KBio2_004270|KBio2_006838|KBio3_002458|Tox21_301382|MCULE-1929267041|NCGC00255198-01|NCGC00344526-01|4CN-2161|AN-19344|SY048853|CAS-7212-44-4|FT-0623906|FT-0773978|MFCD00008911 (97%)| |
| 3Alpha-Hydroxyurs-12-En-28-Oic Acid |
natural product |
Origanum dictamnus|Plantago asiatica|Crataegus pinnatifida|Scrophularia ningpoensis|Prunus dulcis|Vaccinium macrocarpon|Rosmarinus officinalis|Ficus microcarpa|Aralia decaisneana|Eriobotrya japonica|Pygeum africanum|calceolaria pinifolia|Piper aequale|Isodon loxothyrsus|Viscum coloratum|Diospyros tricolor|Acrocomia sclerocarpa|Eriostemon deserti|Streptomyces roseoviolaceus|Brugmansia arborea|Abrus pulchellus subsp. cantoniensis|Senecio scandens|Alkanna hirsutissima|Ruta oreojasme|Monascus purpureus|Rhododendron barbatum|Clutia richardiana|Drypetes roxburghii|Melaleuca uncinata|Shigella flexneri|Avrainvillea nigricans|Mentha pulegiformis|Calea megacephala|Halopitys incurvus|Lecanora lividocinerea|Abies nobilis|Cordyline indivisa|Vinca major|Grindelia nana|Formica fusca|Picris radicata|Vitex trifolia|Bambusa chungii|Polyphaga sinensis|Rodgersia podophylla|Drymonia macrophylla|Schisandra lancifolia|Cremastra appendiculata|Hakea saligna|Gynura elliptica|Amsinckia menziesii|Jasminum grandiflorum|Urtica fissa|Psittacanthus cucullaris|Buddleja variabilis|Pinus picea|Didemnum inarmatum|Disepalum plagioneurum|Dipodium punctatum|Ostrinia nubilalis|Aromadendron elegans|Delphinium campylocentrum|Haloxylon salicornicum|Glenodinium halli|Relbunium atherodes|Gentiana pyrenaica|Bursatella leachi|Pycnocoma cornuta|Vallaris solanacea|Lesquerella auriculata|Laurencia caraibica|Osmundaria colensoi|Dacrydium biforme|Primula hirsuta|Leucanthemum maximum|Persea indica|Nephroma australe|Corydalis cornuta|Smenospongia echina|Coronophora gregaria|Scapania nemorea|Corynebacterium ammoniagenes|Viscum album|Relicina connivens|Fagara rubescens|Rhododendron ferrugineum|Dendrobates truncatus|Phegopteris bukoensis|Streptomyces coeruleorubidus|Leptothorax acervorum|Streptomyces misawanensis|Gloxinia erinoides|Eremophila serrulata|Salvia nubicola |
Path=CHUK pathway|IKBKB pathway|IL1B pathway|MMP9 pathway|NFKB1 pathway|TNF pathway|NFKBIA pathway|none|PTGS2 pathway|PARP1 pathway|MMP2 pathway|AR pathway|Gen=Others|Glycogen phosphorylase, muscle form - Oryctolagus cuniculus |Org= Staphylococcus aureus | Bacillus subtilis |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Mouse Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Bladder Cancer|Bladder carcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioma|Cervical Cancer|Cervical Carcinoma Papilloma |Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|Nasopharyngeal carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Hepatoma|Melanoma|Murine Melanoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Non-small Cell Lung Cancer|Bronchioalveolar Carcinoma|Lung Epithelial Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|Gen=Others |
3D viewer |
Pubchem |
5K3M 5X8S |
7163177 |
3-epi-ursolic acid |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O |
WCGUUGGRBIKTOS-XHINXETDSA-N |
456.36000 |
C30H48O3 |
1.4838 |
3 |
2 |
57.53 |
10.0 |
33 |
5 |
Inhibition of lipoxygenase activity and HL60 leukemic cell proliferation by ursolic acid isolated from heather flowers (Calluna vulgaris).|Inhibition of human leucocyte elastase by ursolic acid. Evidence for a binding site for pentacyclic triterpenes.|Search for possible antitumor promoters by inhibition of 12-O-tetradecanoylphorbol-13-acetate-induced Epstein-Barr virus activation; ursolic acid and oleanolic acid from an anti-inflammatory Chinese medicinal plant, Glechoma hederaceae L.|Inhibitory effects of ursolic and oleanolic acid on skin tumor promotion by 12-O-tetradecanoylphorbol-13-acetate.|Anti-angiogenic activity of triterpene acids.|Anti-invasive activity of ursolic acid correlates with the reduced expression of matrix metalloproteinase-9 (MMP-9) in HT1080 human fibrosarcoma cells. |
3-epiursolic acid|989-30-0|CHEMBL491715|3-epi-ursolic acid|AC1OG92I|SCHEMBL19714770|MolPort-039-338-864|BDBM50346612|ZINC12890906|989E300|(1S,2R,4aS,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid| |
| Catechin Gallate |
natural product |
Diospyros kaki|Sophora angustifolia|Isaria felina|Naja kaouthia|Justicia paniculata|Salvia parryi|Khaya senegalensis|Grewia mollis|Salvia dorrii|Cassia kleinii|Bergenia crassifolia var. cordifolia|Gardenia jasminoides|Quercus robur|Dendrodoris tuberculosa|Kaempferia marginata|Keiferia lycopersicella|Senecio callosus|Detarium microcarpum|Capnoides sempervirens|Aframomum amaniense|Sextonia rubra|Ruta pinnata|Phoenix loureiroi|Trichilia rubescens|Oncoba echinata|Psora corallina|Cystophora scalaris|Penicillium kapuscinskii|Khaya ivorensis|Euryops algoensis|Iris ensata|Jacobaea aquatica|Lotus japonicus|Gossypium indicum|Ixeris stolonifera|Streptomyces paulus|Turpinia ternata|Virola multinervia|Bacillus subtilis|Aspergillus unguis|Eragrostis viscosa|Cleome chrysantha|Viburnum urceolatum|Heterotheca grandiflora|Rubrivivax gelatinosus|Stevia polycephala|Cerinthe minor|Amaroria soulameoides|Alectoria divergens|Coccus ilicis|Elephantopus mollis|Litsea pungens|Senecio renardii|Aaptos aaptos|Melaleuca rhaphiophylla|Aconitum nevadense|Conocephalum japonicum|Cordylanthus kingii|Mangifera indica|Petasites georgicus|Penicillium paxilli|Ageratina dendroides|Narcissus concolor|Thymus piperella|Dermolepida albohirtum|Beilschmiedia anacardioides|Atylosia trinervia|Hypericum ascyron|Senna siamea|Craspidospermum verticillatum|Bersama yangambiensis|Crinipellis scabella|Aulacocephalus temmincki|Pieris napi|Viguiera oblongifolia|Forsteronia refracta|Teucrium depressum|Eunicella cavolinii|Castanopsis sclerophylla|Xyris pterygoblephara|Ampelopsis japonica|Leucopaxillus gentianeus|Triaenophora rupestris|Bartramia pomiformis|Kaunia saltensis|Fagopyrum dibotrys|Croton cumingii|Disynaphia halimifolia|Hovenia acerba|Ectyoplasia ferox|Rumex nepalensis|Streptomyces parvisporogenes|Polycephalomyces nipponicus|Conoideocrella luteorostrata|Streptomyces xanthochromogenes|Heliotropium floridum|Fridericia chica|Picea mariana|Annona impressivenia|Bromelia plumieri|Cedrus libani|Artemisia schimperi|Thalictrum longistylum|Aristolochia zollingeriana|Nauclea officinalis|Lupinus verbasciformis|Vateria indica|Dioscorea japonica|Rhizoma fagopyri cymosi|Ophiolepis superba|Gomortega keule|Gymnocarpium robertianum|Ilicis cornutae folium immayuri|Helianthus maximiliani|Piptadenia pervillei|Cephalaria grossheimii|Polygonum cuspidatum|Dictyopteris acrostichoides|Juglans nigra|Cornus kousa|Rheum coreanum|Parabenzoin trilobum|Nuphar lutea|Larix cajanderi|Rheum officinale|Doodia picta|Nama hispidum|Papilio phorcas|Rheum palmatum|Alseodaphne corneri|Ehretia dicksonii|Balanophora involucrata|Rheum tanguticum |
Path=ODC1 pathway|Apoptosis regulator Bcl-2 - Homo sapiens |Org= Plasmodium falciparum (isolate FcB1 / Columbia) |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Gen=Others |
3D viewer |
Pubchem |
6DHL |
5276454 |
Catechin 3-O-gallate |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
LSHVYAFMTMFKBA-PZJWPPBQSA-N |
442.09000 |
C22H18O10 |
-3.5057 |
2 |
7 |
177.14 |
11.0 |
32 |
4 |
[The inhibitory effects of catechin derivatives on the activities of human immunodeficiency virus reverse transcriptase and DNA polymerases].|[Inhibitory effect of green tea extract on promotion and related action of TPA].|Selective inhibition of steroid 5 alpha-reductase isozymes by tea epicatechin-3-gallate and epigallocatechin-3-gallate.|[The inhibitory effects of epicatechin complex on diethylnitrosamine induced initiation of hepatocarcinogenesis in rats].|Inhibitory effects of crude drug components on the proliferation of cultured human mesangial cells.|Effects of catechins on the mouse lung carcinoma cell adhesion to the endothelial cells. |
(+)-Catechin 3-Gallate|UNII-78OW2GLG8Q|Catechin 3-O-gallate|78OW2GLG8Q|CHEBI:76132|(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate|Benzoic acid, 3,4,5-trihydroxy-, (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester|catechin gallate|epicatechin-3-O-gallate|(+)-Catechin gallate|Catechin gallate, (+)-|Catechin 3-gallate|XEG|Catechin-3-Gallate|AC1NQOOM|(+)-catechin-3-o-gallate|SCHEMBL145289|CHEMBL483083|ZINC4534390|LMPK12020089|AKOS032946092|25615-05-8|(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl 3,4,5-trihydroxybenzoate|(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate|20819-16-3| |
| Myricetin |
bioactive compound |
Myrica rubra|Diospyros lotus|Hypericum perforatum| |
Path=CYP1A1 pathway|CYP1B1 pathway|Gen=MEK |
Dis=Acute Myeloid Leukemia|Basophilic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Kidney Cancer|Renal Cell Adenocarcinoma|Melanoma|Amelanotic melanoma|malignant melanoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Prostate Cancer|prostate Carcinoma|Prostate Adenocarcinoma|Gen=MAPK |
3D viewer |
Pubchem |
3HBF 1E90 2IOD 4GQR |
5281672 |
529-44-2 |
C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O |
IKMDFBPHZNJCSN-UHFFFAOYSA-N |
318.24000 |
C15H10O8 |
1.388 |
2 |
6 |
148.00 |
1.0 |
23 |
|
Myricetin, a natural flavonoid with antioxidant and anti tumor properties, is a novel inhibitor of MEK1 activity and transformation of JB6 P+ mouse epidermal cells. It also inhibits PI3K? with Kd of 0.17 ?M. |
Cannabiscetin |
| Chalcone |
natural product |
Lonchocarpus spp|Daemonorops draco|Dalbergiae odoriferae lignum|Alpinia katsumadai |
Quinone oxidoreductase - Mus musculus | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Monoamine oxidase B - Homo sapiens | Androgen Receptor - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Cyclooxygenase-2 - Mus musculus | Vitamin D receptor - Homo sapiens | Arachidonate 5-lipoxygenase - Mus musculus | Microtubule-associated protein tau - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Pyruvate kinase - Leishmania mexicana | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Cyclooxygenase-1 - Mus musculus | Prelamin-A/C - Homo sapiens | Tumor necrosis factor receptor R1 - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Nonstructural protein 1 - Influenza A virus | Thioredoxin glutathione reductase - Schistosoma mansoni | Geminin - Homo sapiens | DNA dC->dU-editing enzyme APOBEC-3G - Homo sapiens | Triosephosphate isomerase, glycosomal - Trypanosoma cruzi | ATP-dependent DNA helicase Q1 - Homo sapiens | 78 kDa glucose-regulated protein - Homo sapiens | Pancreatic alpha-amylase - Sus scrofa | DNA dC->dU-editing enzyme APOBEC-3F - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Androgen Receptor - Rattus norvegicus | Regulator of G-protein signaling 4 - Homo sapiens | Lysine-specific demethylase 4A - Homo sapiens | Butyrylcholinesterase - Homo sapiens | DNA polymerase eta - Homo sapiens |Org= Caenorhabditis elegans | Trypanosoma brucei | Leishmania infantum | Erwinia chrysanthemi | Trypanosoma cruzi | Plasmodium falciparum | Candida albicans | Entamoeba histolytica HM-1:IMSS | Leishmania amazonensis | Leishmania braziliensis | Entamoeba histolytica | Rhizoctonia solani | Pichia angusta | Leishmania donovani | Staphylococcus aureus | Saccharomyces cerevisiae | Mycobacterium tuberculosis | Athelia rolfsii | Trichophyton rubrum | Culex quinquefasciatus |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Prostate Cancer|Prostate Adenocarcinoma|Org=Caenorhabditis elegans | Trypanosoma brucei | Leishmania infantum | Erwinia chrysanthemi | Trypanosoma cruzi | Plasmodium falciparum | Candida albicans | Entamoeba histolytica HM-1:IMSS | Leishmania amazonensis | Leishmania braziliensis | Entamoeba histolytica | Rhizoctonia solani | Pichia angusta | Leishmania donovani | Staphylococcus aureus | Saccharomyces cerevisiae | Mycobacterium tuberculosis | Athelia rolfsii | Trichophyton rubrum | Culex quinquefasciatus |
3D viewer |
Pubchem |
|
637760 |
614-47-1 |
C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2 |
DQFBYFPFKXHELB-VAWYXSNFSA-N |
208.09000 |
C15H12O |
0.0973 |
1 |
0 |
17.07 |
3.0 |
16 |
2 |
[Studies on the anti-ulcer effects of isoprenyl flavonoids (1). The anti-ulcer effects of isoprenyl chalcone extracted from Sophora subprostrata (author's transl)].|[Fluorescent probe study of temperature-dependent conformational transitions in proteins].|Chalcone tetramers, lophirachalcone and alatachalcone, from Lophira alata as possible anti-tumor promoters.|The role of cyclic adenosine 3',5'-monophosphate and polyol metabolism in diabetic neuropathy.|Inhibition of ocular inflammation by chalcone derivatives and prednisolone.|Anti-platelet action of isoliquiritigenin, an aldose reductase inhibitor in licorice. |
Chalcone|trans-Chalcone|(E)-Chalcone|Benzalacetophenone|614-47-1|94-41-7|Benzylideneacetophenone|Chalkone|Phenyl styryl ketone|Cinnamophenone|2-Benzalacetophenone|2-Benzylideneacetophenone|1,3-DIPHENYL-2-PROPEN-1-ONE|1,3-Diphenylpropenone|Styryl phenyl ketone|3-Phenylacrylophenone|1-Benzoyl-2-phenylethene|(2E)-1,3-diphenylprop-2-en-1-one|beta-Benzoylstyrene|trans-Benzalacetophenone|Benzylidenecetophenone|1-Benzoyl-1-phenylethene|2-Propen-1-one, 1,3-diphenyl-|Phenyl trans-styryl ketone|1-Phenyl-2-benzoylethylene|trans-Benzylideneacetophenone|beta-Phenylacrylophenone|Acrylophenone, 3-phenyl-|1,3-Diphenyl-1-propen-3-one|(E)-Benzylideneacetophenone|1,3-Diphenyl-2-propenone|alpha-Benzylideneacetophenone|Phenyl 2-phenylvinyl ketone|Benzylidene acetophenone|(E)-1,3-Diphenyl-2-propen-1-one|1,3-diphenylprop-2-en-1-one|(E)-1,3-diphenylprop-2-en-1-one|UNII-5S5A2Q39HX|NSC 26612|(2E)-1,3-Diphenyl-2-propen-1-one|CCRIS 2213|CCRIS 3778|.beta.-Benzoylstyrene|2-Propen-1-one, 1,3-diphenyl-, (E)-|Phenyl (E)-2-phenylethenyl ketone|substituted chalcone, 5j|EINECS 202-330-2|EINECS 210-383-8|(E)-1,3-DIPHENYL-PROPENONE|.beta.-Phenylacrylophenone|1-Benzoyl-2-phenylethylene|CHEMBL7976|.alpha.-Benzylideneacetophenone|AI3-00946|MLS000069600|5S5A2Q39HX|2-Propen-1-one, 1,3-diphenyl-, (2E)-|CHEBI:48965|DQFBYFPFKXHELB-VAWYXSNFSA-N|phenyl (E)--2-phenylethenyl ketone|benzylidenacetophenone|MFCD00003082|Chalcone, 97%|SMR000059029|WLN: RV1U1R|.omega.-Benzylideneacetophenone|Chalcone methoxyamine|DQFBYFPFKXHELB-UHFFFAOYSA-N|Chalkon|b-Benzoylstyrene|1,3 Diphenyl 2 Propen 1 One|Chalcone 1|phenylstyryl ketone|Chalcone, 13|3-phenyl-Acrylophenone|AC1LCUWN|trans-Chalcone, 97%|a-Benzylideneacetophenone|AC1Q5BJD|Opera_ID_1389|bmse000704|2-(Benzylidene)acetophenone|SCHEMBL27580|chalcone (ACD/Name 4.0)|BIDD:ER0232|1,3-diphenyl-2-propen-1-on|cid_637760|BDBM29143|CHEBI:27618|NSC4523|1, 3-Diphenyl-1-propen-3-one|MolPort-000-513-959|MolPort-004-963-007|HMS2235P17|BCP14123|NSC-4523|NSC26612|STR06550|9216AB|BBL010497|NSC-26612|NSC167107|SBB058654|STK257430|ZINC38139289|AKOS001041518|AKOS025310645|(E)-1,3-diphenyl-prop-2-en-1-one|2-Propen-1-one,3-diphenyl-, (E)-|NE10263|NSC-167107|RP26425|RTR-038514|NCGC00018232-03|(E)-3-phenyl-1-phenylprop-2-en-1-one|AC-16892|AJ-94562|AK-93565|AN-46542|CJ-19140|I420|LS-52891|SC-46378|AB1011801|LS-123899|RT-003040|TL8005961|TR-038514|ST24020690|ST50164547|EN300-16057|1,3-Diphenyl-2-propenone, >=98.0% (GC)|C01484|C15589|A833233|AE-641/00372002|SR-01000000156|I14-5903|J-200119|SR-01000000156-2|I14-100778|5173133B-0B1C-46FB-8DFF-976669EE9D5B|1081515-13-0|1801869-81-7| |
| Flexibilide |
natural product |
Sinularia capillosa |
|
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
21609776 |
No Cas |
CC1=CCCC(C2CC(CCC3(C(O3)CC1)C)C(=C)C(=O)O2)(C)O |
YKKJETNBRNDYKN-PIIVLRHFSA-N |
334.21000 |
C20H30O4 |
1.6753 |
4 |
1 |
59.06 |
4.0 |
24 |
3 |
|Antimicrobial activity of the diterpenes flexibilide and sinulariolide derived from Sinularia flexibilis Quoy and Gaimard 1833 (Coelenterata: Alcyonacea, Octocorallia).|A new cembranolide from the soft coral Sinularia capillosa.|Discrimination between several diterpenoid compounds in feeding by Gambusia affinis.|Light-dependency of growth and secondary metabolite production in the captive zooxanthellate soft coral Sinularia flexibilis.|Flexibilide obtained from cultured soft coral has anti-neuroinflammatory and analgesic effects through the upregulation of spinal transforming growth factor-?1 in neuropathic rats.|Metabolomics study on the antitumor effect of marine natural compound flexibilide in HCT-116 colon cancer cell line. |
|
| (3R,4Ar,6As,6Bs,8As,11R,12Ar,14Bs)-11-(Hydroxymethyl)-4,4,6A,6B,8A,11,14B-Heptamethyl-1,2,3,4A,5,7,8,9,10,12,12A,13-Dodecahydropicen-3-Ol |
natural product |
Trichosanthes kirilowii|Trichosanthes kirilowii maxim|Momordicae semen|Momordica cochinchinensis|Lagenaria siceraria |
|
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Kidney Cancer|Renal Cell Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |
3D viewer |
Pubchem |
|
159490 |
118117-31-0 |
CC1(C(CCC2(C1CC=C3C2=CCC4(C3(CCC5(C4CC(CC5)(C)CO)C)C)C)C)O)C |
UIXJVDGAGQPTFR-ZSBHZPGCSA-N |
440.37000 |
C30H48O2 |
2.3272 |
2 |
2 |
40.46 |
10.0 |
32 |
5 |
Inhibitory effect of karounidiol on 12-O-tetradecanoylphorbol-13-acetate-induced tumor promotion.|Anti-tumor promoting effects of multiflorane-type triterpenoids and cytotoxic activity of karounidiol against human cancer cell lines. |
Karounidiol|CHEBI:81057|118117-31-0|CCRIS 7117|AC1L4LXO|D:C-Friedooleana-7,29-diol|AC1Q59K8|CHEMBL1983444|MolPort-039-339-170|ZINC5762646|NSC705536|NSC-705536|26-noroleana-7,9(11)-diene-3,29-diol, 13-methyl-,(3|A,13|A,14|A,20|A)-|NCI60_037647|C17394|(3R,4aR,6aS,6bS,8aS,11R,12aR,14bS)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-ol| |
| Tanshinone I |
bioactive compound |
Salvia miltiorrhizae |Salvia digitaloides|Uvaria klaineana|Cladonia bellidiflora|Artemisia siversiana|Salvia przewalskii var. mandarinorum|Ritterella rubra|Camptothecium lutescens|Salvia flava|Bothriocline longipes|Salvia przewalskll|Salvia przewalskii|Salvia miltiorrhiza|Dioscorea communis|Amentotaxus yunnanensis|Salvia karabachensis|Metzgeria pubescens|Amaranthus hybr|Angelica decursiva|Euphorbia retusa|Glycyrrhiza triphylla|Notholaena dealbata|Peucedanum praeruptorum|Euphorbia sancta|Prunella vulgaris|Combretum indicum|Hydrolithon reinboldii|Picradeniopsis pringlei|Asphodeline tenuior|Pleurophycus gardneri|Salvia bowleyana|Iris hoogiana|Phallusia fumigata|Salvia yunnanensis|Agathosma thymifolia|Salvia castanea|Radix salviae|Peucedani radix|Veronicastrum sibiricum|Vicia sativa|Salvia bulleyana|Allochromatium minutissimum|Delphinium cyphoplectrum|Salvia trijuga|Salvia prionitis|Glycine falcata|Aquilaria sinensis|Stauntonia obovatifoliola|Decachaeta ovatifolia|Deguelia hatschbachii|Rhabdia lycioides|Salvia sinica|Streptomyces lateritius|Palmaria palmata|Salvia sclarea|Senecio madagascariensis|Viburnum sieboldi |
Path=BIRC5 pathway|AKT1 pathway|PIK3R1 pathway|BAX pathway|CASP3 pathway|PARP1 pathway|BCL2 pathway|ICAM1 pathway|VEGFA pathway|TP53 pathway|CYCS pathway|N/A|CASP9 pathway|CCNE1 pathway|CD44 pathway|COL4A2 pathway|GNAL pathway|HRAS pathway|ICAM4 pathway|IL19 pathway|IL8 pathway|JUND pathway|MAP2K3 pathway|MMP2 pathway|MYC pathway|NFKB1 pathway|NRAS pathway|PDGFA pathway|RAC1 pathway|RIPK1 pathway|SHB pathway|TNFRSF10B pathway|AURKA pathway|CCNB1 pathway|CDK1 pathway|Gen=Phospholipase (e.g. PLA)|Acetylcholinesterase - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | SARS coronavirus 3C-like proteinase - SARS coronavirus | Monoglyceride lipase - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Geminin - Homo sapiens | Carboxylesterase 2 - Homo sapiens | Nonstructural protein 1 - Influenza A virus | Microtubule-associated protein tau - Homo sapiens | Streptokinase A - Streptococcus pyogenes serotype M1 | Chromobox protein homolog 1 - Homo sapiens | Protein-tyrosine phosphatase 1C - Homo sapiens | DNA polymerase beta - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Bloom syndrome protein - Homo sapiens | Protein-tyrosine phosphatase 2C - Homo sapiens | Acyl coenzyme A:cholesterol acyltransferase - Homo sapiens | Serine/threonine-protein kinase PLK1 - Homo sapiens | DNA polymerase eta - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Protease - Human immunodeficiency virus 1 | P-glycoprotein 1 - Homo sapiens | Glycoprotein hormones alpha chain - Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens | DNA polymerase iota - Homo sapiens | Vitamin D receptor - Homo sapiens | Telomerase reverse transcriptase - Homo sapiens | DNA polymerase kappa - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 - Homo sapiens |Org= Plasmodium falciparum | Saccharomyces cerevisiae | Streptococcus sp. 'group A' | Streptococcus |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|multidrug-resistant CEM/ADR5000 leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Breast Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Lung Epithelial Carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=Metabolism |
3D viewer |
Pubchem |
4M0E |
114917 |
568-73-0 |
CC1=CC=CC2=C1C=CC3=C2C(=O)C(=O)C4=C3OC=C4C |
IOUNDPHKKPZPKB-UHFFFAOYSA-N |
276.29000 |
C18H12O3 |
4.084 |
3 |
0 |
47.30 |
0.0 |
21 |
4 |
Tanshinone I, an active principle isolated from Salvia miltiorrhiza (Danshen), is structurally similar to tanshinone IIA and may possess similar cytotoxic effects on tumor cells. |
N/A |
| Palmitic acid |
bioactive compound |
Aegle marmelos |
Gen=Others |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Gen=Others |
3D viewer |
Pubchem |
5F2T 5VRH 4TKJ 2HNX |
985 |
57-10-3 |
CCCCCCCCCCCCCCCC(=O)O |
IPCSVZSSVZVIGE-UHFFFAOYSA-N |
256.42000 |
C16H32O2 |
6.393 |
1 |
0 |
37.30 |
14.0 |
18 |
|
Palmitic acid is the most common saturated fatty acid found in animals, plants and microorganisms with anti-tumor activity. |
hexadecanoic acid, Cetylic acid |
| Aglafolin |
natural product |
Aglaia elliptifolia|Aglaia ponapensis|Aglaia rubiginosa|Aglaia perviridis|Aglaia dasyclada|Duguetia chrysocarpa|Senecio asper|Miriquidica leucophaea|Citrus japonica|Pinus yunnanensis|Phaseolus coccineus|Sechium edule|Pyrola media|Franseria ambrosioides|Chlorobium phaeovibrioides|Cereus queretaroensis|Erophaca baetica subsp. baetica|Hygrophorus olivaceoalbus|Aglaia odorata|Ammodendron karelinii|Leucopaxillus amarus|aglaia sp. |
Nuclear factor NF-kappa-B p65 subunit - Homo sapiens | Eukaryotic initiation factor 4A-I - Homo sapiens |Org= Magnaporthe grisea | Fusarium avenaceum | Alternaria citri |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Medulloblastoma|Cervical Cancer|Cervical Carcinoma Papilloma |Colorectal Cancer|Colorectal Adenocarcinoma|ileocecal colorectal adenocarcinoma |Melanoma|malignant melanoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Lung Epithelial Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|Org=Magnaporthe grisea | Fusarium avenaceum | Alternaria citri |
3D viewer |
Pubchem |
|
393601 |
143901-35-3 |
COC1=CC=C(C=C1)C23C(C(C(C2(C4=C(C=C(C=C4O3)OC)OC)O)O)C(=O)OC)C5=CC=CC=C5 |
VFTGDXPPYSWBSO-GWNOIRNCSA-N |
492.18000 |
C28H28O8 |
-2.1147 |
4 |
2 |
103.68 |
13.0 |
36 |
5 |
Ponapensin, a cyclopenta[bc]benzopyran with potent NF-kappaB inhibitory activity from Aglaia ponapensis.|Activity of selected phytochemicals against Plasmodium falciparum.|Synthetic silvestrol analogues as potent and selective protein synthesis inhibitors. |
Aglafoline|Methyl rocaglate|AGLAFOLIN|143901-35-3|Rocaglamide J|CHEBI:65374|CMLDBU00002646|methyl(1r,2r,3s,3ar,8bs)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3,3a,8b-tetrahydro-1h-benzobcyclopentadfuran-2-carboxylate|methyl (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3,3a,8b-tetrahydro-1H-benzobcyclopentadfuran-2-carboxylate|AC1L96HM|SCHEMBL748617|CHEMBL394528|CTK8D0157|ZINC5922875|BDBM50397434|CMLD2_000263|NSC695795|AKOS030526537|CCG-102285|CS-5352|NSC-695795|HY-19354|SR-05000001265|J-008307|SR-05000001265-1|147059-47-0|1H-Cyclopenta(b)benzofuran-2-carboxylic acid, 2,3,3a,8b-tetrahydro-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-, methyl ester, (1alpha,2alpha,3beta,3abeta,8bbeta)-|1H-Cyclopenta(b)benzofuran-2-carboxylic cid, 2,3,3a,8b-tetrahydro-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-, methyl ester, (1alpha,2alpha,3beta,3abeta,8bbeta)-|methyl (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopentab1benzofuran-2-carboxylate| |
| Cepharanthine |
natural product |
Stephania cepharantha|Stephania rotunda|Lithocarpus haipinii|Stephania erecta|Stephania epigaea|Sphaerophysa salsula|Dictyodendrilla cavernosa|Ardisia hortorum|Populus balsamifera|Moesziomyces antarcticus|Strychnos gossweileri|Doronicum grandiflorum|Lora quadra|Conus gladiator|Spongia vaginalis|Euphorbia characias subsp. wulfenii|Sargassum fulvellum|Leibnitzia anandria|Stephania sasakll|Stephania delavayi|Oxytropis lanata|Dilophus guineensis |
Path=BIRC2 pathway|BIRC3 pathway|IL6 pathway|IL8 pathway|NFKB1 pathway|NFKB2 pathway|TNF pathway|VEGFA pathway|POU2F1 pathway|CCND1 pathway|CDK6 pathway|CDKN2A pathway|CDKN2B pathway|CDKN1A pathway|BAX pathway|CASP3 pathway|Gen=TNF-alpha|Nuclear receptor ROR-gamma - Mus musculus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Beta-glucocerebrosidase - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Ataxin-2 - Homo sapiens | Proto-oncogene c-JUN - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Niemann-Pick C1 protein - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Cholinesterase - Equus caballus | Trypanothione reductase - Trypanosoma cruzi | Geminin - Homo sapiens | Glucagon-like peptide 1 receptor - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Microtubule-associated protein tau - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Nuclear factor NF-kappa-B p105 subunit - Homo sapiens |Org= Plasmodium falciparum | Saccharomyces cerevisiae |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|Oral Squamous Cell Carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Multiple Myeloma|Multiple Myeloma |Plasmacytoma|Non-Hodgkin's Lymphomas|Lymphoblastic Leukemia|Histiocytic Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=Apoptosis |
3D viewer |
Pubchem |
|
10206 |
481-49-2 |
CN1CCC2=CC3=C(C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3 |
YVPXVXANRNDGTA-WDYNHAJCSA-N |
606.27000 |
C37H38N2O6 |
0.0749 |
2 |
0 |
61.86 |
6.0 |
45 |
7 |
Inhibition of neutrophil priming and tyrosyl phosphorylation by cepharanthine, a nonsteroidal antiinflammatory drug.|Inhibition of proliferation and differentiation of human B-lymphocytes by a biscoclaurine alkaloid.|[Assay of flow cytometry for the effect of cepharanthine on resistance to doxorubicin].|An alkaloid, cepharanthine, potentiates the bactericidal effect of methylglyoxal bis (cyclopentylamidinohydrazone) on Staphylococcus aureus.|Biscoclaurine alkaloids inhibit receptor-mediated phospholipase A2 activation probably through uncoupling of a GTP-binding protein from the enzyme in rat peritoneal mast cells.|Cepharanthine potentiates the antitumor effect of methylglyoxal bis (cyclopentylamidinohydrazone) on human leukemia cells. |
CEPHARANTHINE|481-49-2|Cepharanthin|(+)-Cepharanthine|O-Methylcepharanoline|Cepharantin|Cepharanthine JAN|UNII-7592YJ0J6T|CCRIS 6539|C37H38N2O6|NSC 623442|6',12'-Dimethoxy-2,2'-dimethyl-6,7-(methylenebis(oxy))oxyacanthan|BRN 0075231|CHEBI:3546|7592YJ0J6T|NSC623442|Cepharanthine (JAN)|ecaene (non-preferred name)|DSSTox_CID_25957|DSSTox_RID_81253|DSSTox_GSID_45957|Oxyacanthan, 6',12'-dimethoxy-2,2'-dimethyl-6,7-(methylenebis(oxy))-|CAS-481-49-2|SR-01000779734|NSC-623442|Cepharanthin,(S)|NCGC00095194-01|(14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo25.6.2.2~16,19~.1~3,10~.1~21,25~.0~4,8~.0~14,39~.0~31,35~nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dod|Cepharanthine (TN)|AC1L1UPH|Spectrum2_000832|Spectrum3_001963|UPCMLD-DP054|BSPBio_003563|4-27-00-09061 (Beilstein Handbook Reference)|MLS000728518|SCHEMBL154545|SPECTRUM1505322|SPBio_000783|CHEMBL449782|DTXSID6045957|UPCMLD-DP054:001|KBio3_002909|Cepharanthine, >=95% (HPLC)|Cepharanthine, >=98% (HPLC)|MolPort-000-775-465|HMS1922J12|HMS2232F21|Pharmakon1600-01505322|Tox21_111483|BBL030154|BDBM50423643|CCG-40294|NSC758965|s4238|STK801907|ZINC30726863|AKOS004119865|Tox21_111483_1|MCULE-4243165865|NSC-758965|SDCCGMLS-0066893.P001|NCGC00161621-01|NCGC00161621-02|NCGC00161621-03|NCGC00161621-05|AC-15206|AN-45199|AS-17451|LS-52756|SC-14006|SMR000445632|SBI-0207049.P001|FT-0082435|V0178|C09391|D01035|AB00643356_08|AB00643356_09|481C492|Q-100524|SR-01000779734-3|SR-01000779734-4|BRD-K96194081-001-06-0|6',12'-Dimethoxy-2,2'-dimethyl-6,7-(methylenebis(oxy))-oxyacanthan|6',12'-Dimethoxy-2,2'-dimethyl-6,7-methylenebis-(oxy)oxyacanthan|Oxyacanthan, 6',12'-dimethoxy-2,2'-dimethyl-6,7-(methylenebis(oxy))- (9CI)|(14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo25.6.2.2(16,19).1(3,10).1(21,25).0(4,8).0(14,39).0(31,35)nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dodecaene|(14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo25.6.2.2??,??.1?,??.1??,??.0?,?.0??,??.0??,??nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dodecaene| |
| N,N-Dimethyltryptamine |
natural product |
Arisaema decipiens|Desmodium pulchellum|Homo sapiens|Arundo donax|Mucuna pruriens|Allium sativum|Desmodium gangeticum |
Serotonin 2a (5-HT2a) receptor - Rattus norvegicus | Serotonin 2b (5-HT2b) receptor - Homo sapiens | Sigma-1 receptor - Cavia porcellus | Sigma opioid receptor - Rattus norvegicus | Serotonin 1a (5-HT1a) receptor - Rattus norvegicus | Serotonin 2c (5-HT2c) receptor - Homo sapiens | Serotonin 1a (5-HT1a) receptor - Homo sapiens | Serotonin 2a (5-HT2a) receptor - Homo sapiens |Org= Rattus norvegicus |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Ovarian Cancer|Epithelial Ovarian Cancer |Org=Rattus norvegicus |
3D viewer |
Pubchem |
|
6089 |
61-50-7 |
CN(C)CCC1=CNC2=CC=CC=C21 |
DMULVCHRPCFFGV-UHFFFAOYSA-N |
188.13000 |
C12H16N2 |
0.0646 |
2 |
1 |
19.03 |
5.0 |
14 |
2 |
Subsynaptosomal distribution, inhibition, and characterization of the binding of (14C) 5-OH-indole-3-acetaldehyde to brain preparations.|Biochemistry and the schizophrenias.|Accumulation of N,N-dimethyltryptamine in rat brain cortical slices.|Urinary excretion of dimethyltryptamine in liver disease.|Effects of iproniazid, chlorpromazine and methiothepin on DMT-induced changes in body temperature, pupillary dilatation, blood pressure and EEG in the rabbit.|[Biogenic amines and schizophrenia]. |
N,N-DIMETHYLTRYPTAMINE|DIMETHYLTRYPTAMINE|61-50-7|3-(2-Dimethylaminoethyl)indole|2-(3-Indolyl)ethyldimethylamine|N,N-Dimethyl-1H-indole-3-ethylamine|2-(1H-Indol-3-yl)-N,N-dimethylethanamine|1H-Indole-3-ethanamine, N,N-dimethyl-|DMT (psychogenic)|(psychogenic)|UNII-WUB601BHAA|3-2-(dimethylamino)ethylindole|EINECS 200-508-4|NSC 63795|WUB601BHAA|N,N-dimethyl-1H-Indole-3-ethanamine|BRN 0138259|CHEMBL12420|DEA No. 7435|CHEBI:28969|(2-Indol-3-ylethyl)dimethylamine|DMULVCHRPCFFGV-UHFFFAOYSA-N|1H-Indole-3-ethanamine,N,N-dimethyl-|Indole, 3-(2-(dimethylamino)ethyl)-|Indole, 3-2-(dimethylamino)ethyl-|D-5500|2-(1H-INDOL-3-YL)-ETHYL-DIMETHYL-AMINE|2-(1H-INDOL-3-YL)-N,N-DIMETHYL-ETHANAMINE|HSDB 8017|Indolalkylamine der|Dimethyltryptamine(DMT)|AC1L1LS3|GTPL141|3-(dimethylaminoethyl)-indole|SCHEMBL335710|CTK5B3344|DTXSID60110053|N,N-Dimethyltryptamine, free base|ZINC897457|NSC63795|WLN: T56 BMJ D2N1&1|3-(2-(dimethylamino)ethyl)-Indole|BDBM50026868|FCH838678|MFCD00055989|NSC-63795|STK370594|3-2- (dimethylamino)ethyl-Indole|AKOS005446117|DB01488|MB00483|2-(1H-indol-3-yl)ethyldimethylamine|3-(2-DIMETHYLAMINOETHYL) INDOLE|2-(1H-indol-3-yl)-ethyl-dimethyl-amine|AN-41827|AS-47089|LS-82930|N,N-Dimethyltryptamine, >=97% (HPLC)|2-(1H-indol-3-yl)-N,N-dimethylethylamine|1H-INDOLE-3-ETHANAMINE,N,N-DIMETHYL|FT-0667348|N,N-dimethyl-1H-Indole-3-ethanamine (9CI)|2-(1H-Indol-3-yl)-N,N-dimethylethanamine #|C08302|1H-Indole-3-ethanamine, N,N-dimethyl- (9CI)|061D507|L001288|2-(1H-indol-3-yl)-N,N-dimethylethanamine (ACD/Name 4.0)|N-(2-(1H-indol-3-yl)ethyl)-N,N-dimethylamine (ACD/Name 4.0)|N,N-Dimethyltryptamine (DMT) solution, 1.0 mg/mL in methanol, certified reference material|68677-25-8|InChI=1/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H| |
| Myricitrin |
natural product |
Myrica rubra|Austrocedrus chilensis|Eria pubescens|Lespedeza bicolor|Polygonum aviculare|Psoroma pallidum|Sorbaria sorbifolia|Marine actinobacterium|Persicaria orientalis|Piptocarpha oblonga|Oophaga pumilio|Toxicodendron succedaneum|Inula salicifolia|Acanthospermum glabratum|Catunaregam spinosa|Heliotropium ternatum|Solidago serotina|Capnoides sempervirens|Alyxia reinwardtii|Angelica lucida|Machilus macrantha|Senecio carthamoides|Aconitum heterophylloides|Strophanthus kombe|Haloxylon recurvum|Ajuga genevensis|Morus alba|Rhododendron ellipticum|Xylaria cubensis|Burkholderia gladioli|Sargassum muticum|Penicillium herquei|Dermocybe canaria|Aplysia parvula|Hippocratea excelsa|Curvularia coicis|Araliopsis soyauxii|Rhododendron luteum|Microtropis fokienensis|Limonium sinense|Bitis gabonica|Artemisia klotzchiana|Thymus vulgaris|Astragalus cibarius|Serratula inermis|Oscillochloris trichoides|Vitellaria paradoxa|Ranunculus fluitans|Celaenodendron mexicanum|Castanea vesca|Bunias orientalis|Sesbania bispinosa|Streptomyces thermoviolaceus|Trididemnum cyclops|Ephedra equisetina|Cyrtomium falcatum|Nymphaea odorata|Boronia pinnata|Chromodoris lochi|Rhododendron farrerae|Macrothele gigas|Amyris texana|Streptomyces sparsogenes|Cladosiphon decipiens|Annona ambotay|Goniothalamus amuyon|Myrocarpus frondosus|Trichosanthes rosthornii|Daphniphyllum paxianum|Hymenoxys insignis|Elymus repens|Adina sessilifolia|Alangium grisolleoides|Litsea triflora|Ilex lepta|Vernonia menthaefolia|Annella reticulata|Carica pennata|Cotula cinerea|Astraeus pteridis|Myrica cerifera|Limonium gmelinii|Globularia davisiana|Brevibacterium linens|Hylotelephium telephium|Aspergillus panamensis|Veratrum dahuricum|Zephyranthes sulphurea|Tarenaya spinosa|Centaurea linifolia|Micarea austroternaria|Cryptotaenia japonica|Cryptocarya alba|Cleistanthus indochinensis|Nerine bowdenii|Uvaria griffithii|Cneoridium dumosum|Tridachia crispata|Pseudodistoma arborescens|Ardisiae japonicae herba|Arum alpinum|Pongamiopsis pervilleana|Veronica arvensis|Platycladi cacumen|Pinguicula vulgaris|Zanthoxylum fagara|Glochidion sphaerogynum|Polygoni avicularis herba|Holomelina lamae|Mimusops caffra|Gardenia turgida|Euphorbia hirta|Stereospermum cylindricum |
Gen=PKC|DNA polymerase beta - Homo sapiens | Muscleblind-like protein 1 - Homo sapiens | Zinc finger protein mex-5 - Caenorhabditis elegans | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Cytoplasmic zinc-finger protein - Caenorhabditis elegans | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Microtubule-associated protein tau - Homo sapiens | DNA polymerase kappa - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | Flap endonuclease 1 - Homo sapiens | Mannose-6-phosphate isomerase - Homo sapiens | Lysosomal alpha-glucosidase - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Ataxin-2 - Homo sapiens | Serine/threonine-protein kinase PLK1 - Homo sapiens | DNA polymerase eta - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | DNA polymerase iota - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Rap guanine nucleotide exchange factor 3 - Homo sapiens | Protein disulfide-isomerase - Homo sapiens |Org= Plasmodium falciparum |
Dis=Acute Myeloid Leukemia|Basophilic Leukemia|Gen=TGF-beta/Smad |
3D viewer |
Pubchem |
|
5281673 |
17912-87-7 |
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O |
DCYOADKBABEMIQ-OWMUPTOHSA-N |
464.10000 |
C21H20O12 |
-4.8524 |
6 |
8 |
206.60 |
12.0 |
33 |
4 |
Application of the electrotopological state index to QSAR analysis of flavone derivatives as HIV-1 integrase inhibitors.|Inhibitory activity of flavonoids and tannins against HIV-1 protease.|Anti-human immunodeficiency virus-type 1 activity of constituents from Juglans mandshurica.|Myricetin inhibits matrix metalloproteinase 2 protein expression and enzyme activity in colorectal carcinoma cells.|Myricitrin degraded by simulated digestion inhibits oxidation of human low-density lipoprotein.|Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
Myricitrin|17912-87-7|Myricitroside|Myricetrin|Myricitrine|Myricetin 3-O-rhamnoside|Myricetol 3-rhamnoside|UNII-5Z0ZO61WPJ|Myricetin 3-O-alpha-L-rhamnopyranoside|5Z0ZO61WPJ|MLS000574998|CHEBI:70082|NSC19803|SMR000232363|3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one|5,7-Dihydroxy-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-2-(3,4,5-trihydroxy-phenyl)-1-benzopyran-4-one|Myricetin 3-O-alpha-L-rhamnoside|Myricitrin (8CI)|NSC 19803|5,7-dihydroxy-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one|5,7-dihydroxy-3-(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yloxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one|5,7-dihydroxy-3-(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yloxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one|5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside|Flavone,3,3',4',5,5',7-hexahydroxy-,3-rhamnoside|NSC-19803|Myricitrin (7)|EINECS 241-856-7|myricetin-3-rhamnoside|Myricitrin (Myricitrine)|AC1NQYV7|SCHEMBL226022|Myricitrin, analytical standard|CHEMBL522983|MEGxp0_000257|ACon1_000103|BDBM34753|cid_5281673|CTK8E5121|DTXSID40170771|DCYOADKBABEMIQ-OWMUPTOHSA-N|MolPort-001-740-436|BDBM153266|HMS2218N08|Myricitrin, >=99.0% (HPLC)|ZINC4098556|AC-638|MFCD00016930|AKOS015896842|CCG-208406|MCULE-4761802327|NCGC00163596-01|NCGC00163596-02|4CN-1200|4H-1-Benzopyran-4-one, 3-(6-deoxy-.alpha.-L-mannopyranosyl)oxy-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-|AN-15698|BC216274|CC-31054|O354|AB0016409|TR-008222|FT-0630445|N1274|S2327|C10108|912M877|C-22632|SR-01000712005|3,3',4',5,5',7-Hexahydroxyflavone, 3-rhamnoside|I07-0164|Myricitrin, primary pharmaceutical reference standard|SR-01000712005-3|3-(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yloxy-5,7-bis(oxidanyl)-2-3,4,5-tris(oxidanyl)phenylchromen-4-one|3-(6-deoxy-|A-L-mannopyranosyl)oxy-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one|4H-1-Benzopyran-4-one,3-(6-deoxy-a-L-mannopyranosyl)oxy-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-|5,7-dihydroxy-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one|5,7-dihydroxy-3-(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yloxy-2-(3,4,5-trihydroxyphenyl)chromone|5,7-dihydroxy-3-(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyloxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-4-one| |
| Bastadin 14 |
natural product |
Dendrilla cactos |
DNA topoisomerase II alpha - Homo sapiens | Dihydrofolate reductase - Homo sapiens |
Dis=Non-Hodgkin's Lymphomas|Adult T-cell leukemia/lymphoma |
3D viewer |
Pubchem |
|
10260430 |
No Cas |
C1CNC(=O)C(=NO)CC2=CC(=C(C=C2)OC3=C(C(=CC(=C3)CC(=NO)C(=O)NC=CC4=CC(=C(C(=C4)Br)OC5=C(C(=CC1=C5)Br)O)Br)Br)O)Br |
HXWATZFIMWEHEG-XDDRAWHZSA-N |
1011.76000 |
C34H25Br5N4O8 |
2.1125 |
4 |
6 |
189.28 |
11.0 |
51 |
4 |
|
|
| n.a. |
natural product |
Garcinia hanburyi|Garcinia hanburryi| |
Path=BCL2 pathway|BCL2L1 pathway|BIRC2 pathway|BIRC3 pathway|CCND1 pathway|ICAM1 pathway|MMP9 pathway|MYC pathway|PTGS2 pathway|RELA pathway|TRAF1 pathway|VEGFA pathway|CDC2 pathway|CDK1 pathway|CKD7 pathway|MAPK14 pathway|MAPK8 pathway|Gen=Bcl-2,Caspase|Cruzipain - Trypanosoma cruzi | Arachidonate 15-lipoxygenase - Homo sapiens | Arachidonate 15-lipoxygenase, type II - Homo sapiens | Vitamin D receptor - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | 78 kDa glucose-regulated protein - Homo sapiens | Ferritin light chain - Equus caballus | Nuclear receptor ROR-gamma - Mus musculus | Histone acetyltransferase GCN5 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Survival motor neuron protein - Homo sapiens |
Dis=Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Human umbilical vein endothelial cell|Non-small Cell Lung Cancer|Lewis Lung carcinoma |Gen=Apoptosis |
3D viewer |
Pubchem |
|
11599836 |
2752-65-0 |
CC(=CCCC1(C=CC2=C(O1)C(=C3C(=C2O)C(=O)C4=CC5CC6C4(O3)C(C5=O)(OC6(C)C)CC=C(C)C(=O)O)CC=C(C)C)C)C |
GEZHEQNLKAOMCA-JDDSCDDDSA-N |
628.30000 |
C38H44O8 |
3.7619 |
5 |
2 |
119.36 |
18.0 |
46 |
4 |
General gambogic acids inhibited growth of human hepatoma SMMC-7721 cells in vitro and in nude mice.|Gambogic acid inhibits proliferation of human lung carcinoma SPC-A1 cells in vivo and in vitro and represses telomerase activity and telomerase reverse transcriptase mRNA expression in the cells.|Anticancer effect and apoptosis induction of gambogic acid in human gastric cancer line BGC-823.|A role for transferrin receptor in triggering apoptosis when targeted with gambogic acid.|Inhibition of human telomerase reverse transcriptase gene expression by gambogic acid in human hepatoma SMMC-7721 cells.|Toxicological studies of gambogic acid and its potential targets in experimental animals. |
|
| Indole-3-carbinol |
bioactive compound |
Brassica spp|Leptosphaeria maculans|Haliclona oculata |
Path=BCL2 pathway|BCL2A1 pathway|BIRC2 pathway|BIRC3 pathway|BIRC5 pathway|CCND1 pathway|CFLAR pathway|MMP9 pathway|NFKB1 pathway|NFKBIA pathway|PTGS2 pathway|TRAF1 pathway|XIAP pathway|CDC25A pathway|CDK4 pathway|CDK6 pathway|CDKN1A pathway|ESR1 pathway|GATA3 pathway|RB1 pathway|N/A|CXCR4 pathway|CDKN1B pathway|AHR pathway|IFNGR1 pathway|CDK2 pathway|STAT1 pathway|BAX pathway|CCND2 pathway|JUND pathway|RELA pathway|CASP3 pathway|CASP8 pathway|CASP9 pathway|PARP1 pathway|BAK1 pathway|PSA pathway|AR pathway|BAD pathway|BCL2L1 pathway|EGFR pathway|AKT1 pathway|PI3CA parhway|CDKN2A pathway|TP53 pathway|Gen=NF-?B|Acetylcholinesterase - Electrophorus electricus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Androgen Receptor - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 - Homo sapiens | Anthrax lethal factor - Bacillus anthracis | Geminin - Homo sapiens | Aryl sulfotransferase - Rattus norvegicus | Heat shock protein beta-1 - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | Nuclear factor NF-kappa-B p105 subunit - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | Interleukin-8 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Cholinesterase - Equus caballus | Nuclear receptor ROR-gamma - Homo sapiens |Org= Plasmodium falciparum | Leptosphaeria maculans |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Head and Neck Cancers|Oral Squamous Cell Carcinoma|Multiple Myeloma|Multiple Myeloma |Non-Hodgkin's Lymphomas|Adult T-cell leukemia/lymphoma|Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=NF-?B |
3D viewer |
Pubchem |
|
3712 |
700-06-1 |
C1=CC=C2C(=C1)C(=CN2)CO |
IVYPNXXAYMYVSP-UHFFFAOYSA-N |
147.18000 |
C9H9NO |
1.518 |
0 |
2 |
36.00 |
1.0 |
11 |
2 |
Indole-3-carbinol is produced by the breakdown of the glucosinolate glucobrassicin, which can be found at relatively high levels in cruciferous vegetables. Indole-3-carbinol suppresses NF-?B and I?B? kinase activation. |
N/A |
| Kaempferol |
bioactive compound |
Rosmarinus officinalis|Fragaria ananassa|Diospyros lotus|Ginkgo biloba|Punica granatum|Hypericum perforatum| |
Path=PLCG1 pathway|SYK pathway|AR pathway|PSA pathway|N/A|CYP1A1 pathway|CYP1B1 pathway|Gen=Fatty Acid Synthase,Estrogen/progestogen Receptor |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Basophilic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|Oral Squamous Cell Carcinoma|Kidney Cancer|Renal Cell Adenocarcinoma|Melanoma|Amelanotic melanoma|malignant melanoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=Endocrinology & Hormones |
3D viewer |
Pubchem |
4REL 5AUX 5AV2 5AV3 |
5280863 |
520-18-3 |
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
IYRMWMYZSQPJKC-UHFFFAOYSA-N |
286.23000 |
C15H10O6 |
1.872 |
2 |
4 |
107.00 |
1.0 |
21 |
|
Kaempferol, a natural flavonol, functions as an ERR? and ERR? inverse agonist. It inhibits topoisomerase I catalyzed DNA religation and may also inhibit the activity of fatty acid synthase. |
Robigenin |
| Cryptotanshinone |
natural product |
Salvia miltiorrhizae |Amentotaxus yunnanensis|Picradeniopsis pringlei|Asphodeline tenuior|Rhabdia lycioides|Dioscorea communis|Notholaena dealbata|Vicia sativa|Metzgeria pubescens|Amaranthus hybr|Delphinium cyphoplectrum|Ritterella rubra|Euphorbia sancta|Decachaeta ovatifolia|Bothriocline longipes|Glycyrrhiza triphylla|Agathosma thymifolia|Camptothecium lutescens|Uvaria klaineana|Deguelia hatschbachii|Hydrolithon reinboldii|Pleurophycus gardneri|Iris hoogiana|Artemisia siversiana|Allochromatium minutissimum|Euphorbia retusa|Streptomyces lateritius|Phallusia fumigata|Senecio madagascariensis|Viburnum sieboldi|Stauntonia obovatifoliola|Palmaria palmata|Cladonia bellidiflora|Glycine falcata|Radix salviae|Salvia miltiorrhiza|Nardostachyos radix et rhizoma|Perovskia abrotanoides|Salvia przewalskii |
Path=CASP3 pathway|CASP8 pathway|CASP9 pathway|PARP1 pathway|BAX pathway|N/A|CDKN1A pathway|CCNA1 pathway|CCNB1 pathway|CDC25C pathway|CDK1 pathway|CHEK1 pathway|CHEK2 pathway|LDHA pathway|TP53 pathway|MMP2 pathway|JUND pathway|NFKB1 pathway|AURKA pathway|BCL2 pathway|BID pathway|MAPK14 pathway|MAPK8 pathway|MTOR pathway|RPS6K pathway|XIAP pathway|MAPK1 pathway|AKT1 pathway|CCND1 pathway|RB1 pathway|CCNE1 pathway|CDK2 pathway|CDK4 pathway|Gen=STAT|Acetylcholinesterase - Homo sapiens | SARS coronavirus 3C-like proteinase - SARS coronavirus | Vitamin D receptor - Homo sapiens | Cholinesterase - Equus caballus | Microtubule-associated protein tau - Homo sapiens | Carboxylesterase 2 - Homo sapiens | Streptokinase A - Streptococcus pyogenes serotype M1 | ATPase family AAA domain-containing protein 5 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Geminin - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | DNA polymerase beta - Homo sapiens | Protein-tyrosine phosphatase 2C - Homo sapiens | DNA polymerase kappa - Homo sapiens | Signal transducer and activator of transcription 3 - Homo sapiens | Neuropeptide S receptor - Homo sapiens | Serine/threonine-protein kinase PLK1 - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Histone-lysine N-methyltransferase MLL - Homo sapiens | Protein-tyrosine phosphatase 1B - Homo sapiens | DNA polymerase eta - Homo sapiens | Receptor-type tyrosine-protein phosphatase F (LAR) - Homo sapiens | Protein-tyrosine phosphatase 1C - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | ATP-dependent DNA helicase Q1 - Homo sapiens | Leukocyte common antigen - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | Muscleblind-like protein 1 - Homo sapiens | Aldose reductase - Rattus norvegicus | P-glycoprotein 1 - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Acyl coenzyme A:cholesterol acyltransferase - Homo sapiens | T-cell protein-tyrosine phosphatase - Homo sapiens | Regulator of G-protein signaling 4 - Homo sapiens | Tyrosine-protein phosphatase non-receptor type 9 - Homo sapiens | Protease - Human immunodeficiency virus 1 | Telomerase reverse transcriptase - Homo sapiens | Papain - Carica papaya | Dengue virus type 2 NS3 protein - Dengue virus type 2 (strain Thailand/16681/1984) (DENV-2) |Org= Plasmodium falciparum | Streptococcus | Leishmania major | Streptococcus sp. 'group A' |
Dis=Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Melanoma|Murine Melanoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Lung Epithelial Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Retinoblastoma|Gen=JAK/STAT |
3D viewer |
Pubchem |
|
160254 |
35825-57-1 |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
GVKKJJOMQCNPGB-JTQLQIEISA-N |
296.14000 |
C19H20O3 |
0.0397 |
3 |
0 |
43.37 |
3.0 |
22 |
4 |
Antibacterial activities of cryptotanshinone and dihydrotanshinone I from a medicinal herb, Salvia miltiorrhiza Bunge.|[Spectroscopic studies on the binding of effective component of Chinese herbs with human serum albumin].|Induction and potentiation of diterpenoid tanshinone accumulation in Salvia miltiorrhiza hairy roots by beta-aminobutyric acid.|Cryptotanshinone but not tanshinone IIA inhibits angiogenesisin vitro.|A mechanistic study of the intestinal absorption of cryptotanshinone, the major active constituent of Salvia miltiorrhiza.|Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
Cryptotanshinone|35825-57-1|(R)-1,2,6,7,8,9-Hexahydro-1,6,6-trimethyl-phenanthro(1,2-b)furan-10,11-dione|Tanshinone c|UNII-5E9SXT166N|MLS001049002|5E9SXT166N|SMR000387041|(1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho1,2-g1benzofuran-10,11-dione|Cryptotanshinon|(-)-Cryptotanshinone|(R)-1,6,6-trimethyl-1,2,6,7,8,9-hexahydrophenanthro1,2-bfuran-10,11-dione|SR-01000758222|NSC686518|AC1Q6JLL|AC1L4NB8|(1r)-1,6,6-trimethyl-1,2,6,7,8,9-hexahydrophenanthro1,2-bfuran-10,11-dione|SPECTRUM1505812|CHEMBL187460|cid_160254|SCHEMBL5940386|BDBM57938|CTK4I9862|GVKKJJOMQCNPGB-JTQLQIEISA-N|MolPort-002-507-503|Phenanthro(1,2-b)furan-10,11-dione, 1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-, (R)-|HMS2269A22|BCP02909|Cryptotanshinone, >=90% (HPLC)|Cryptotanshinone, >=98% (HPLC)|HY-N0174|ZINC2109876|Cryptotanshinone, analytical standard|ANW-46875|MFCD07636810|s2285|AKOS015895392|BCP9000554|CCG-208561|CS-3276|MCULE-9919031730|NSC-686518|RTR-014774|NCGC00163650-01|NCGC00163650-02|AJ-33498|CJ-32830|NCI60_031208|BCP0726000307|LS-193719|ST2414407|TR-014774|FT-0603171|N1843|W2147|825C571|Q-100429|SR-01000758222-3|SR-01000758222-4|BRD-K33336844-001-05-3|1,2,6,7,8,9-Hexahydro-1,6,6-trimethyl1,2-bfuran-10,11-dione|Phenanthro1,11-dione, 1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-, (1R)-|(1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho1,2-gbenzofuran-10,11-dione|(1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho1,2-gbenzofuran-10,11-quinone|(R)-(-)-1,6,6-Trimethyl-1,2,6,7,8,9-hexahydrophenanthro1,2-bfuran-10,11-dione|(R)-1,2,6,7,8,9-Hexahydro-1,6,6-trimethylphenanthro1,2-bfuran-10,11-dione|1,2,6,7,8,9-hexahydro-1,6,6-trimethyl- (R)-phenanthro(1,2-b)furan-10,11-dione|Phenanthro1,2-bfuran-10,11-dione,1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-, (1R)-|Phenanthro1,2-bfuran-10,11-dione,1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-, (R)-|(14R)-6,6,14-trimethyl-12-oxatetracyclo8.7.0.0^{2,7}.0^{11,15}heptadeca-1(10),2(7),8,11(15)-tetraene-16,17-dione|(14R)-6,6,14-trimethyl-12-oxatetracyclo8.7.0.02,7.011,15heptadeca-1(10),2(7),8,11(15)-tetraene-16,17-dione|4733-35-1| |
| Bromotopsentin |
natural product |
Spongosorites spp|spongosorites sp.|rhaphisia lacazei |
Alpha-1a adrenergic receptor - Homo sapiens | Sortase - Staphylococcus aureus | Alpha-1b adrenergic receptor - Homo sapiens |Org= Staphylococcus aureus |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Org=Staphylococcus aureus |
3D viewer |
Pubchem |
|
183528 |
112515-44-3 |
C1=CC2=C(C=C1O)NC=C2C(=O)C3=NC=C(N3)C4=CNC5=C4C=CC(=C5)Br |
YHGQVXFIJGWOFP-UHFFFAOYSA-N |
420.02000 |
C20H13BrN4O2 |
-1.0965 |
5 |
4 |
97.56 |
5.0 |
27 |
5 |
Bis(indole) alkaloids as sortase A inhibitors from the sponge Spongosorites sp. |
Bromotopsentin|Topsentin B2|CHEMBL436760|112515-44-3|Topsentin B 2|Topsentin B-2|AC1L4D2W|MLS004774099|DTXSID90150088|YHGQVXFIJGWOFP-UHFFFAOYSA-N|BDBM50287722|SMR003500764|6-Hydroxy-3-4-(6-bromoindol-3-ylimidazol-2-yl)carbonylindole|4-(6-Bromo-1H-indol-3-yl)-1H-imidazol-2-yl-(6-hydroxy-1H-indol-3-yl)-methanone|4-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl-(6-hydroxy-1H-indol-3-yl)methanone|5-(6-Bromo-1H-indol-3-yl)-1H-imidazol-2-yl-(6-hydroxy-1H-indol-3-yl)-methanone|5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl-(6-hydroxy-1H-indol-3-yl)methanone|Methanone, (5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl)(6-hydroxy-1H-indol-3-yl)-| |
| Hamacanthin A |
natural product |
Spongosorites spp|spongosorites sp.|hamacantha sp. |
Org=Candida albicans | Filobasidiella neoformans | Bacillus subtilis | Staphylococcus aureus |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|Breast Cancer|Breast Carcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Org=Candida albicans | Filobasidiella neoformans | Bacillus subtilis | Staphylococcus aureus |
3D viewer |
Pubchem |
|
3037568 |
160098-92-0 |
C1C(NC(=O)C(=N1)C2=CNC3=C2C=CC(=C3)Br)C4=CNC5=C4C=CC(=C5)Br |
LJVUNJVGWMVCQH-GOSISDBHSA-N |
483.95000 |
C20H14Br2N4O |
-0.0666 |
5 |
3 |
73.04 |
4.0 |
27 |
5 |
Hamacanthins A and B, new antifungal bis indole alkaloids from the deep-water marine sponge, Hamacantha sp. |
|
| Kurarinone |
natural product |
Sophora flavescens|Sophora alopecuroides|Sophora tonkinensis |
Sodium/glucose cotransporter 1 - Homo sapiens | Diacylglycerol O-acyltransferase 1 - Rattus norvegicus | Estrogen receptor alpha - Homo sapiens | Sodium/glucose cotransporter 2 - Homo sapiens | Beta-secretase 1 - Homo sapiens | Cyclooxygenase-1 - Homo sapiens |Org= Staphylococcus aureus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Breast Carcinoma|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Esophageal and Esophagogastric Junction Cancers|Esophageal squamous cell carcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Melanoma|malignant melanoma|Non-small Cell Lung Cancer|large cell carcinoma|Lung Epithelial Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Org=Staphylococcus aureus |
3D viewer |
Pubchem |
|
10812923 |
No Cas |
CC(=CCC(CC1=C(C=C(C2=C1OC(CC2=O)C3=C(C=C(C=C3)O)O)OC)O)C(=C)C)C |
LTTQKYMNTNISSZ-KESSSICBSA-N |
438.20000 |
C26H30O6 |
0.9214 |
1 |
3 |
96.22 |
14.0 |
32 |
3 |
Kurarinone isolated from Sophora flavescens Ait inhibited MCP-1-induced chemotaxis.|Na+-glucose cotransporter (SGLT) inhibitory flavonoids from the roots of Sophora flavescens.|BACE1 inhibitory effects of lavandulyl flavanones from Sophora flavescens.|Pterocarpans and flavanones from Sophora flavescens displaying potent neuraminidase inhibition.|Lavandulyl flavonoids from Sophora flavescens suppress lipopolysaccharide-induced activation of nuclear factor-kappaB and mitogen-activated protein kinases in RAW264.7 cells.|Induction of mitochondria-mediated apoptosis in human gastric adenocarcinoma SGC-7901 cells by kuraridin and Nor-kurarinone isolated from Sophora flavescens. |
|
| Cytisine |
natural product |
Sophora flavescens|Calonectria nivalis|Stephania dinklagei|Melilotus messanensis|Piper dilatatum|Scolopia chinensis|Nicotiana raimondii|Chionodoxa gigantea|Solanum tequilense|Chaenorhinum minus|Calonectria kyotensis|Fabaceae|Laburnum anagyroides|Streptomyces filamentosus|Candida albicans|Pleurostylia opposita|Carya pecan|Tephrosia watsoniana|Dendrobium cariniferum|Inulanthera calva|Arum maximum|Amaranthus spinosus|Heliotropium hirsutissimum|Sophora griffithii|Cirsium eriophorum|Lathyrus cicer|Leucospermum reflexum|Crassostrea virginica|Trollius europaeus|Chamomilla recutita|Macrocentrus cingulum |
Gen=AChR|Cholinesterase - Equus caballus | Neuronal acetylcholine receptor protein alpha-4 subunit - Rattus norvegicus | Neuronal acetylcholine receptor protein alpha-7 subunit - Rattus norvegicus | Acetylcholine receptor protein delta chain - Torpedo californica | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Nicotinic acetylcholine receptor alpha 5 subunit - Musca domestica | Lysine-specific demethylase 4D-like - Homo sapiens | Neuronal acetylcholine receptor protein alpha-7 subunit - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | Beta-glucocerebrosidase - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Inositol monophosphatase 1 - Rattus norvegicus | Cytochrome P450 3A4 - Homo sapiens | Acetylcholine receptor protein alpha chain - Torpedo californica | Microtubule-associated protein tau - Homo sapiens | Prelamin-A/C - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens |Org= Rattus norvegicus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Esophageal and Esophagogastric Junction Cancers|Esophageal squamous cell carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=Neuronal Signaling |
3D viewer |
Pubchem |
4BQT 5SYO |
10235 |
485-35-8 |
C1C2CNCC1C3=CC=CC(=O)N3C2 |
ANJTVLIZGCUXLD-DTWKUNHWSA-N |
190.11000 |
C11H14N2O |
-1.1881 |
3 |
1 |
32.34 |
0.0 |
14 |
3 |
Pharmacological properties of the homomeric alpha 7 receptor.|Behavioral effects after intrathecal administration of cholinergic receptor agonists in the rat.|[The effect of cytisine on mRNA transport in the cytoplasm of eukaryotic cells (plants and animals)].|Biochemical characterization of the nicotinic cholinergic receptors in human brain: binding of (-)-[3H]nicotine.|[3H](-)nicotine binding sites in fetal human brain.|[3H]acetylcholine nicotinic recognition sites in human brain: characterization of agonist binding. |
CYTISINE|485-35-8|Baptitoxine|Sophorine|(-)-Cytisine|Laburnin|Baptitoxin|Tabex|Cytiton|Ulexin|Cytitone|Tsitizin|Ulexine|Cystisine|Citizin|Cytizin|Tabax|Cytisinicline|(1R,5S)-3,4,5,6-Tetrahydro-1H-1,5-methanopyrido1,2-a1,5diazocin-8(2H)-one|Baphitoxine|Cytisine (-)|UNII-53S5U404NU|HSDB 3560|EINECS 207-616-0|NSC 407282|BRN 0083882|Cytisin|(1r,5s)-1,2,3,4,5,6-Hexahydro-8h-1,5-Methanopyrido1,2-A1,5diazocin-8-One|CHEBI:4055|CHEMBL497939|53S5U404NU|Cytisine, 98%|(1R,9S)-7,11-diazatricyclo7.3.1.0^{2,7}trideca-2,4-dien-6-one|(1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-Methano-8H-Pyrido1,2-A1,5Diazocin-8-One|1,2,3,4,5,6-Hexahydro-1,5-methano-8H-pyrido(1,2-a)(1,5)diazocin-8-one|(1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-methano-8H-pyrido1,2a1,5diazocin-8-one|SMR001233264|1,5-Methano-8H-pyrido(1,2-a)(1,5)diazocin-8-one, 1,2,3,4,5,6-hexahydro-|SR-01000597582|MLS003171607|Tsitafat|NSC407282|1,5-Methano-8H-pyrido(1,2-a)(1,5)diazocin-8-one, 1,2,3,4,5,6-hexahydro-, (1R,5S)-|C5E|Prestwick_140|6039 Sopharma|Cytisinicline USAN|Cytisine ((+)-)|Tocris-1390|AC1L1URQ|Prestwick3_000624|BSPBio_000588|Cytisine, >=99%, powder|5-24-02-00535 (Beilstein Handbook Reference)|MLS002153916|MLS002222174|SCHEMBL161398|BPBio1_000648|GTPL5347|(1R,9R)-7,11-diazatricyclo7.3.1.0~2,7~trideca-2,4-dien-6-one|(1S,9R)-7,11-diazatricyclo7.3.1.0~2,7~trideca-2,4-dien-6-one|(1S,9S)-3,11-Diazatricyclo7.3.1.03,8trideca-5,7-dien-4-one|6047-01-4 (hydrochloride)|CTK8B8646|1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido1,2-a1,5diazocin-8-one (cytisine)|ANJTVLIZGCUXLD-DTWKUNHWSA-N|Cytisine1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido1,2-a1,5diazocin-8-one|MolPort-000-880-972|HMS2096N10|HMS2235L06|HMS3267D20|HY-N0175|TNP00030|ZINC1599730|ANW-60953|BDBM50143282|PDSP1_000461|s2287|WLN: T C666 A GVN LM&TTJ|AKOS000276818|AKOS015833102|AB03763|CCG-208621|DB09028|EBD2185019|NSC-407282|RL03801|RTX-012300|NCGC00016463-01|NCGC00016463-02|NCGC00016463-03|NCGC00016463-04|NCGC00017171-01|NCGC00025138-01|NCGC00025138-02|NCGC00179513-01|AJ-27955|AN-45226|AS-19539|CAS-485-35-8|LS-59087|AB0035681|TC-067500|TL8003259|CS-0007888|ST24033620|SW219952-1|Y0063|Cytisine, >=99.0% (HPLC), >=99%|W-6535|485C358|SR-01000597582-1|SR-01000597582-5|SR-01000597582-6|SR-01000597582-7|BRD-K74186897-001-02-5|BRD-K74186897-001-04-1|BRD-K74186897-001-13-2|F9994-5373|Z2582785591|1,2-a1,5diazocin-8-one, 1,2,3,4,5,6-hexahydro-|(1R,9S)-7,11-diazatricyclo7.3.1.02,7trideca-2,4-dien-6-one|(1S,9R)-7,11-diazatricyclo7.3.1.02,7trideca-2,4-dien-6-one|1,2-a1,5diazocin-8-one, 1,2,3,4,5,6-hexahydro-, (1R)-|(1R,9S)-7,11-diazatricyclo7.3.1.0(2),trideca-2,4-dien-6-one|(1R,9S)-7,11-diazatricyclo7.3.1.0~2,7~trideca-2,4-dien-6-one|1,2-a1,5diazocin-8-one, 1,2,3,4,5,6-hexahydro-, (1R-cis)-|(1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido1,2-a1,5diazocin-8-one|(1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-methanopyrido1,2-a1,5diazocin-8-one|1267572-93-9|1933793-08-8|3728-36-7| |
| Dankastatin A |
natural product |
Gymnascella dankaliensis |
|
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
24854521 |
No Cas |
CCCCCCC(C)C=C(C)C=CC(=O)NC1CC2(C=C(C(=O)C(C2OC1OC)Cl)Cl)O |
BZCAAMLTKGWGQU-NVMAJLLBSA-N |
487.19000 |
C24H35Cl2NO5 |
0.8657 |
6 |
2 |
88.35 |
18.0 |
32 |
2 |
|
|
| Vibsanin P |
natural product |
Viburnum awabuki|Ficus ruficaulis|Heliotropium europaeum|Elysia grandifolia|Ruta bracteosa|Miscanthus sacchariflorus|Lecanora melanophthalma|Viburnum odoratissimum|Pericopsis schliebenii|Achillea roseoalba|Citrus trifolia|Isodon nervosus|Strychnos angustiflora|Narcissus pseudonarcissus subsp. leonensis|Lonicera fulvotomentosa|Aspergillus aculeatus|Lonchocarpus oaxacensis|Agave rigidissima|Fasciospongia rimosa|Crassocephalum crepidioides|Ulmus thomasii|Centaurium pulchellum|Euplotes rariseta|Berberis japonica|Urechis caupo|Isodon xerophilus|Engelhardia spicata|Byssovorax cruenta |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
643712 |
No Cas |
CC(=CC(=O)OC1C=CC(CC=C(CCC2C1(O2)C)CO)(C)CC=CC(C)(C)O)C |
ISSYTMWXBGIZDF-XWMBFTBISA-N |
418.27000 |
C25H38O5 |
2.84 |
5 |
2 |
79.29 |
15.0 |
30 |
2 |
|
|
| Abscisic Acid (Dormin? |
bioactive compound |
Axinella polypoides|Citrus aurantium|Citrus natsudaidai|Citrus sinensis|Ecklonia kurome|Hordeum vulgare|Isatis tinctoria|Saccharina japonica|Lonicera japonica|Citrus trifoliata|Prunus davidiana|Myelobia smerintha| |
Gen=Others|Nuclear factor erythroid 2-related factor 2 - Homo sapiens |Org= Plasmodium falciparum|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus | Cytochrome P450 monooxygenase - Arabidopsis thaliana | Thyroid stimulating hormone receptor - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Androgen Receptor - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Interleukin-8 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens |Org= Triticum aestivum|Org=Lepidium sativum | Lactuca sativa | Arabidopsis thaliana | Oryza sativa | Spinacia oleracea |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|Acute Myeloid Leukemia|Gen=Others |
3D viewer |
Pubchem |
3WG8 |
5280896 |
21293-29-8 |
CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C |
JLIDBLDQVAYHNE-WEYXYWBQSA-N |
264.32000 |
C15H20O4 |
2.161 |
2 |
0 |
74.60 |
3.0 |
19 |
1 |
Abscisic Acid is a plant hormone, which is involved in many plant developmental processes, modulates ion homeostasis and metabolism, and inhibits germination and seedling growth. |
Abscisin II |
| Syringic acid |
bioactive compound |
Inonotus obliquus |
Path=NFKB5 pathway |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|NFKB1Gen=Others |
3D viewer |
Pubchem |
|
10742 |
530-57-4 |
COC1=CC(=CC(=C1O)OC)C(=O)O |
JMSVCTWVEWCHDZ-UHFFFAOYSA-N |
198.17000 |
C9H10O5 |
1.184 |
3 |
1 |
76.00 |
3.0 |
14 |
|
Syringic acid (SYRA) is a potential antioxidant used in traditional Chinese medicine and is an emerging nutraceutical. It has potential anti-angiogenic, anti-glycating, anti-hyperglycaemic, neuroprotective, and memory-enhancing properties. |
3,5-dimethyl ether Gallic Acid, 3,5-dimethoxy-4-hydroxy Benzoic Acid, NSC 2129, SYRA |
| 5,7-Dihydroxy-2-(4-Hydroxyphenyl)-2,3-Dihydrochromen-4-One |
natural product |
Citrus spp|Salix hulteni|Cirsium setosum|Scutellaria barbata|Chrysanthemum x morifolium|Smilax china|Citrus aurantium|Smilax glabra|Citrus maxima|Solanum nigrum|Citrus natsudaidai|Citrus sinensis|Crocus sativus|Sophora japonica|Dalbergia odorifera|Spatholobus suberectus|Dendrobium candidum|Thymus quinquecostatus|Dendrobium chrysanthum|Thymus vulgaris|Dendrobium chrysotoxum|Turpinia arguta|Dendrobium fimbriatum|Typha angustifolia|Dendrobium loddigesii|Typha orientalis|Dendrobium nobile|Vitex negundo|Dendrobium catenatum|Zingiber officinale|Desmodium styracifolium|Erigeron breviscapus|Euonymus alatus|Citrus unshiu|Euphorbia hirta|Prunus persica|Foeniculum vulgare|Helichrysum arenarium|Glycyrrhiza glabra|Prunus mume|Glycyrrhiza inflata|Citrus grandis|Glycyrrhiza uralensis|Prunus davidiana|Hedysarum polybotrys|Prunus yedoensis|Humulus lupulus|Garcinia multiflora|Lysimachia christinae|Fallopia multiflora|Trigonella foenum-graecum|Persicaria orientalis|Camellia sinensis var. assamica (masters) kitamura|Citrus trifoliata|Anacardium occidentale|Prunus serrulata var. spontanea|Alpinia katsumadai|Rhododendron dauricum|Breea segeta |
Path=OGG1 pathway|Cytochrome P450 3A4 - Homo sapiens | Voltage-gated L-type calcium channel alpha-1C subunit - Rattus norvegicus | Beta-glucocerebrosidase - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Geminin - Homo sapiens | Ferritin light chain - Equus caballus | Luciferin 4-monooxygenase - Photinus pyralis | Arachidonate 12-lipoxygenase - Homo sapiens | Arachidonate 5-lipoxygenase - Homo sapiens | DNA polymerase iota - Homo sapiens | 6-phospho-1-fructokinase - Trypanosoma brucei |Org= Plasmodium falciparum |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|mouse stomach cancer|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|Prostate Adenocarcinoma|Soft Tissue Sarcoma|Mouse sarcoma|Gen=Metabolism |
3D viewer |
Pubchem |
4A87 2BRT 2UXU 1EYQ |
932 |
67604-48-2 |
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O |
FTVWIRXFELQLPI-UHFFFAOYSA-N |
272.07000 |
C15H12O5 |
-1.8144 |
1 |
3 |
86.99 |
4.0 |
20 |
3 |
BE-14348 substances, new specific estrogen-receptor binding inhibitors. Production, isolation, structure determination and biological properties.|Localization and symbiotic function of a region on the Rhizobium leguminosarum Sym plasmid pRL1JI responsible for a secreted, flavonoid-inducible 50-kilodalton protein.|nodO, a new nod gene of the Rhizobium leguminosarum biovar viciae sym plasmid pRL1JI, encodes a secreted protein.|Accumulation of a nod gene inducer, the flavonoid naringenin, in the cytoplasmic membrane of Rhizobium leguminosarum biovar viciae is caused by the pH-dependent hydrophobicity of naringenin.|Detection and subcellular localization of two Sym plasmid-dependent proteins of Rhizobium leguminosarum biovar viciae.|The gastric anti-ulcer activity of naringenin, a specific histidine decarboxylase inhibitor. |
naringenin|5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one|67604-48-2|Naringenine|4',5,7-Trihydroxyflavanone|(+/-)-Naringenin|naringetol|480-41-1|salipurpol|(-)-Naringenin|NARIGENIN|Salipurol|5,7,4'-Trihydroxyflavanone|93602-28-9|(S)-Naringenin|BE-14348A|NSC 34875|( inverted exclamation markA)-Naringenin|CHEMBL32571|MLS000028739|MLS000738094|CHEBI:50202|Flavanone, 4',5,7-trihydroxy-|FTVWIRXFELQLPI-UHFFFAOYSA-N|NSC11855|NSC34875|MFCD00006844|AK122638|SMR000059039|4',7-Trihydroxyflavanone|NSC 11855|Flavanone,5,7-trihydroxy-|Q-100521|5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one|EINECS 207-550-2|5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one|pelargidanon 1602|4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (S)-|naringenin-7-sulfate|NSC-34875|Narngenn|rac Naringenin|CCRIS 8135|(S)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone|NSC-11855|4H-1-Benzopyran-4-one,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-|2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|4H-1-Benzopyran-4-one,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (S)-|Naringenin (NAR)|Prestwick_531|EINECS 266-769-1|Naringenin, 90%|(R,S)-Naringenin|BE 14348A|Opera_ID_106|AC1L1ACN|AC1Q6KJD|Prestwick0_000466|Prestwick1_000466|Prestwick2_000466|Prestwick3_000466|Oprea1_194140|SCHEMBL20571|4 ,5,7-Trihydroxyflavanone|BSPBio_000572|MLS001146907|SPBio_002511|5,7-Dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one|BPBio1_000630|MEGxp0_000358|SCHEMBL1934259|ACon1_000582|BDBM19461|CTK7J9188|GTPL10298|DTXSID50274239|MolPort-000-861-091|(+/-)-Naringenin, >=95%|HMS1569M14|HMS2096M14|HMS2231O18|HMS3352B08|HMS3373N07|HMS3656G15|Naringenin, natural (US), 98%|KS-000001ZW|ZX-AT026530|ANW-43843|BN0800|CN0031|SBB006461|Naringenin solution, 20 mM in DMSO|(+/-)-5,7,4'-Trihydroxyflavanone|4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-|AKOS015895052|(+/-)-Naringenin, analytical standard|CS-W012357|KS-5142|LS-5089|MCULE-5489217450|RL05877|(+/-)-Naringenin, ~95% (HPCE)|KS-00000R53|SMP1_000060|NCGC00017346-02|NCGC00017346-03|NCGC00017346-04|NCGC00095963-01|NCGC00095963-02|NCGC00095963-03|4CN-0924|AC-20273|AN-45184|K702|LS-39547|SC-18078|ST057236|AB1003941|AB1009825|AX8246816|ST2418556|TR-017609|TR-037462|4CH-012369|FT-0082287|FT-0630981|N0072|M-7677|Naringenin, disposable screening library format|S00279|5,7-Dihydroxy-2-(4-hydroxy-phenyl)-chroman-4-one|I06-0445|I06-0536|J-523457|4',5,7-Trihydroxyflavanone solution, 20 mM in DMSO|BRD-A94669766-001-02-6|BRD-A94669766-001-04-2|EC19096C-4404-4A16-9BF9-92F9F358E005|( )-Naringenin; 4?,5,7-Trihydroxyflavanone; H-1-benzopyran-4-one|5,7-Dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one, (S)- #|( inverted exclamation markA)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 4 inverted exclamation marka,5,7-Trihydroxyflavanone| |
| Desoxypodophyllotoxin |
natural product |
Hernandia nymphaeifolia|Hernandia peltata|Pulsatilla koreana|Dysosma versipellis|Bridelia ferruginea|Bursera microphylla|Tabebuia rosea|Methylobacterium organophilum|Podophyllum emodii|Ficus maxima|Senecio mexicanus|Talaromyces wortmanni|Thujopsis dolabrata|Cladosporium herbarum|Perymenium klattianum|Aglaia meridionalis|Thuja occidentalis|Coleus carnosus|Babylonia japonica|Sinopodophyllum hexandrum|Juniperus silicicola|Gesneria cardinalis|Arcangelisia gusanlung|Juniperus sabina var. tamariscifolia|Russula cyanoxantha|Juniperus communis|Aspropaxillus candidus|Callyspongia truncata|Dunaliella acidophila|Polyporus sulphureus|Galega officinalis|Anthriscus sylvestris|Tecoma grandiflora|Amycolatopsis lurida|Escallonia philippiana|Penicillium paneum|Sidastrum multiflorum|Cleidion brevipetiolatum|Hernandia sonora|Avena fatua|Magnolia acuminata|Juniperus sabina|Timonius kaniensis|Piper sylvaticum|Artemisia schmidtiana|Millettia racemosa|Mallotus anomalus|Crotalaria lechnaultii|Bursera fagaroides|Dysosma pleiantha|Senecio erraticus|Lactobacillus acidophilus|Libocedrus sp|Lathyrus macrorrhizus|Gleichenia glauca|Thujopsis dolobrata|Cortinarius basirubescens|Helipterum strictum|Phora sylvatica|Laurencia elata|Pyrocystis lunula|Machaerium mucronulatum|Schefflera capitata|Juniperus thurifera|Dysosmae verspiellis rhixoma et radix|Gersemia rubiformis|Copaifera paupera|Ophioglossum vulgatum|Argemone hispida|Tacca plantaginea|Peltophorum dasyrhachis|Chaetomium retardatum|Hesperocyparis nevadensis|Aconitum barbatum|Chrysosplenium tetrandrum|Ochtodes crockeri|Entandrophragma cylindricum|Anacystis cyanea|Parmelia conspersa|Hippocratea indica|Citrus tankan|Tanacetum santolina|Paepalanthus bromelioides|Ammi majus|Hyptis verticillata|Cladonia pseudodidyma|Plumbago europaea|Lentinellus omphalodes|Brickellia pendula|Libocedrus sp.|Sinopodophyllum emodi|Helichrysum fulvum|Dimorphotheca sinuata|Hypotrachyna rachista|Garcinia eugeniifolia|Chamaemelum scariosum|Matteuccia struthiopteris|Simmondsia chinensis|Leptospermum scoparium|Allium ursinum |
Ornithine decarboxylase - Mus musculus |Org= Artemia | Human herpesvirus 1 | Measles virus |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Melanoma|malignant melanoma|Murine Melanoma|Non-small Cell Lung Cancer|large cell carcinoma|Lewis Lung carcinoma |Lung Epithelial Carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Org=Artemia | Human herpesvirus 1 | Measles virus |
3D viewer |
Pubchem |
|
345501 |
19186-35-7 |
COC1=CC(=CC(=C1OC)OC)C2C3C(CC4=CC5=C(C=C24)OCO5)COC3=O |
ZGLXUQQMLLIKAN-SVIJTADQSA-N |
398.14000 |
C22H22O7 |
-0.6687 |
2 |
0 |
72.45 |
7.0 |
29 |
5 |
Design, synthesis and antiproliferative activity of tripentones: a new series of antitubulin agents.|Deoxypodophyllotoxin; the cytotoxic and antiangiogenic component from Pulsatilla koreana.|Deoxypodophyllotoxin, a naturally occurring lignan, inhibits the passive cutaneous anaphylaxis reaction.|Lignans from Dysosma versipellis with inhibitory effects on prostate cancer cell lines.|Antineoplastic agents. 536. New sources of naturally occurring cancer cell growth inhibitors from marine organisms, terrestrial plants, and microorganisms(1a,).|The naturally occurring flavolignan, deoxypodophyllotoxin, inhibits lipopolysaccharide-induced iNOS expression through the NF-kappaB activation in RAW264.7 macrophage cells. |
Deoxypodophyllotoxin|19186-35-7|Anthricin|(-)-Deoxypodophyllotoxin|Desoxypodophyllotoxin|Isoanthricin|Silicicolin|Hernandin|Hernandion|4-Deoxypodophyllotoxin|(-)-Anthricin|NSC403148|Isodeoxypodophyllotoxin|CHEBI:4429|(-)-Desoxypodophyllotoxin|(5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro3',4':6,7naphtho2,3-d1,3dioxol-6(5aH)-one|C22H22O7|69222-20-4|MLS002702900|Anthriscin|(5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-isobenzofuro5,6-f1,3benzodioxol-6-one|Furo3',4':6,7naphtho2,3-d-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, (5R,5aR,8aR)-|AC1L82WF|CHEMBL63970|SCHEMBL987840|Podophyllotoxin, 7CI, 8CI)|MolPort-023-220-685|ZINC1575139|AKOS032948828|NSC-403148|RL02422|NCI60_003794|FT-0697908|W1846|C10556|J-501619|(10R,11R,15R)-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo7.7.0.03,7,011,15hexadeca-1(9),2,7-trien-12-one|(5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo3',4':6,7naphtho2,3-d1,3dioxol-6(5aH)-one|(5R,5aR,8aR)-5-(3,4,5-Trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro3',4':6,7naphtho2,3-d1,3dioxol-6(5a)-one|(5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-2benzofuro5,6-f1,3benzodioxol-6-one|5,8,8a,9,-Tetrahydro-5-(3,4,5-trimethoxyphenyl)furo3',4':6,7naphtho2,3-d-1,3-dioxol-6(5aH)-one|Furo3',7naphtho2,3-d-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-,(5R,5aR,8aR)-| |
| n.a. |
natural product |
Briareum excavatum |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Colorectal Cancer|Colorectal Adenocarcinoma |
3D viewer |
Pubchem |
|
21726550 |
112523-91-8 |
CC1(C2CCC34CCC(CC3C2(CCC1=O)C)C(C4)(CO)O)C |
GFMRAAZMCOCUCY-JTZLQOMOSA-N |
320.24000 |
C20H32O3 |
-0.0922 |
3 |
2 |
57.53 |
6.0 |
23 |
2 |
|
|
| Iso-Steviol |
bioactive compound |
Stevia rebaudiana |
Gen=Others |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
99514 |
27975-19-5 |
CC12CCC3C4(CCCC(C4CCC3(C1)CC2=O)(C)C(=O)O)C |
KFVUFODCZDRVSS-UHFFFAOYSA-N |
318.45000 |
C20H30O3 |
3.924 |
2 |
0 |
54.40 |
1.0 |
23 |
|
Isosteviol (ISV) is mainly obtained by acid hydrolysis of stevioside, the sweet food additive extracted from the plant Stevia Rebaudiana Bertoni (Bertoni). It possesses various biological activities including anti-hyperglycemic, anti-hypertensive, anti-tumor, anti-inflammatory, and antioxidant effects. |
N/A |
| Vibsanin T |
natural product |
Viburnum awabuki|Achillea roseoalba|Urechis caupo|Isodon xerophilus|Ficus ruficaulis|Ulmus thomasii|Citrus trifolia|Pericopsis schliebenii|Isodon nervosus|Byssovorax cruenta|Aspergillus aculeatus|Engelhardia spicata|Fasciospongia rimosa|Elysia grandifolia|Agave rigidissima|Berberis japonica|Crassocephalum crepidioides|Euplotes rariseta|Narcissus pseudonarcissus subsp. leonensis|Ruta bracteosa|Strychnos angustiflora|Lecanora melanophthalma|Centaurium pulchellum|Lonicera fulvotomentosa|Lonchocarpus oaxacensis|Miscanthus sacchariflorus|Heliotropium europaeum |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
11441439 |
No Cas |
CC(=CC(=O)OC1C=CC(CC=C(CCC2C1(O2)C)C=O)(C)CC=CC(C)(C)O)C |
ZCZKJKIOPWIFME-XWMBFTBISA-N |
416.26000 |
C25H36O5 |
3.0963 |
5 |
1 |
76.13 |
14.0 |
30 |
2 |
|
|
| Kamebakaurinin |
natural product |
Isodon rubescens|Isodon rubescens var. lushiensis|Isodon umbrosa var. latifolia|Isodon kameba |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia |
3D viewer |
Pubchem |
|
13945510 |
No Cas |
CC1(CCCC2(C1CC(C34C2C(CC(C3O)C(=C)C4=O)O)O)CO)C |
BCIUAQVTZYTSHZ-XUHSIGFGSA-N |
350.21000 |
C20H30O5 |
-1.778 |
5 |
4 |
97.99 |
7.0 |
25 |
4 |
|
|
| Cinchonine(LA40221) |
bioactive compound |
Cinchona spp |
Gen=Others|Glucose transporter - Homo sapiens | Glucose transporter - Leishmania mexicana | Hexose transporter 1 - Plasmodium falciparum | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Geminin - Homo sapiens | Cytochrome P450 2D6 - Homo sapiens | Reverse transcriptase - Human immunodeficiency virus 1 | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus |Org= Plasmodium falciparum | Trypanosoma brucei brucei | Plasmodium falciparum 3D7 | Plasmodium falciparum (isolate K1 / Thailand)|Cholinesterase - Equus caballus | Glucose transporter - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | Leishmania mexicana mexicana |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Chronic Myelogenous Leukemia|Gen=Angiogenesis |
3D viewer |
Pubchem |
|
90454 |
118-10-5 |
C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O |
KMPWYEUPVWOPIM-QAMTZSDWSA-N |
294.40000 |
C19H22N2O |
2.75 |
1 |
1 |
36.40 |
3.0 |
22 |
2 |
Cinchonine is an alkaloid and a stereoisomer and pseudo-enantiomer of cinchonidine. |
N/A |
| Cinchonidine |
bioactive compound |
Cinchona spp |
Gen=Anti-infection|Gen=Others|Glucose transporter - Homo sapiens | Glucose transporter - Leishmania mexicana | Hexose transporter 1 - Plasmodium falciparum | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Geminin - Homo sapiens | Cytochrome P450 2D6 - Homo sapiens | Reverse transcriptase - Human immunodeficiency virus 1 | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus |Org= Plasmodium falciparum | Trypanosoma brucei brucei | Plasmodium falciparum 3D7 | Plasmodium falciparum (isolate K1 / Thailand)|Cholinesterase - Equus caballus | Glucose transporter - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | Leishmania mexicana mexicana |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Chronic Myelogenous Leukemia|Gen=Microbiology |
3D viewer |
Pubchem |
|
101744 |
485-71-2 |
C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O |
KMPWYEUPVWOPIM-UHFFFAOYSA-N |
294.39000 |
C19H22N2O |
2.75 |
1 |
1 |
36.40 |
3.0 |
22 |
2 |
Cinchonidine is an alkaloid used in asymmetric synthesis in organic chemistry. |
N/A |
| Carnosol |
natural product |
Rosmarinus officinalis|Salvia eremophila|Ritterella rubra|Caria ino|Allochromatium minutissimum|Pholiota adiposa|Amentotaxus yunnanensis|Decachaeta ovatifolia|Alstonia yunnanensis|Artemisia siversiana|Delphinium cyphoplectrum|Scutellaria albida|Palmaria palmata|Dalea versicolor|Hydrolithon reinboldii|Stauntonia obovatifoliola|Phallusia fumigata|Vicia sativa|Euphorbia retusa|Dioscorea communis|Rhabdia lycioides|Deguelia hatschbachii|Talaromyces aculeatus|Protoparmeliopsis peltata|Orthosiphon labiatus|Senecio fuertesii|salvia africana-lutea|Salvia pachyphylla|Acer pictum subsp. okamotoanum|Salvia clevelandii|Uvaria klaineana|Salvia canariensis|Blepharisma japonicum|Salvia officinalis|Tylophora atrofolliculata|Verbesina virgata|Stachys tuberifera|Viburnum sieboldi|Aspilia hispida|Chamaemelum fuscatum|Dasymaschalon blumei|Achyrocline bogotensis|Cetraria ciliaris|Salvia przewalskii|Penicillium pedemontanum|Doriopsilla areolata|Camptothecium lutescens|Cynanchum auriculatum|Streptomyces lateritius|Felimare midatlantica|Salvia cana|Isodon adenolomus|Pleurophycus gardneri|Arthropsis truncata|Sideritis cystosiphon|Cladonia bellidiflora|Notholaena dealbata |
Protease - Human immunodeficiency virus 1 | Pancreatic lipase - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Mus musculus | Prostaglandin E synthase - Homo sapiens |Org= Candida albicans | Staphylococcus aureus | Bacillus subtilis | Salmonella | Staphylococcus epidermidis |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Org=Candida albicans | Staphylococcus aureus | Bacillus subtilis | Salmonella | Staphylococcus epidermidis |
3D viewer |
Pubchem |
|
442009 |
5957-80-2 |
CC(C)C1=C(C(=C2C(=C1)C3CC4C2(CCCC4(C)C)C(=O)O3)O)O |
XUSYGBPHQBWGAD-PJSUUKDQSA-N |
330.18000 |
C20H26O4 |
0.0167 |
2 |
2 |
66.76 |
7.0 |
24 |
2 |
Isolation and identification from Salvia officinalis of two diterpenes which inhibit t-butylbicyclophosphoro[35S]thionate binding to chloride channel of rat cerebrocortical membranes in vitro.|Antioxidant and pro-oxidant properties of active rosemary constituents: carnosol and carnosic acid.|Inhibition of mammalian 5-lipoxygenase and cyclo-oxygenase by flavonoids and phenolic dietary additives. Relationship to antioxidant activity and to iron ion-reducing ability.|Inhibitory effect of carnosic acid on HIV-1 protease in cell-free assays [corrected].|Carnosol-induced apoptosis and downregulation of Bcl-2 in B-lineage leukemia cells.|Antioxidant properties of phenolic diterpenes from Rosmarinus officinalis. |
carnosol|5957-80-2|UNII-483O455CKD|CHEBI:3429|CHEMBL218693|483O455CKD|CCRIS 7122|HSDB 7680|2H-9,4a-(Epoxymethano)phenanthren-12-one, 1,3,4,9,10,10a-hexahydro-5,6-dihydroxy-1,1-dimethyl-7-(1-methylethyl)-, (4aR-(4aalpha,9alpha,10abeta))-|AC1L9C3K|SCHEMBL42365|Carnosol, analytical standard|MolPort-016-580-725|1,3,4,9,10,10aS-Hexahydro-5,6-dihydroxy-1,1-dimethyl-7-isopropyl-2H-9S,4aR-(epoxymethano)phenanthren-12-one|BCP20030|HY-N0643|ZINC3871891|BDBM50213683|MFCD02752467|AKOS015897159|CCG-208130|CS-0009670|FT-0689376|N2566|V0335|C09069|957C802|I07-0284|BRD-K67265981-001-01-5|(1R,8S,10S)-3,4-dihydroxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo6.6.2.0;{1,10}.0;{2,7}hexadeca-2,4,6-trien-15-one|2H-9,4a-(Epoxymethano)phenanthren-12-one,1,3,4,9,10,10a-hexahydro-5,6-dihydroxy-1,1-dimethyl-7-(1-methylethyl)-,(4aR,9S,10aS)-| |
| Tetracenoquinocin |
natural product |
Streptomyces sp |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Cervical Cancer|Cervical Adenocarcinoma |
3D viewer |
Pubchem |
|
46210465 |
No Cas |
CC1C(C(C(C(O1)OC2=CC(=CC3=CC4=C(C(=C32)O)C(=O)C5=C(C4=O)C=CC=C5O)C)OC)O)O |
DDAFXQZMYKLUIV-XEOGOGAXSA-N |
480.14000 |
C26H24O9 |
-2.1049 |
6 |
4 |
142.75 |
10.0 |
35 |
5 |
|
|
| Kaempferol-3-Beta-D-(6-O-Cis-P-Coumaroyl)Glucopyranoside |
natural product |
Fragaria ananassa|Potentilla argentea|Euphoria longan|Potentilla discolor|Rubus idaeus |
Path=PLCG1 pathway|SYK pathway|IGF1 pathway|IGF1R pathway|MAPK1 pathway|MAPK3 pathway|HIF1A pathway|Cytochrome P450 3A4 - Homo sapiens |
Dis=Acute Myeloid Leukemia|Basophilic Leukemia|Uterine Neoplasms|Endometrial Cancer |
3D viewer |
Pubchem |
|
10175330 |
163956-16-9 |
C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O |
DVGGLGXQSFURLP-PYFXTMFGSA-N |
594.14000 |
C30H26O13 |
-4.1618 |
8 |
7 |
212.67 |
15.0 |
43 |
5 |
|
|
| Dihydromethysticin |
natural product |
Piper methysticum |
Path=ABCB1 pathway|NFKB1 pathway|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus |Org= Trichoderma viride | Fusarium oxysporum | Colletotrichum gloeosporioides | Echinochloa crus-galli | Fusarium solani | Lactuca sativa |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Org=Trichoderma viride | Fusarium oxysporum | Colletotrichum gloeosporioides | Echinochloa crus-galli | Fusarium solani | Lactuca sativa |
3D viewer |
Pubchem |
|
88308 |
19902-91-1 |
COC1=CC(=O)OC(C1)CCC2=CC3=C(C=C2)OCO3 |
RSIWXFIBHXYNFM-NSHDSACASA-N |
276.10000 |
C15H16O5 |
-0.5517 |
3 |
0 |
53.99 |
5.0 |
20 |
3 |
Kavain, dihydrokavain, and dihydromethysticin non-competitively inhibit the specific binding of [3H]-batrachotoxinin-A 20-alpha-benzoate to receptor site 2 of voltage-gated Na+ channels.|Inhibition of cytochrome P450 3A4 by extracts and kavalactones of Piper methysticum (Kava-Kava).|Pharmacokinetics and disposition of the kavalactone kawain: interaction with kava extract and kavalactones in vivo and in vitro.|Herbicidal and Fungicidal Activities of Lactones in Kava (Piper methysticum).|Identification of methysticin as a potent and non-toxic NF-kappaB inhibitor from kava, potentially responsible for kava's chemopreventive activity.|Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine. |
Dihydromethysticin|19902-91-1|(+)-Dihydromethysticin|7,8-Dihydromethysticin|Methysticin, 7,8-dihydro-|Dihydromethysticin (VAN)|UNII-FZ66MQ73GS|NSC 112159|FZ66MQ73GS|CHEBI:4573|RSIWXFIBHXYNFM-NSHDSACASA-N|2H-Pyran-2-one, 6-(2-(1,3-benzodioxol-5-yl)ethyl)-5,6-dihydro-4-methoxy-, (S)-|(2S)-2-2-(1,3-benzodioxol-5-yl)ethyl-4-methoxy-2,3-dihydropyran-6-one|2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(3,4-(methylenedioxy)phenethyl)-, (S)-|CCRIS 9368|Methysticin,8-dihydro-|AC1L3FGE|CHEMBL576066|MEGxp0_001718|6-2-(1,3-benzodioxol-5-yl)ethyl-4-methoxy-5,6-dihydro-2H-pyran-2-one|SCHEMBL14524443|ACon0_000957|ACon1_001371|MolPort-001-742-481|HY-N0921|ZINC1608669|NSC112159|AKOS030526112|CCG-208398|CS-4245|MCULE-4124799896|NSC-112159|NCGC00180578-01|(+)-Dihydromethysticin, analytical standard|LS-127431|FT-0700034|X1123|C09926|902D911|A821480|SR-05000002272|J-018462|Q-100244|SR-05000002272-2|BRD-K87171303-001-01-2|UNII-G9X3XK922J component RSIWXFIBHXYNFM-NSHDSACASA-N|2H-Pyran-2-one,3-benzodioxol-5-yl)ethyl-5,6-dihydro-4-methoxy-, (S)-|2H-Pyran-2-one, 6-(2-(1,3-benzodioxol-5-yl)ethyl)-5,6-dihydro-4-methoxy-, (S)- (9CI)|2H-Pyran-2-one, 6-2-(1,3-benzodioxol-5-yl)ethyl-5,6-dihydro-4-methoxy-, (6S)-|2H-Pyran-2-one,6-2-(1,3-benzodioxol-5-yl)ethyl-5,6-dihydro-4-methoxy-, (6S)-|2H-Pyran-2-one,6-dihydro-4-methoxy-6-3,4-(methylenedioxy)phenethyl-, (S)-|NCGC00180578-03!(2S)-2-2-(1,3-benzodioxol-5-yl)ethyl-4-methoxy-2,3-dihydropyran-6-one| |
| Ferulic Acid |
bioactive compound |
Plantago major|Angelica sinensis|Pygeum africanum|Varronia linnaei|Woodwardia prolifera|Acacia linarioides|Chondria californica|Planchonia grandis|Pecten irradians|Robinia pseudoacacia|Millettia thonningii|Stenolobium stans|Gaertnera morindoides|Siphonaria capensis|Libanothamnus occultus|Asimina parviflora|Halichondria melanadocia|Asparagus africanus|Clerodendrum bungei|Calea subcordata|Lucilia caesar|Chondrodendron tomentosum|Baphia bancoensis|Ericerus pela|Hypericum androsaemum|Mucor globosus|Embelia schimperi|Cyathocline lyrata|Malassezia furfur|Pteridium esculentum|Protea roupelliae|Ligularia anoleuca|Epilobium hirsutum|Solanum aculeatissimum|Abelia chinensis|Orobanche speciosa|Aquilegia viridiflora|Brombya platynema|Senecio ruwenzoriensis|Annulohypoxylon cohaerens|Centaurea maculosa|Phenax angustifolius|Daphne feddei|Rhinella marina|Cerbera odollam|Myrciaria dubia|Sasa paniculata|Veronica virginica|Piptadenia colubrina|Veronica orientalis|Astragalus kabadianus|Monsonia senegalensis|Tripterospermum lanceolatum|Cryptosporium pinicola|Trichilia havanensis|Planococcus citri|Neocosmospora tenuicristata|Parmelia tinctina|Gardenia lucida|Potentilla candicans|Streptomyces flaveus|Diospyros morrisiana|Helichrysum tenuifolium|Vernonia fagifolia|Shigella dysenteriae|Lycogala epidendrum|Dendronephthya griffini|Veronica liwanensis|Atraphaxis spinosa|Kiggelaria africana|Embelia parviflora|Ponera metallica|Briareum violacea|Conus mus|Gymnocalycium schickendantzii|Cordia leucocephala|Ephedra sinica|Camellia sinensis|Vachellia leucophloea|Jaborosa leucotricha|Pyrobaculum organotrophum|Sedum forsteri|Thorectandra excavatus|Hedychium coronarium|Piper regnellii|Myxococcus stipitatus|Populus angustifolia|Haplophyllum obtusifolium|Celastrus dispermus|Rhamnus cathartica|Pancratium sickenbergeri|Perymenium jelskii|Syzygium polycephaloides|Simarouba glauca|Nothofagus dombeyi|Aplophyllum alberti-regelii|Eucalyptus occidentalis|Diospyros assimilis|Gyrostroma missouriense|Faramea salicifolia|Viburnum betulifolium|Exochomus quadripustulatus|Onopordum acanthium|Spongionella gracilis|Penstemon newberryi|Coelogyne flavida|Idea leuconoe|Ophelia neglecta|Ochna obtusata|Rhamnus formosana|Bacillus amyloliquefaciens|Oxylobus oaxacanus|Plathymenia reticulata|Guettarda noumeana|Lemaireocereus longispinus|Prunus mahaleb|Erythrina melanacantha|Guadua angustifolia|Thermococcus kodakarensis|Lippia adoensis|Lupinus luteus|Senna didymobotrya|Ekebergia senegalensis|Balsamorhiza hookeri|Latrunculia magnifica|Morella rubra|Solanum chilense|Chalciporus piperatus|Kadsura interior|Morinda morindoides|Baccharis neglecta|Streptomyces pseudovenezuelae|Euphorbia nematocypha|Ilyonectria destructans|Asterococcus muratae|Gnetum pendulum|Lasiosiphon kraussianus|Spiraea formosana|Dolabella californica|Eria anomala|Hypericum styphelioides|Strychnos wallichiana|Siphonochilus aethiopicus|Vellozia nanuzae|Theonella conica|Ceramaster patagonicus|Cichorium endivia|Pajanelia multijuga|Salix acutifolia|Clinopodium gracile|Cochlospermum planchoni|Hexagonia speciosa|Strychnos elaeocarpa|Erysimum leptophyllum|Sophora flavescens|Esenbeckia leiocarpa|Tricholoma columbetta|Trachyrhamphus serratus|Daphne arisanensis|Flourensia ilicifolia|Lythrum salicaria|Homalium longifolium|Xanthium strumarium |
Path=MAPK14 pathway|CCND1 pathway|ERBB2 pathway|ESR1 pathway|AKT1 pathway|MAPK3 pathway|PI3CA parhway|TFF1 pathway|AR pathway|Gen=Others |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Breast Adenocarcinoma|Chronic Myelogenous Leukemia|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|Gen=Others |
3D viewer |
Pubchem |
4S13 |
445858 |
1135-24-6 |
COC1=C(C=CC(=C1)C=CC(=O)O)O |
KSEBMYQBYZTDHS-HWKANZROSA-N |
194.19000 |
C10H10O4 |
1.669 |
2 |
1 |
66.80 |
3.0 |
14 |
1 |
Ferulic Acid is a hydroxycinnamic acid and a type of organic compound found in the Ferula assafoetida L. or Ligusticum chuanxiong. |
Fumalic Acid |
| Cardamomin |
natural product |
Polygonum limbatum|Amomum subulatum|Boesenbergia pandurata|Matsucoccus josephi|Podocarpus macrophyllus|Lactarius mitissimus|Alpinia speciosa|Bethencourtia palmensis|Lemonia spectabilis|Alpinia katsumadai hayat|Alpinia katsumadai|Esox lucius|Kaempferia pandurata|Etlingera elatior|Salix rosmarinifolia|Mentzelia decapetala|Petunia axillaris subsp. parodii|Xylopia emarginata|Salvia patens|Sphaeria rousseliana|Pulsatilla chinensis|Parmotrema nilgherrense|Lepechinia urbanii|Nepytia freemani|Helleborus macranthus|Erythrina hypaphorus|Centaurea scoparia|Mucuna holtonii|Drymaria cordata|Aniba santalodora|Cynoglossum macrostylum|Euphorbia hylonoma|Quercus marilandica|Lonchocarpus chiricanus|Dialium excelsum|Salvia virgata|Hardenbergia violacea|Boswellia ovalifoliolata|Etmopterus spinax|Iris kashmiriana|Maclura cochinchinensis|Rubia akane|Dysidea fragilis|Pterocaulon serrulatum|Thalassiosira weissflogii|Podocarpus dacrydioides|Beilschmiedia madang|Campanula choziatowskyi|Salvia lavanduloides|Colchicum filifolium|Orgyia pseudotsugata|Matricaria sabulosa|Astragalus circassicus|Preussia terricola|Amorphophallus konjac|Centaurea sonchifolia|Senecio platyphylloides|Mimosa pigra|Heliotropium scabrum|Gaillardia coahuilensis |
Path=BCL2 pathway|TNFRSF10C pathway|XIAP pathway|TNFRSF10A pathway|TNFRSF10B pathway|TNFSF10 pathway|Gen=NF-?B,Calcium Channel|Neuropeptide S receptor - Homo sapiens | DNA polymerase iota - Homo sapiens | Geminin - Homo sapiens | Ataxin-2 - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Microtubule-associated protein tau - Homo sapiens | Protease - Human immunodeficiency virus 1 | Dengue virus type 2 NS3 protein - Dengue virus type 2 (strain Thailand/16681/1984) (DENV-2) | Lysine-specific demethylase 4A - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | Voltage-gated potassium channel subunit Kv1.3 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus |Org= Plasmodium falciparum |
Dis=Acute Myeloid Leukemia|Acute Monocytic Leukemia |Colorectal Cancer|Colorectal Adenocarcinoma|Gen=NF-?B |
3D viewer |
Pubchem |
|
641785 |
18956-16-6 |
COC1=CC(=CC(=C1C(=O)C=CC2=CC=CC=C2)O)O |
NYSZJNUIVUBQMM-BQYQJAHWSA-N |
270.09000 |
C16H14O4 |
-0.8751 |
1 |
2 |
66.76 |
7.0 |
20 |
2 |
Blockade of nuclear factor-kappaB signaling pathway and anti-inflammatory activity of cardamomin, a chalcone analog from Alpinia conchigera.|Anti-HIV-1 protease activity of compounds from Boesenbergia pandurata.|Microsphere-based protease assays and screening application for lethal factor and factor Xa.|Inhibitory activity of cyclohexenyl chalcone derivatives and flavonoids of fingerroot, Boesenbergia rotunda (L.), towards dengue-2 virus NS3 protease.|Cardamonin, inhibits pro-inflammatory mediators in activated RAW 264.7 cells and whole blood.|Cardamonin inhibits COX and iNOS expression via inhibition of p65NF-kappaB nuclear translocation and Ikappa-B phosphorylation in RAW 264.7 macrophage cells. |
Cardamonin|19309-14-9|18956-16-6|CARDAMOMIN|1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one|UNII-H8KP1OJ8JX|2-Propen-1-one, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenyl-, (2E)-|H8KP1OJ8JX|CHEMBL378104|Alpinetin chalcone|(E)-1-(2,4-Dihydroxy-6-methoxyphenyl)-3-phenyl-2-propen-1-one|(2E)-1-(2,4-Dihydroxy-6-methoxyphenyl)-3-phenyl-2-propen-1-one|(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one|Q-100234|Dihydroxymethoxychalcone|(E)-1-(2,4-Dihydroxy-6-methoxy-phenyl)-3-phenyl-propenone|Cardamonin ,(S)|2'4'-Dihydroxy-6'-methoxy-chalcone|AC1LD3L2|(8CI); Alpinetin chalcone|MLS000876992|SCHEMBL449220|MEGxp0_000534|Cardamonin, >=98% (HPLC)|ACon1_000221|CHEBI:125601|MolPort-000-165-365|HMS2271N04|ZINC4716487|BDBM50185446|LMPK12120245|AKOS015896716|CCG-208127|MCULE-6098713539|ACM18956166|NCGC00180767-01|AJ-52061|AK-65054|DS-15713|SMR000440601|TC-147514|TX-017473|B7085|ST24037020|W1234|309C149|A813330|I07-0171|J-012229|BRD-K61559475-001-01-0|I14-38027|1-(2',4'-Dihydroxy-6'-methoxy-phenyl)-3-phenyl-propenone|2-Propen-1-one, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenyl-|(2E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one|(E)-1-(2,4-dihydroxy-6-methoxy-phenyl)-3-phenyl-prop-2-en-1-one|(E)-1-2-methoxy-4,6-bis(oxidanyl)phenyl-3-phenyl-prop-2-en-1-one|NCGC00180767-02!(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one|(E)-2 inverted exclamation marka,4 inverted exclamation marka-Dihydroxy-6 inverted exclamation marka-methoxy-chalcone|InChI=1/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7| |
| Flexicanlin A |
natural product |
Isodon rubescens |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |
3D viewer |
Pubchem |
|
46906485 |
No Cas |
CC(=O)OCC12CCCC(C1CC(C34C2C(CC(C3O)C(=C)C4=O)O)O)(C)C |
OHNVJXDBOKZLFC-CFKUBGKCSA-N |
392.22000 |
C22H32O6 |
-1.3989 |
6 |
3 |
104.06 |
9.0 |
28 |
4 |
Cytotoxic ent-kaurane diterpenoids from Isodon rubescens var. lushiensis. |
|
| Ursolic Acid |
anticancer |
Origanum dictamnus|Plantago asiatica|Crataegus pinnatifida|Scrophularia ningpoensis|Prunus dulcis|Vaccinium macrocarpon|Rosmarinus officinalis|Ficus microcarpa|Aralia decaisneana|Eriobotrya japonica|Pygeum africanum|calceolaria pinifolia|Piper aequale|Isodon loxothyrsus|Viscum coloratum|Diospyros tricolor|Acrocomia sclerocarpa|Eriostemon deserti|Streptomyces roseoviolaceus|Brugmansia arborea|Abrus pulchellus subsp. cantoniensis|Senecio scandens|Alkanna hirsutissima|Ruta oreojasme|Monascus purpureus|Rhododendron barbatum|Clutia richardiana|Drypetes roxburghii|Melaleuca uncinata|Shigella flexneri|Avrainvillea nigricans|Mentha pulegiformis|Calea megacephala|Halopitys incurvus|Lecanora lividocinerea|Abies nobilis|Cordyline indivisa|Vinca major|Grindelia nana|Formica fusca|Picris radicata|Vitex trifolia|Bambusa chungii|Polyphaga sinensis|Rodgersia podophylla|Drymonia macrophylla|Schisandra lancifolia|Cremastra appendiculata|Hakea saligna|Gynura elliptica|Amsinckia menziesii|Jasminum grandiflorum|Urtica fissa|Psittacanthus cucullaris|Buddleja variabilis|Pinus picea|Didemnum inarmatum|Disepalum plagioneurum|Dipodium punctatum|Ostrinia nubilalis|Aromadendron elegans|Delphinium campylocentrum|Haloxylon salicornicum|Glenodinium halli|Relbunium atherodes|Gentiana pyrenaica|Bursatella leachi|Pycnocoma cornuta|Vallaris solanacea|Lesquerella auriculata|Laurencia caraibica|Osmundaria colensoi|Dacrydium biforme|Primula hirsuta|Leucanthemum maximum|Persea indica|Nephroma australe|Corydalis cornuta|Smenospongia echina|Coronophora gregaria|Scapania nemorea|Corynebacterium ammoniagenes|Viscum album|Relicina connivens|Fagara rubescens|Rhododendron ferrugineum|Dendrobates truncatus|Phegopteris bukoensis|Streptomyces coeruleorubidus|Leptothorax acervorum|Streptomyces misawanensis|Gloxinia erinoides|Eremophila serrulata|Campsis grandiflora| |
Path=CHUK pathway|IKBKB pathway|IL1B pathway|MMP9 pathway|NFKB1 pathway|TNF pathway|NFKBIA pathway|none|PTGS2 pathway|PARP1 pathway|MMP2 pathway|AR pathway|Gen=Others|Glycogen phosphorylase, muscle form - Oryctolagus cuniculus |Org= Staphylococcus aureus | Bacillus subtilis |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Mouse Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Bladder Cancer|Bladder carcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioma|Cervical Cancer|Cervical Carcinoma Papilloma |Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|Nasopharyngeal carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Hepatoma|Melanoma|Murine Melanoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Non-small Cell Lung Cancer|Bronchioalveolar Carcinoma|Lung Epithelial Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|Gen=Others |
3D viewer |
Pubchem |
5K3M 5X8S |
64945 |
77-52-1 |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O |
WCGUUGGRBIKTOS-UHFFFAOYSA-N |
456.70000 |
C30H48O3 |
6.327 |
1 |
1 |
57.50 |
1.0 |
33 |
5 |
Ursolic acid (Malol) is a pentacyclic triterpene acid, used in cosmetics. |
NSC 167406, NSC-4060 |
| Apigenin |
bioactive compound |
Dracocephalum kotschyi|Centaurea arenaria|Ficus formosana|Hypericum perforatum|Marticaria chamomilla| |
Path=CYP1A1 pathway|CYP1B1 pathway|Gen=P450 (e.g. CYP17) |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Fibrosarcoma|Murine Fibrosarcoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Hepatoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Non-Melanoma Skin Cancers|human fetal foreskin fibroblast|Prostate Cancer|prostate Carcinoma|Prostate Adenocarcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Gen=Metabolism |
3D viewer |
Pubchem |
5AUV 5I2H 4HKK 4DER |
5280443 |
520-36-5 |
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
KZNIFHPLKGYRTM-UHFFFAOYSA-N |
270.24000 |
C15H10O5 |
2.41 |
2 |
3 |
87.00 |
1.0 |
20 |
|
Apigenin is a potent P450 inhibitor for CYP2C9 with Ki of 2 ?M. |
NSC 83244, LY 080400 |
| 10-Hydroxy-1,2,6A,6B,9,9,12A-Heptamethyl-2,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydro-1H-Picene-4A-Carboxylic Acid |
natural product |
Origanum dictamnus|Plantago asiatica|Crataegus pinnatifida|Scrophularia ningpoensis|Prunus dulcis|Vaccinium macrocarpon|Rosmarinus officinalis|Ficus microcarpa|Aralia decaisneana|Eriobotrya japonica|Pygeum africanum|Campsis grandiflora|Campsis radicans |
Path=CHUK pathway|IKBKB pathway|IL1B pathway|MMP9 pathway|NFKB1 pathway|TNF pathway|NFKBIA pathway|none|PTGS2 pathway|PARP1 pathway|MMP2 pathway|AR pathway|Gen=Others|Glycogen phosphorylase, muscle form - Oryctolagus cuniculus |Org= Staphylococcus aureus | Bacillus subtilis |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Mouse Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Bladder Cancer|Bladder carcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioma|Cervical Cancer|Cervical Carcinoma Papilloma |Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|Nasopharyngeal carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Hepatoma|Melanoma|Murine Melanoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Non-small Cell Lung Cancer|Bronchioalveolar Carcinoma|Lung Epithelial Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|Gen=Others |
3D viewer |
Pubchem |
5K3M 5X8S |
220774 |
No Cas |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O |
WCGUUGGRBIKTOS-UHFFFAOYSA-N |
456.36000 |
C30H48O3 |
1.4838 |
3 |
2 |
57.53 |
10.0 |
33 |
5 |
|
Carissic acid|NSC167406|.beta.-Ursolic acid|Urs-12-en-28-oic acid, 3.beta.-hydroxy-|Bungeolic acid|Urs-12-en-28-oic acid, 3-hydroxy-, (3.beta.)-|77-52-1|10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid|Urs-12-en-28-oic acid, (3.beta.)-|NSC 4060|NSC 167406|NSC-167406|Urs-12-en-28-oic acid, 3-hydroxy-|UROSOLIC ACID|AC1L59B2|CHEMBL1979720|SCHEMBL13395361|CHEBI:95136|WCGUUGGRBIKTOS-UHFFFAOYSA-N|MCULE-6367656540|URSOLIC ACID B633868K036|SMP2_000329|3.beta.-Hydroxyurs-12-en-28-oic acid|NCI60_001324|NCI60_003846|SY036316|MFCD00009621 (95%)|I04-0155|10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid| |
| [5,7-Dihydroxy-2-(3,4,5-Trihydroxyphenyl)-3,4-Dihydro-2H-Chromen-3-Yl] 3,4,5-Trihydroxybenzoate |
natural product |
Diospyros kaki|Myrica rubra|Camellia sinensis|Prunus persica|Punica granatum|Ampelopsis japonica|Rhodiola rosea|Eriobotrya japonica|Morus alba|Ardisia japonica|Portulaca oleracea|Solanum nigrum |
Path=ODC1 pathway|ABCG2 pathway|BCL2 pathway|BAX pathway|CASP3 pathway|PARP1 pathway|AR pathway|PSA pathway|N/A|CDK4 pathway|PCNA pathway|Gen=DNA Methyltransferase,HER2,Telomerase,EGFR,Fatty Acid Synthase|15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Arachidonate 15-lipoxygenase - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Histone acetyltransferase GCN5 - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Vitamin D receptor - Homo sapiens | DNA polymerase kappa - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | HERG - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Galactokinase - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Basophilic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|Uterine Neoplasms|leiomyoma|Gen=DNA Damage |
3D viewer |
Pubchem |
4E1A 4KQR 4KQK 4KQO |
1287 |
epigallocatechol-3-gallate |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
WMBWREPUVVBILR-UHFFFAOYSA-N |
458.08000 |
C22H18O11 |
-3.966 |
2 |
8 |
197.37 |
12.0 |
33 |
4 |
|
CHEMBL311663|5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate|84650-60-2|epigallocatechol-3-gallate|(+)-epigallocatechin gallate|SCHEMBL161547|ChEMBL_134784|AC1L1B55|CTK7J8580|MolPort-009-758-814|HMS3393K21|HMS3651I16|BCP28205|BBL033816|BDBM50093882|STL372995|AKOS025248011|MCULE-9752626908|NCGC00095722-01|(?)-cis-3,3',4',5,5',7-Hexahydroxy-flavane-3-gallate|(?)-cis-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-gallate|5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl 3,4,5-trihydroxybenzoate|5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate|2-(3,4,5-Trihydroxyphenyl)-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-1-benzopyran-5,7-diol|3,4,5-Trihydroxy-benzoic acid 5,7-dihydroxy-2-(3,4,5-trihydroxy-phenyl)-chroman-3-yl ester|5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate| |
| Nodosin |
natural product |
Isodon rubescens|Isodon sculponeatus|Isodon sinuolata|Isodon trichocarpus|Isodon oresbia|Isodon japonica|Isodon eriocalyx|Isodon serra|Cereus stellatus|Arctotheca calendula|Boletus bovinus|Danae racemosa|Quercus pedunculata|Crotalaria laburnifolia|Carcinus maenas|Melampodium argophyllum|Urceolaria scruposa|Xylosalsola arbuscula|Ozothamnus obcordatus|Psydrax livida|Daphniphyllum calycinum|Meloidogyne incognita|Elaeagnus orientalis|Crematogaster brevis |
|
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Acute Myeloid Leukemia |
3D viewer |
Pubchem |
|
10248089 |
10391-09-0 |
CC1(CCC2C3(C1C(OC3)O)C4C(CC5CC4(C(=O)C5=C)C(=O)O2)O)C |
WZYJEEIAFBHYJS-SONIPUFESA-N |
362.17000 |
C20H26O6 |
-0.8202 |
6 |
2 |
93.06 |
4.0 |
26 |
5 |
Preconditioning donor liver with Nodosin perfusion lessens rat ischemia reperfusion injury via heme oxygenase-1 upregulation. |
|
| Hachijodine A |
natural product |
Amphidinium sp|Xestospongia bergquistii|xestospongia|amphimedon |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
10062944 |
No Cas |
CONCCCCCCCCCCCCC1=CN=CC=C1 |
UHYBQKKGFAMJFK-UHFFFAOYSA-N |
292.25000 |
C18H32N2O |
-3.2782 |
1 |
1 |
34.15 |
15.0 |
21 |
1 |
|
|
| Oridonin |
natural product |
Isodon rubescens|Rabdosia rubescens|Isodon rubescens var. lushiensis|Rubia cordifolia |
Path=BCL2 pathway|CCNB1 pathway|CDK1 pathway|DFFA pathway|EGFR pathway|PARP1 pathway|SIRT1 pathway|AIFM1 pathway|BAX pathway|CASP3 pathway|CASP8 pathway|CYCS pathway|FADD pathway|JUND pathway|MAPK14 pathway|NFKB1 pathway|FAS pathway|SREBF1 pathway|Gen=Others|Cholinesterase - Equus caballus | Acetylcholinesterase - Electrophorus electricus |Org= Mycobacterium phlei | Mycobacterium smegmatis |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Gen=Others |
3D viewer |
Pubchem |
|
15923208 |
No Cas |
CC1(CCC(C23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)O)C |
SDHTXBWLVGWJFT-BAFGBBEMSA-N |
364.19000 |
C20H28O6 |
-1.9745 |
6 |
4 |
107.22 |
6.0 |
26 |
3 |
Oridonin induced A375-S2 cell apoptosis via bax-regulated caspase pathway activation, dependent on the cytochrome c/caspase-9 apoptosome.|Oridonin induces apoptosis of HeLa cells via altering expression of Bcl-2/Bax and activating caspase-3/ICAD pathway.|Anti-proliferation effect of oridonin on HL-60 cells and its mechanism.|Antiproliferation effects of oridonin on HL-60 cells.|Oridonin induces a caspase-independent but mitochondria- and MAPK-dependent cell death in the murine fibrosarcoma cell line L929.|Cytochrome c release from oridonin-treated apoptotic A375-S2 cells is dependent on p53 and extracellular signal-regulated kinase activation. |
|
| Thiocolchicoside |
bioactive compound |
Gloriosa superba |
Path=BCL2 pathway|BCL2L1 pathway|BIRC2 pathway|BIRC3 pathway|CFLAR pathway|MCL1 pathway|NFKB1 pathway|NFKBIA pathway|RELA pathway|XIAP pathway|Gen=GABA Receptor |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|Oral Squamous Cell Carcinoma|Kidney Cancer|Embryonic Kidney Carcinoma|Multiple Myeloma|Multiple Myeloma |Plasmacytoma|Gen=Neuronal Signaling |
3D viewer |
Pubchem |
|
9915886 |
602-41-5 |
CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC4C(C(C(C(O4)CO)O)O)O |
LEQAKWQJCITZNK-UHFFFAOYSA-N |
563.62000 |
C27H33NO10S |
0.446 |
6 |
5 |
189.00 |
7.0 |
39 |
|
Thiocolchicoside is a natural occuring glycoside originated from the flower seeds of superba gloriosa with anti-inflammatory and analgesic properties as well as pronounced convulsant activity. It is also an antagonist of GABAA receptor. |
Thiocolchicine 2-glucoside analog, Coltramyl |
| Xanthanthusin H |
natural product |
Coleus xanthanthus |
|
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia |
3D viewer |
Pubchem |
|
10094991 |
No Cas |
CC(COC(=O)C)C1=C(C(=O)C2=C(C1=O)C(=O)C(=C3C2(CCCC3(C)C)C)O)OC(=O)C |
UUVKKHSAZOSIOH-RQEJEBGASA-N |
444.18000 |
C24H28O8 |
-0.1745 |
8 |
1 |
124.04 |
13.0 |
32 |
3 |
|
|
| Tryprostatin B |
natural product |
Aspergillus fumigatus |
|
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia |
3D viewer |
Pubchem |
|
9863281 |
No Cas |
CC(=CCC1=C(C2=CC=CC=C2N1)CC3C(=O)N4CCCC4C(=O)N3)C |
GLWYBXPXOSKQAW-OALUTQOASA-N |
351.19000 |
C21H25N3O2 |
-0.3344 |
5 |
2 |
68.69 |
7.0 |
26 |
4 |
Novel mammalian cell cycle inhibitors, tryprostatins A, B and other diketopiperazines produced by Aspergillus fumigatus. II. Physico-chemical properties and structures.|Tryprostatin A, a specific and novel inhibitor of microtubule assembly.|Synthesis and evaluation of tryprostatin B and demethoxyfumitremorgin C analogues.|Biological activity of the tryprostatins and their diastereomers on human carcinoma cell lines.|Synthesis and structure-activity relationship studies on tryprostatin A, an inhibitor of breast cancer resistance protein.|Identification of cytochrome P450s required for fumitremorgin biosynthesis in Aspergillus fumigatus. |
|
| Gallic acid |
bioactive compound |
Terminalia arjuna|Punica granatum|Diospyros lotus|Phyllanthus emblica|Rhynchosia volubilis|Caesalpinia ferrea| |
Path=CASP3 pathway|BCL2 pathway|BAX pathway|Gen=ROS |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Kidney Cancer|kidney cancer|Renal Cell Adenocarcinoma|Melanoma|malignant melanoma|Murine Melanoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Non-small Cell Lung Cancer|large cell carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
1G8J 1G8K 4V4C 4V4D |
370 |
149-91-7 |
C1=C(C=C(C(=C1O)O)O)C(=O)O |
LNTHITQWFMADLM-UHFFFAOYSA-N |
170.12000 |
C7H6O5 |
0.733 |
1 |
3 |
98.00 |
1.0 |
12 |
|
Gallic acid, known as powerful antioxidants, is an organic acid found in a variety of foods and herbs. |
3,4,5-Trihydroxybenzoic acid, Gallate, Benzoic acid |
| Chlorolissoclimide |
natural product |
Pleurobranchus forskalii|Pleurobranchus albiguttatus|pleurobranchus forskalii |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Cervical Cancer|Cervical Carcinoma Papilloma |Non-small Cell Lung Cancer |
3D viewer |
Pubchem |
5TBW |
127675 |
148717-91-3 |
CC1(CC(CC2(C1CC(C(=C)C2CC(C3CC(=O)NC3=O)O)O)C)Cl)C |
LCBZIVZSFYGPBC-LWHFJPTFSA-N |
383.19000 |
C20H30ClNO4 |
0.7838 |
5 |
3 |
90.12 |
10.0 |
26 |
3 |
Chemotherapeutic inhibition of erb-B2 oncogene expression on a non-small-cell cancer line (NSCLC-N6) by marine substances. |
|
| Tanshinone I |
natural product |
Salvia miltiorrhizae |Salvia digitaloides|Uvaria klaineana|Cladonia bellidiflora|Artemisia siversiana|Salvia przewalskii var. mandarinorum|Ritterella rubra|Camptothecium lutescens|Salvia flava|Bothriocline longipes|Salvia przewalskll|Salvia przewalskii|Salvia miltiorrhiza|Dioscorea communis|Amentotaxus yunnanensis|Salvia karabachensis|Metzgeria pubescens|Amaranthus hybr|Angelica decursiva|Euphorbia retusa|Glycyrrhiza triphylla|Notholaena dealbata|Peucedanum praeruptorum|Euphorbia sancta|Prunella vulgaris|Combretum indicum|Hydrolithon reinboldii|Picradeniopsis pringlei|Asphodeline tenuior|Pleurophycus gardneri|Salvia bowleyana|Iris hoogiana|Phallusia fumigata|Salvia yunnanensis|Agathosma thymifolia|Salvia castanea|Radix salviae|Peucedani radix|Veronicastrum sibiricum|Vicia sativa|Salvia bulleyana|Allochromatium minutissimum|Delphinium cyphoplectrum|Salvia trijuga|Salvia prionitis|Glycine falcata|Aquilaria sinensis|Stauntonia obovatifoliola|Decachaeta ovatifolia|Deguelia hatschbachii|Rhabdia lycioides|Salvia sinica|Streptomyces lateritius|Palmaria palmata|Salvia sclarea|Senecio madagascariensis|Viburnum sieboldi |
Path=BIRC5 pathway|AKT1 pathway|PIK3R1 pathway|BAX pathway|CASP3 pathway|PARP1 pathway|BCL2 pathway|ICAM1 pathway|VEGFA pathway|TP53 pathway|CYCS pathway|N/A|CASP9 pathway|CCNE1 pathway|CD44 pathway|COL4A2 pathway|GNAL pathway|HRAS pathway|ICAM4 pathway|IL19 pathway|IL8 pathway|JUND pathway|MAP2K3 pathway|MMP2 pathway|MYC pathway|NFKB1 pathway|NRAS pathway|PDGFA pathway|RAC1 pathway|RIPK1 pathway|SHB pathway|TNFRSF10B pathway|AURKA pathway|CCNB1 pathway|CDK1 pathway|Gen=Phospholipase (e.g. PLA)|Acetylcholinesterase - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | SARS coronavirus 3C-like proteinase - SARS coronavirus | Monoglyceride lipase - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Geminin - Homo sapiens | Carboxylesterase 2 - Homo sapiens | Nonstructural protein 1 - Influenza A virus | Microtubule-associated protein tau - Homo sapiens | Streptokinase A - Streptococcus pyogenes serotype M1 | Chromobox protein homolog 1 - Homo sapiens | Protein-tyrosine phosphatase 1C - Homo sapiens | DNA polymerase beta - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Bloom syndrome protein - Homo sapiens | Protein-tyrosine phosphatase 2C - Homo sapiens | Acyl coenzyme A:cholesterol acyltransferase - Homo sapiens | Serine/threonine-protein kinase PLK1 - Homo sapiens | DNA polymerase eta - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Protease - Human immunodeficiency virus 1 | P-glycoprotein 1 - Homo sapiens | Glycoprotein hormones alpha chain - Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens | DNA polymerase iota - Homo sapiens | Vitamin D receptor - Homo sapiens | Telomerase reverse transcriptase - Homo sapiens | DNA polymerase kappa - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 - Homo sapiens |Org= Plasmodium falciparum | Saccharomyces cerevisiae | Streptococcus sp. 'group A' | Streptococcus |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|multidrug-resistant CEM/ADR5000 leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Breast Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Lung Epithelial Carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=Metabolism |
3D viewer |
Pubchem |
4M0E |
114917 |
568-73-0 |
CC1=CC=CC2=C1C=CC3=C2C(=O)C(=O)C4=C3OC=C4C |
AIGAZQPHXLWMOJ-UHFFFAOYSA-N |
276.08000 |
C18H12O3 |
0.6023 |
2 |
0 |
47.28 |
2.0 |
21 |
4 |
Isolation and bioactivity of new tanshinones.|[A preliminary study of the anti-cancer effect of tanshinone on hepatic carcinoma and its mechanism of action in mice].|Tanshinone IIA isolated from Salvia miltiorrhiza BUNGE induced apoptosis in HL60 human premyelocytic leukemia cell line.|Tanshinone II-A inhibits low density lipoprotein oxidation in vitro.|Inhibition of interleukin-12 and interferon-gamma production in immune cells by tanshinones from Salvia miltiorrhiza.|Analysis of bioactive components in traditional Chinese medicines by molecular biochromatography with alpha1-acid glycoprotein stationary phase. |
Tanshinone I|568-73-0|Tanshinone A|Tanshinon I|Tanshinone|1,6-Dimethylphenanthro1,2-bfuran-10,11-dione|Tanshinquinone I|UNII-03UUH3J385|MLS000697676|AIGAZQPHXLWMOJ-UHFFFAOYSA-N|03UUH3J385|C18H12O3|1,6-dimethylnaphtho1,2-gbenzofuran-10,11-dione|1,6-dimethylnaphtho1,2-g1benzofuran-10,11-dione|SMR000445578|1,6-Dimethylphenanthro(1,2-b)furan-10,11-dione|Q-100655|Phenanthro(1,2-b)furan-10,11-dione, 1,6-Dimethyl-|Phenanthro1,2-bfuran-10,11-dione, 1,6-dimethyl-|Tanshinone-I|Tanshinone I,(S)|AC1Q6KHL|AC1L3G7B|MLS006011773|SCHEMBL244391|CHEMBL363535|cid_114917|AIGAZQPHXLWMOJ-UHFFFAOYSA-|BDBM51317|CTK8D7866|Tanshinone I, analytical standard|MolPort-002-507-609|HMS2222J14|HMS3656A11|Tanshinone I, >=98% (HPLC)|BCP28292|HY-N0134|ZINC2558154|BBL010133|MFCD00210563|s2364|STK801472|AKOS005613012|AC-7999|AN-8420|API0004323|MCULE-4980744982|NCGC00247624-01|NCGC00247624-02|NCGC00247624-03|AK168189|CC-34640|SC-46514|LS-175777|TR-019912|FT-0632407|N1845|SW219821-1|V1541|568T730|A831218|C-17390|1,6-Dimethyl-phenanthro1,2-bfuran-10,11-dione|I14-1415|1,6-dimethylnaphtho1,2-gbenzofuran-10,11-quinone|1,6-Dimethylphenanthro1,2-bfuran-10,11-dione #|Phenanthro1,2-bfuran-10,11-dione,1,6-dimethyl-|6,14-dimethyl-12-oxatetracyclo8.7.0.0^{2,7}.0^{11,15}heptadeca-1(10),2,4,6,8,11(15),13-heptaene-16,17-dione|6,14-dimethyl-12-oxatetracyclo8.7.0.02,7.011,15heptadeca-1,3,5,7,9,11(15),13-heptaene-16,17-dione|InChI=1/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-8H,1-2H3| |
| 22Beta-Senecioyloxy-3-Oxo-Olean-12-En-28-Oic Acid |
natural product |
Lantana camara|Mulguraea tridens|Dacryodes normandii|Riccia fluitans|Cordia multispicata |
|
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Carcinoma Papilloma |Colorectal Cancer|Colorectal Adenocarcinoma |
3D viewer |
Pubchem |
|
15560077 |
467-82-3 |
CC(=CC(=O)OC1CC(CC2C1(CCC3(C2=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C)C(=O)O)(C)C)C |
VYPAPFHUHDWCBI-QQAPFUPGSA-N |
552.38000 |
C35H52O5 |
3.9451 |
5 |
1 |
80.67 |
14.0 |
40 |
5 |
Synthesis, selective cancer cytotoxicity and mechanistic studies of novel analogs of lantadenes.|Novel lung adenocarcinoma and nuclear factor-kappa B (NF-B) inhibitors: synthesis and evaluation of lantadene congeners.|Synthesis of lantadene analogs with marked in vitro inhibition of lung adenocarcinoma and TNF- induced nuclear factor-kappa B (NF-B) activation. |
|
| (7Z)-Lobohedleolide |
natural product |
Lobophytum crassum|Lobophytum hedleyi|Lobophytum |
Org=Human immunodeficiency virus 1 |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Org=Human immunodeficiency virus 1 |
3D viewer |
Pubchem |
|
6475568 |
No Cas |
CC1=CCCC(=CCCC(=CC2C(CC1)C(=C)C(=O)O2)C)C(=O)O |
SORYERHBQFTRIK-JMQTVVQQSA-N |
330.18000 |
C20H26O4 |
2.8791 |
4 |
1 |
63.60 |
4.0 |
24 |
2 |
HIV-inhibitory cembrane derivatives from a Philippines collection of the soft coral Lobophytum species. |
(7Z)-lobohedleolide|Lobohedleolide|CHEBI:66586|(3aS,6E,10Z,14E,15aS)-6,14-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,12,13,15a-decahydrocyclotetradecabfuran-10-carboxylic acid|AC1O51SQ|CHEMBL524633|6,14-Dimethyl-3-methylene-2-oxo-4,5,8,9,12,13,15a,3a-octahydrocyclotetradeca2,1-bfuran-10-carboxylic acid|ZINC31165522|(3aS,6E,10Z,14E,15aS)-6,14-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradecabfuran-10-carboxylic acid|(3aS,6E,10Z,14E,15aS)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradecabfuran-10-carboxylic acid |
| Resveratrol |
bioactive compound |
Vitis vinifera|Polygonum cuspidatum|Veratrum grandiflorum|Eucalyptus wandoo|Sinularia depressa|Daemonorops draco|Semen phaseoli|Picea glehnii|Rumex maritimus|Dryopteris crassirhizoma|Pleuropterus ciliinervis|Veratrum nigrum var. ussuriense|Gnetum latifolium|Hedysarum connatum|Humulus lupulus|Pseudoalteromonas luteoviolacea|Cassia dentata|Trifolium dubium|Sphaerella laricina|Hypericum laricifolium|Morus alba|Testa arachidis hypogaeae|Artemisia assoana|Adansonia grandidieri|Oroxylum indicum|Caragana tibetica|Aconitum seravschanicum|Dumortiera hirsuta|Ampelopsis glandulosa var. brevipedunculata|Rheum wittrocki|Senecio subdentatus|Streptomyces avermitilis|Fallopia multiflora|Arachis hypogaea|Drechslera avenae|Swertia franchetiana|Bassia muricata|Rheum coreanum|Cudrania javanensis|Sabina sargentii|Adiantum lunulatum|Rheum officinale|Nasutitermes ephratae|Bishovia boliviensis|Rheum palmatum|Vitis spp.|Acacia adunca|Chaenomeles sinensis|Rheum tanguticum|Veratrum album|Vatica rassak|Onobrychis arenaria|Caragana aurantiaca|Rubia cordifolia|Annona cornifolia|Eucalyptus melliodora|Smilax china|Broussonetia papyrifera|Vitis spp|Peltostigma guatemalense|Marrubium anisodon|Lavandula vera|Smilax glabra|Rauvolfia vomitoria|Biancaea decapetala|Ampelopsis brevipedunculata|Wikstroemia retusa|Cotyledon secunda|Vigna angularis|Enceliopsis argophylla|Caesalpinia decapetala|Pastinaca sativa|Calostephane divaricata|Vigna umbellata|Anacystis montana|Polygonum multiflorum|Naucleopsis ternstroemiiflora|Salvia syriaca|Vigna umbeuata|Laurencia spectabilis|Dictyopteris australis|Cytophaga hutchinsoni|Asterospicularia laurae|Scutellaria amoena|Eria mollis|Solanum laxum|Artocarpus dadah|Lepisorus ussuriensis|Amathia pinnata|Gnetum parvifolium|Alstonia spathulata|Gadus morhua callarias|Miliusa velutina|Phoebe pittieri|Aphyllocladus denticulatus|Eriocheir sinensis|Epichloe festucae var. lolii|Blastochloris viridis|Astragalus sempervirens|Dendriopoterium menendezii|Physalis alkekengi|Psychotria stachyoides|Olibanun|Premna odorata|Goniothalamus malayanus|Rivularia firma|Boehmeriae rhizoma et radix|Pinus sibirica|Justicia secunda|Aster sedifolius|Leathesia nana|Polygoni cuspidati rhizoma et radix|Ipomoea digitata|Neobalanocarpus heimii|Isaria fumosorosea|Zanthoxylum tetraspermum|Ampelopsis japonica|Aconitum tasiromontanum|Viguiera incana|Dodonaea viscosa|Smilax menispermoidea|Flacourtia jangomas|Dysoxylum cumingianum|Belamcandae rhizome|Radix cudraniae|Teucrium yemense|Helipterum roseum|Mori fructus|Lysimachia mauritiana|Rattus rattus|Iris domestica|Caulocystis cephalornithos|Vaccinium oxycoccos|Bulla striata| |
Gen=Autophagy|NAD(P)H dehydrogenase [quinone] 1 - Mus musculus | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Survival motor neuron protein - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Cytochrome P450 1A2 - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Cytochrome P450 2C19 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Pyruvate kinase - Leishmania mexicana | Lysine-specific demethylase 4D-like - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Prelamin-A/C - Homo sapiens | Cytochrome P450 19A1 - Homo sapiens | Monoamine oxidase B - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Histone acetyltransferase GCN5 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens |Org= Plasmodium falciparum|Carbonic anhydrase II - Homo sapiens | Carbonic anhydrase XIV - Homo sapiens | Carbonic anhydrase I - Homo sapiens | Carbonic anhydrase 15 - Mus musculus | Carbonic anhydrase VA - Homo sapiens | Carbonic anhydrase VB - Homo sapiens | Carbonic anhydrase IV - Homo sapiens | Carbonic anhydrase III - Homo sapiens | Carbonic anhydrase XII - Homo sapiens | Carbonic anhydrase XIII - Homo sapiens | Carbonic anhydrase VI - Homo sapiens | Carbonic anhydrase VII - Homo sapiens | Carbonic anhydrase IX - Homo sapiens| Chromobox protein homolog 1 - Homo sapiens | NAD-dependent deacetylase sirtuin 1 - Homo sapiens | Prenyltransferase homolog - Streptomyces coelicolor A3 | Estrogen receptor beta - Homo sapiens | Beta amyloid A4 protein - Homo sapiens | P-glycoprotein 1 - Homo sapiens | Protein-tyrosine phosphatase 1B - Homo sapiens | Cyclooxygenase-1 - Homo sapiens | Tyrosine-protein kinase LCK - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | 78 kDa glucose-regulated protein - Homo sapiens | Cyclooxygenase-1 - Ovis aries | Tyrosinase - Agaricus bisporus | Cyclooxygenase-2 - Homo sapiens | Transient receptor potential cation channel subfamily A member 1 - Rattus norvegicus | Androgen Receptor - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Regulator of G-protein signaling 4 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | M-phase phosphoprotein 8 - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Zinc finger protein mex-5 - Caenorhabditis elegans | Aryl hydrocarbon receptor - Oryctolagus cuniculus | Monoamine oxidase A - Homo sapiens | Niemann-Pick C1 protein - Homo sapiens | Serine/threonine-protein kinase mTOR - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Ornithine decarboxylase - Homo sapiens | Apoptosis regulator Bcl-X - Homo sapiens | Alpha-1d adrenergic receptor - Rattus norvegicus | Arachidonate 15-lipoxygenase, type II - Homo sapiens | Leukotriene A4 hydrolase - Homo sapiens | N1L - Vaccinia virus | Huntingtin - Homo sapiens | M18 aspartyl aminopeptidase - Plasmodium falciparum 3D7 | Norepinephrine transporter - Homo sapiens | Nitric oxide synthase, inducible - Mus musculus | Nuclear receptor ROR-gamma - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Large T antigen - Simian virus 40 | Carbonic anhydrase II - Homo sapiens | Bcr/Abl fusion protein - Homo sapiens | Tyrosinase - Mus musculus | Ras-related protein Rab-9A - Homo sapiens | NAD-dependent deacetylase sirtuin 2 - Homo sapiens | Cytochrome P450 1A1 - Homo sapiens | Cyclooxygenase-2 - Ovis aries | Sucrase-isomaltase - Rattus norvegicus | Tyrosinase - Homo sapiens | Cholinesterase - Equus caballus | Acidic alpha-glucosidase - Rattus norvegicus | Cerebroside-sulfatase - Homo sapiens | Lysosomal alpha-glucosidase - Homo sapiens | FAD-linked sulfhydryl oxidase ALR - Homo sapiens | Peripheral myelin protein 22 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | Quinone reductase 2 - Homo sapiens | Bloom syndrome protein - Homo sapiens | Cytochrome P450 1B1 - Homo sapiens | Protein kinase C alpha - Homo sapiens | Cathepsin L - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | Canalicular multispecific organic anion transporter 1 - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Carbonic anhydrase IX - Homo sapiens | 6-phospho-1-fructokinase - Trypanosoma brucei |Org= Filobasidiella neoformans | Pseudomonas aeruginosa PAO1 | Streptococcus mutans | Plasmodium falciparum | Candida albicans SC5314 | Helicobacter pylori | Neofusicoccum luteum | Human immunodeficiency virus 1 | Chromobacterium violaceum | Neisseria gonorrhoeae | Candida albicans | Streptococcus sanguinis | Staphylococcus aureus | Tetrahymena thermophila | Saccharomyces cerevisiae | Agrobacterium tumefaciens | Pseudomonas aeruginosa | Leishmania donovani |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Non-Melanoma Skin Cancers|Fibroblast|Non-small Cell Lung Cancer|Lewis Lung carcinoma |Gen=Autophagy |
3D viewer |
Pubchem |
4JAZ 1DVS 4QOH 4QOJ |
445154 |
501-36-0 |
C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O |
LUKBXSAWLPMMSZ-UHFFFAOYSA-N |
228.24000 |
C14H12O3 |
3.09 |
0 |
3 |
60.70 |
2.0 |
17 |
2 |
Resveratrol has a wide spectrum of targets including cyclooxygenases(i.e. COX, IC50=1.1 ?M), lipooxygenases?LOX, IC50=2.7 ?M?, kinases, sirtuins and other proteins. It has anti-cancer, anti-inflammatory, blood-sugar-lowering and other beneficial cardiovascular effects. |
N/A |
| Ponicidin |
natural product |
Rabdosia rubescens|Isodon adenolomus|Isodon xerophilus|Isodon rubescens |
Path=CEBPB pathway|none|RARA pathway|CCNB1 pathway|CDK1 pathway|E2F1 pathway|RB1 pathway|BCL2 pathway|BIRC5 pathway|PARP1 pathway|BAX pathway|CASP3 pathway|CASP8 pathway|CASP9 pathway|CYCS pathway|EGFR pathway| |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Skin Cancer|Skin Epidermoid Carcinoma |
3D viewer |
Pubchem |
|
44445768 |
No Cas |
CC1(CCC(C23C1C(C4(C56C2CCC(C5OC3O4)C(=C)C6=O)O)O)O)C |
WHRDRHNMTIXZNY-AQWYIEOXSA-N |
362.17000 |
C20H26O6 |
-1.5477 |
6 |
3 |
96.22 |
5.0 |
26 |
3 |
Antiproliferation effects of ponicidin on human myeloid leukemia cells in vitro.|Ponicidin, an ent-kaurane diterpenoid derived from a constituent of the herbal supplement PC-SPES, Rabdosia rubescens, induces apoptosis by activation of caspase-3 and mitochondrial events in lung cancer cells in vitro.|DNA binding and cleavage properties of ponicidin.|[Apoptosis inducing effect of ponicidin in leukemia K562 cells and its mechanisms of action].|Structure and cytotoxicity of diterpenoids from Isodon adenolomus. |
|
| Liriodendrtachioside |
natural product |
Kalopanax pictus|Eleutherococcus senticosus|Chrysanthemum indicum|Chrysanthemum x morifolium|Gentiana crassicaulis|Gentiana dahurica|Gentiana macrophylla|Gentiana straminea|Kalopanax septemlobus|Vigna angularis|Vigna umbellata|Vigna umbeuata|Linaria vulgaris|Morus alba|Semen phaseoli|Glycyrrhiza glabra|Eucommia ulmoides|Phlomis brunneogaleata|Cistanche deserticola|Iodes cirrhosa|Syringa reticulata|Acanthopanax senticosus |
Sphingomyelin phosphodiesterase - Homo sapiens | Geminin - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma |
3D viewer |
Pubchem |
|
44202792 |
No Cas |
COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C3C4COC(C4CO3)C5=CC(=C(C(=C5)OC)OC6C(C(C(C(O6)CO)O)O)O)OC |
FFDULTAFAQRACT-IHHOVKAUSA-N |
742.27000 |
C34H46O18 |
-5.6196 |
12 |
8 |
254.14 |
24.0 |
52 |
6 |
Microsphere-based protease assays and screening application for lethal factor and factor Xa.|High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.|Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
|
| (8S,8's)-Dihydroguaiaretic Acid |
natural product |
Myristica fragrans |
Org=Bacillus subtilis | Lolium multiflorum | Colletotrichum lagenarium | Staphylococcus aureus | Fusarium solani | Alternaria alternata | Culex pipiens |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Org=Bacillus subtilis | Lolium multiflorum | Colletotrichum lagenarium | Staphylococcus aureus | Fusarium solani | Alternaria alternata | Culex pipiens |
3D viewer |
Pubchem |
|
12898412 |
121209-88-9 |
CC(CC1=CC(=C(C=C1)O)OC)C(C)CC2=CC(=C(C=C2)O)OC |
ADFOLUXMYYCTRR-KBPBESRZSA-N |
330.18000 |
C20H26O4 |
-0.115 |
0 |
2 |
58.92 |
13.0 |
24 |
2 |
|
(+)-Dihydroguaiaretic acid|UNII-7LDG4N771R|7LDG4N771R|(+/-)-Dihydroguaiaretic acid|121209-88-9|Dihydroguaiaretic acid, (+)-|CHEMBL3810128|Dihydroguaiaretic acid, (+/-)-|ZINC1863454|FT-0696052|UNII-5WX8O8A2DR component ADFOLUXMYYCTRR-KBPBESRZSA-N|Phenol, 4,4'-((2S,3S)-2,3-dimethyl-1,4-butanediyl)bis(2-methoxy-|Phenol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis(2-methoxy-, (R*,R*)-|Phenol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis(2-methoxy-, (R*,R*)-(+/-)-|Phenol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis(2-methoxy-, (S-(R*,R*))-|174291-55-5| |
| Epinodosin |
natural product |
Isodon rubescens|Isodon sculponeatus|Isodon sinuolata|Psydrax livida|Carcinus maenas|Isodon japonica|Isodon rubescens var. lushanensis|Lsodon japonica|Cereus stellatus|Rabdosia macrophylla|Crotalaria laburnifolia|Arctotheca calendula|Daphniphyllum calycinum|Crematogaster brevis|Meloidogyne incognita|Urceolaria scruposa|Xylosalsola arbuscula|Boletus bovinus|Ozothamnus obcordatus|Melampodium argophyllum|Quercus pedunculata|Danae racemosa|Elaeagnus orientalis |
|
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Acute Myeloid Leukemia |
3D viewer |
Pubchem |
|
9975896 |
20086-60-6 |
CC1(CCC2C3(C1C(OC3)O)C4C(CC5CC4(C(=O)C5=C)C(=O)O2)O)C |
WZYJEEIAFBHYJS-YXZSDFPZSA-N |
362.17000 |
C20H26O6 |
-0.8202 |
6 |
2 |
93.06 |
4.0 |
26 |
5 |
|Enmein-type 6,7-seco-ent-kauranoids from Isodon sculponeatus. |
|
| Buddledin D |
natural product |
Subergorgia suberosa| |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
5352041 |
62346-22-9 |
CC1=CCCC(=C)C2CC(C2CC1=O)(C)C |
KXSUIPOSVGSLQP-CUOXCHRPSA-N |
218.17000 |
C15H22O |
2.6819 |
1 |
0 |
17.07 |
3.0 |
16 |
2 |
|
Buddledin D|UNII-O9R6KL2I9S|O9R6KL2I9S|62346-22-9|NSC314035|NSC 314035|AC1NS1MK|CHEMBL464833|(1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo7.2.0undec-4-en-3-one|Bicyclo(7.2.0)undec-4-en-3-one, 4,11,11-trimethyl-8-methylene-, (1R,4E,9S)-|62413-96-1| |
| Oleanolic Acid |
bioactive compound |
Plantago major|Viburnum awabuki|Prunus dulcis|Olea europaea|Pygeum africanum|Achyranthes bidentata|Achyranthes fauriei|Achyranthes japonica| |
Path=AR pathway|Beta-lactamase AmpC - Escherichia coli K-12 | Streptokinase A - Streptococcus pyogenes serotype M1 | Rap guanine nucleotide exchange factor 4 - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | DNA polymerase beta - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus |Org= Plasmodium falciparum | Streptococcus | Streptococcus sp. 'group A'|Glycogen phosphorylase, muscle form - Oryctolagus cuniculus | Protein-tyrosine phosphatase 1B - Homo sapiens | T-cell protein-tyrosine phosphatase - Homo sapiens |Org= Staphylococcus aureus | Mycobacterium tuberculosis | Mycobacterium tuberculosis H37Rv | Plasmodium falciparum | Bacillus subtilis |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|Gen=Microbiology |
3D viewer |
Pubchem |
|
10494 |
508-02-1 |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C |
MIJYXULNPSFWEK-GTOFXWBISA-N |
456.70000 |
C30H48O3 |
6.282 |
1 |
1 |
57.50 |
1.0 |
33 |
5 |
Oleanolic Acid is a non-toxic, hepatoprotective triterpenoid found in Phytolacca Americana, which exerts antitumor and antiviral properties. |
Caryophyllin |
| Cespitularin B |
natural product |
Cespitularia hypotentaculata|Thymus borgiae|Lactarius glyciosmus|Fagus dombeyi|Thorecta reticulata|Beschorneria bracteata|Acacia cyperophylla|Quercus lusitanica|Pseudocyphellaria granulata|Tanacetum microphyllum|Rhipidothuria racowitzai|Usnea ceratina|Crucigenia apiculata|Ottonia vahlii|Aster patagonicus|Persicaria tomentosa|Hedypnois rhagadioloides|Cyclolepis genistoides|Michelia excelsa|Solanum vespertilio|Phyllanthus oxyphyllus|Dahlia sherffii|Heterophragma quadriloculare|Picris kamtschatica|Cystodytes solitus|Debregeasia salicifolia|Agathosma lanceolata|Balanophora indica|Noctiluca scintillans|Flagelloscypha pilatii |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
21776604 |
No Cas |
CC1=CCCC(=C)CCC2CCC3=COC(=C3C2(C)C)C1 |
MHENRDVDYDHIBZ-SXKJYUOZSA-N |
284.21000 |
C20H28O |
3.1553 |
0 |
0 |
13.14 |
3.0 |
21 |
3 |
|
|
| Sculponeatin A |
natural product |
Isodon sculponeatus|Xylosalsola arbuscula|Carcinus maenas|Meloidogyne incognita|Melampodium argophyllum|Danae racemosa|Arctotheca calendula|Psydrax livida|Crematogaster brevis|Elaeagnus orientalis|Ozothamnus obcordatus|Quercus pedunculata|Daphniphyllum calycinum|Crotalaria laburnifolia|Boletus bovinus|Urceolaria scruposa|Cereus stellatus|Phlomis umbrosa|Isodon sculponeata |
|
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
15922655 |
85287-60-1 |
CC12CCC3C4(C1C(OC2)OC4)C5C(CC6CC5(C(=O)C6=C)C(=O)O3)O |
VITOUEAQSWAQLD-ZIFJAMSESA-N |
360.16000 |
C20H24O6 |
-1.1444 |
6 |
1 |
82.06 |
2.0 |
26 |
6 |
|
|
| n.a. |
natural product |
Gardneria ovata |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
54584049 |
No Cas |
CC=C1CN2C3CC1C4C2CC35C6=CC(=CC(=C6N=C5OC4)OC)OC |
HBPGSKLHBXLGBP-RMPARDTOSA-N |
352.18000 |
C21H24N2O3 |
0.2186 |
3 |
0 |
43.29 |
5.0 |
26 |
4 |
|
|
| Eupatolide |
natural product |
Inula britannica |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma |
3D viewer |
Pubchem |
|
5281460 |
6750-25-0 |
CC1=CC2C(C(CC(=CCC1)C)O)C(=C)C(=O)O2 |
PDEJECFRCJOMEN-OURLZOILSA-N |
248.14000 |
C15H20O3 |
1.7624 |
3 |
1 |
46.53 |
3.0 |
18 |
2 |
Use of self-organizing maps and molecular descriptors to predict the cytotoxic activity of sesquiterpene lactones.|Eupatolide inhibits lipopolysaccharide-induced COX-2 and iNOS expression in RAW264.7 cells by inducing proteasomal degradation of TRAF6. |
|
| 15Alpha-Hydroxyholamine |
natural product |
Holarrhena curtisii |
Org=Leishmania donovani |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Org=Leishmania donovani |
3D viewer |
Pubchem |
|
10735286 |
No Cas |
CC(=O)C1CC(C2C1(CCC3C2CC=C4C3(CCC(C4)N)C)C)O |
RDMMFHMRRFIWLP-DYJFIGRHSA-N |
331.25000 |
C21H33NO2 |
-0.7949 |
3 |
2 |
63.32 |
6.0 |
24 |
4 |
|
|
| Desmethoxyyangonin |
natural product |
Piper methysticum|Boesenbergia pandurata|Alpinia blepharocalyx|Cynoglossum macrostylum|Maclura cochinchinensis|Euphorbia hylonoma|Lindera umbellata|Heliotropium scabrum|Rubia akane|Dialium excelsum|Helleborus macranthus|Alpinia speciosa|Salvia virgata|Campanula choziatowskyi|Petunia axillaris subsp. parodii|Preussia terricola|Abies balsamea|Etmopterus spinax|Matricaria sabulosa|Mimosa pigra|Thalassiosira weissflogii|Pulsatilla chinensis|Beilschmiedia madang|Alpinia katsumadai hayat|Etlingera elatior|Dysidea fragilis|Centaurea sonchifolia|Salvia patens|Boswellia ovalifoliolata|Parmotrema nilgherrense|Mucuna holtonii|Aniba santalodora|Drymaria cordata|Nepytia freemani|Bethencourtia palmensis|Senecio platyphylloides|Colchicum filifolium|Lonchocarpus chiricanus|Esox lucius|Podocarpus dacrydioides|Matsucoccus josephi|Sphaeria rousseliana|Lactarius mitissimus|Amorphophallus konjac|Orgyia pseudotsugata|Erythrina hypaphorus|Centaurea scoparia|Salvia lavanduloides|Didymocarpus pedicellata|Pterocaulon serrulatum|Salix rosmarinifolia|Astragalus circassicus|Lepechinia urbanii|Quercus marilandica|Mentzelia decapetala|Lemonia spectabilis|Hardenbergia violacea|Iris kashmiriana |
Path=ABCB1 pathway|NFKB1 pathway|Cholinesterase - Equus caballus | Acetylcholinesterase - Electrophorus electricus | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Androgen Receptor - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Nuclear receptor ROR-gamma - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Retinoid X receptor alpha - Homo sapiens | Bile acid receptor FXR - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Nuclear receptor subfamily 1 group I member 2 - Rattus norvegicus | Peroxisome proliferator-activated receptor delta - Homo sapiens | Aryl hydrocarbon receptor - Homo sapiens | Survival motor neuron protein - Homo sapiens |Org= Trichoderma viride | Fusarium oxysporum | Trypanosoma brucei rhodesiense | Plasmodium falciparum (isolate K1 / Thailand) | Leishmania donovani | Colletotrichum gloeosporioides | Fusarium solani | Echinochloa crus-galli | Mycobacterium tuberculosis | Pythium | Mycobacterium tuberculosis H37Rv | Lactuca sativa | Athelia rolfsii | Trypanosoma cruzi |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Org=Trichoderma viride | Fusarium oxysporum | Trypanosoma brucei rhodesiense | Plasmodium falciparum (isolate K1 / Thailand) | Leishmania donovani | Colletotrichum gloeosporioides | Fusarium solani | Echinochloa crus-galli | Mycobacterium tuberculosis | Pythium | Mycobacterium tuberculosis H37Rv | Lactuca sativa | Athelia rolfsii | Trypanosoma cruzi |
3D viewer |
Pubchem |
|
5273621 |
15345-89-8 |
COC1=CC(=O)OC(=C1)C=CC2=CC=CC=C2 |
DKKJNZYHGRUXBS-BQYQJAHWSA-N |
228.08000 |
C14H12O3 |
0.2602 |
3 |
0 |
35.53 |
4.0 |
17 |
2 |
Herbicidal and Fungicidal Activities of Lactones in Kava (Piper methysticum).|Death receptor 5 promoter-enhancing compounds isolated from Catimbium speciosum and their enhancement effect on TRAIL-induced apoptosis.|Identification of methysticin as a potent and non-toxic NF-kappaB inhibitor from kava, potentially responsible for kava's chemopreventive activity.|HIV-1 integrase and neuraminidase inhibitors from Alpinia zerumbet.|Anti-influenza activity of marchantins, macrocyclic bisbibenzyls contained in liverworts.|Synthesis and antimalarial and antituberculosis activities of a series of natural and unnatural 4-methoxy-6-styryl-pyran-2-ones, dihydro analogues and photo-dimers. |
Desmethoxyyangonin|5,6-Dehydrokawain|Demethoxyyangonin|15345-89-8|Desmethoxy Yangonin|UNII-F2MBQ8QRUN|4-Methoxy-6-styryl-2H-pyran-2-one|5,6-Dehydrokavain|NSC 112161|(E)-4-Methoxy-6-styryl-2H-pyran-2-one|F2MBQ8QRUN|trans-5,6-Dehydrokawain|(E)-4-Methoxy-6-(2-phenylethenyl)-2H-pyran-2-one|2H-Pyran-2-one, 4-methoxy-6-(1E)-2-phenylethenyl-|CHEBI:1995|1952-41-6|2H-Pyran-2-one, 4-methoxy-6-styryl-, (E)-|4-methoxy-6-(2-phenylethenyl)-2h-pyran-2-one|4-methoxy-6-(E)-2-phenylethenylpyran-2-one|DMY|2H-Pyran-2-one, 4-methoxy-6-(2-phenylethenyl)-, (E)-|2H-Pyran-2-one, 4-methoxy-6-(2-phenylethenyl)-, (E)- (9CI)|5,6-Dihydro-5-hydroxy-6-methyl-2H-pyran-2-one|4-methoxy-6-(E)-2-phenylvinyl-2H-pyran-2-one|4-methoxy-6-(E)-2-phenylethenyl-2H-pyran-2-one|26531-51-1|CCRIS 9369|Desmethoxyangonin|5,6-Dehydrokawin|Yangonin, demethoxy-|AC1NRVA2|DSSTox_CID_13390|DSSTox_RID_79070|DSSTox_GSID_33390|SCHEMBL236641|AC1Q69K8|CHEMBL254218|DTXSID4033390|DKKJNZYHGRUXBS-BQYQJAHWSA-N|MolPort-016-638-410|ZINC899562|HY-N0918|NSC68686|Tox21_200296|8029AH|9332AF|NSC 68686|NSC-68686|NSC112161|AKOS015896811|Desmethoxyyangonin, analytical standard|CCG-208562|CS-4242|MCULE-7908006221|NSC-112161|4-methoxy-6-(E)-styrylpyran-2-one|NCGC00091904-01|NCGC00091904-02|NCGC00257850-01|CC-20905|ZB015163|4-Methoxy-6-styryl-(E)-2H-Pyran-2-one|CAS-15345-89-8|LS-127466|4-methoxy-6-(E)-2-phenylvinyl-2-pyranone|C09925|4-methoxy-6-(E)-2-phenylethenyl-2-pyranone|345D898|A809430|SR-05000002195|2H-Pyran-2-one, 4-methoxy-6-(2-phenylethenyl)-|I07-0159|SR-05000002195-2|4-Methoxy-6-(2-phenylethenyl)-(E)-2H-Pyran-2-one|4-Methoxy-6-(1E)-2-phenylethenyl-2H-pyran-2-one|2H-Pyran-2-one, 4-methoxy-6-(E)-2-phenylethenyl-|NCGC00091904-06!4-methoxy-6-(E)-2-phenylethenylpyran-2-one| |
| Emblide |
natural product |
Sarcophyton ehrenbergi|Sarcophyton crassocaule|Lobophytum laevigatum |
|
Dis=Cervical Cancer|Cervical Adenocarcinoma|Cervical Carcinoma Papilloma |Chronic Myelogenous Leukemia|Human umbilical vein endothelial cell |
3D viewer |
Pubchem |
|
44559144 |
No Cas |
CC(C)C1=CC=C(CCC(C2(CCC=C(CC1)C(=O)O2)C)OC(=O)C)C(=O)OC |
GCDVQIVAHBRSQZ-CKBUPLLASA-N |
404.22000 |
C23H32O6 |
1.743 |
6 |
0 |
78.90 |
10.0 |
29 |
2 |
|
|
| 5-[3-(1,3-Benzodioxol-5-Yl)-1,3,3A,4,6,6A-Hexahydrofuro[3,4-C]Furan-6-Yl]-1,3-Benzodioxole |
natural product |
Zanthoxylum americanum|Sesamum indicum|Asiasarum heterotropoides|Cuscuta chinensis|Piper longum|Eleutherococcus gracilistylus|Eleutherococcus senticosus|Acanthopanax sessiliflorum|Asarum heterotropoides|Asarum sieboldii|Asiasarum sieboldii|Cuscuta australis |
Path=AKT1 pathway|HIF1A pathway|IL6 pathway|IL8 pathway|MAPK14 pathway|MMP9 pathway|NFKB1 pathway|TNF pathway|VEGFA pathway|TFF1 pathway|BCL2 pathway|BIRC5 pathway|CCND1 pathway|ICAM1 pathway|NFKB2 pathway|NFKBIA pathway|RELA pathway|PTGS2 pathway|Gen=Others|Chromobox protein homolog 1 - Homo sapiens | TAR DNA-binding protein 43 - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Glucagon-like peptide 1 receptor - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | DNA polymerase iota - Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens|Glucagon-like peptide 1 receptor - Homo sapiens | Geminin - Homo sapiens | Parathyroid hormone receptor - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Multiple Myeloma|Plasmacytoma|Multiple Myeloma |Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Lung Epithelial Carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|prostate Carcinoma|mouse tumor model|mouse skin and pulmonary tumor|Gen=Others |
3D viewer |
Pubchem |
234D 235D 215D 2DES |
5204 |
No Cas |
C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6 |
PEYUIKBAABKQKQ-UHFFFAOYSA-N |
354.11000 |
C20H18O6 |
-1.6034 |
2 |
0 |
55.38 |
2.0 |
26 |
6 |
Effects of sesamin on the fatty acid composition of the liver of rats fed N-6 and N-3 fatty acid-rich diet.|Protective effects of sesamin against liver damage caused by alcohol or carbon tetrachloride in rodents.|Sesame seed and its lignans produce marked enhancement of vitamin E activity in rats fed a low alpha-tocopherol diet.|Interaction of sesamin and eicosapentaenoic acid against delta 5 desaturation and n-6/n-3 ratio of essential fatty acids in rat.|Sesame lignans modulate cholesterol metabolism in the stroke-prone spontaneously hypertensive rat.|Inhibitory effects of shouseiryu-to on two-stage carcinogenesis. II. Anti-tumor-promoting activities of lignans from Asiasarum heterotropoides var. mandshuricum. |
d-Sesamin|DESAMIN|PSEUDO CUBEBIN|Asarinin|Sesamin, (+)-|NSC640330|D-(+)-Sesamin|NSC36403|2,6-Bis(3,4-methylenedioxyphenyl)-3,7-dioxabicyclo(3.3.0)octane|5-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro3,4-cfuran-6-yl-1,3-benzodioxole|(+)-Segamin|7076-24-6|AC1L1JTU|1,3-Benzodioxole, 5,5'-(tetrahydro-1H,3H-furo3,4-cfuran-1,4-diyl)bis-|AC1Q70QE|SCHEMBL94518|MLS002473155|CHEMBL1904496|CTK8D6365|MolPort-004-955-154|PEYUIKBAABKQKQ-UHFFFAOYSA-N|HMS2270B16|HMS3336K07|HMS3369D21|1H,3H-Furo(3,4-c)furan, tetrahydro-1,4-bis(3,4-(methylenedioxy)phenyl)-, (1S,3aR,4S,6aR)-|KS-00000KY2|CS0025|NSC-36403|AKOS000277435|AKOS024282464|AC-6079|EBD2138485|NSC-640330|AK608264|AN-10368|AN-43703|NCI60_013439|SC-46060|SMR001397247|ST056296|FT-0603489|I05-0035|I07-0153|1,4-Bis(1,3-benzodioxole-5-yl)tetrahydro-1H,3H-furo3,4-cfuran|1H,4-cfuran, tetrahydro-1,4-bis3,4-(methylenedioxy)phenyl-, (+)-|1H,3H-Furo(3,4-c)furan, tetrahydro-1,4-bis(3,4-(methylenedioxy)phenyl)-, (+)-|1H,4-cfuran, tetrahydro-1,4-bis3,4-(methylenedioxy)phenyl-, (1S,3aR,4S,6aR)-|1, 5,5'-(tetrahydro-1H,3H-furo3,4-cfuran-1,4-diyl)bis-, 1S-(1.alpha.,3a.alpha.,4.alpha.,6a.alpha.)-|1,3-Benzodioxole, 5,5'-(tetrahydro-1H,3H-furo(3,4-c)furan-1,4-diyl)bis-, (1S-(1.alpha.,3a.alpha.,4.alpha.,6a.alpha.))-|1,3-Benzodioxole,5,5'-(tetrahydro-1H,3H-furo3,4-cfuran-1,4-diyl)bis-, (1S,3aR,4S,6aR)-|5-(6-(2H-benzo3,4-d1,3-dioxolen-5-yl)(6S,1R,2R,5R)-3,7-dioxabicyclo3.3.0oc t-2-yl)-2H-benzod1,3-dioxolene|5-6-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro3,4-cfuran-3-yl-1,3-benzodioxole| |
| Physalin D |
natural product |
Physalis angulata |
Org=Plasmodium berghei | Plasmodium falciparum |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|ileocecal colorectal adenocarcinoma |Melanoma|Murine Melanoma|Soft Tissue Sarcoma|Mouse sarcoma|Org=Plasmodium berghei | Plasmodium falciparum |
3D viewer |
Pubchem |
|
44575286 |
No Cas |
CC12CC3C4(C56C1C(=O)C(O5)(C7CC(C8(CC=CC(=O)C8(C7CCC6(C(=O)O4)O)C)O)O)OCC2C(=O)O3)C |
DUGJJSWZRHBJJK-IGRMCQLTSA-N |
544.19000 |
C28H32O11 |
-2.0009 |
11 |
3 |
165.89 |
6.0 |
39 |
8 |
Antimycobacterial physalins from Physalis angulata L. (Solanaceae).|Physalins from Witheringia solanacea as modulators of the NF-kappaB cascade.|Plasma pharmacokinetics and tissue distribution study of physalin D in rats by ultra-pressure liquid chromatography with tandem mass spectrometry. |
|
| Eupafolin |
natural product |
Tithonia diversifolia|Aemisia princeps|Ocotea heterochroma|Persicaria hydropiper|Leucaena leucocephala|Monodora grandiflora|Artemisia vestita|Cortinarius infractus|Bauhinia splendens|Cribrochalina dura|Omphalotus nidiformis|Catunaregam tomentosa|Trichoderma roseum|Eupatorium cuneifolium|Tetrapanax papyrifer|Hypericum hirsutum|Fischerella muscicola|Uncaria sessilifructus|Episcia cupreata|Lippia nodiflora|Bhesa nitidissima|Panax ginseng|Laurencia thyrsifera|Pyrus pyrifolia|Saussureae involucratae herba|Ptelea viscosa|Millettia ovalifolia|Muraltia heisteria|Inulae herba|Oroxyli semen|Eupatorium subhastatum|Rhodopirellula baltica|Polygonatum prattii|Artemisia capillaris|Eupatorium perfoliatum|Zanthoxylum myriacanthum|Knautia silvatica|Eupatorium lindleyanum|Cis punctifer|Puccinia coronata|Coprinopsis atramentaria|Inula britannica|Senecio microglossus|Leptogorgia gilchristi|Erythroxylum microphyllum|Peperomia villipetiola|Inula japonica|Artemisia kurramensis|Phyla nodiflora|Aglaia grandis|Chrysanthemum sinense|Ranzania japonica|Lantana fucata|Pouteria sapota|Rhabdonia verticillata|Santalum album|Bystropogon mollis|Gaylussacia frondosa|Eupatorium glaucescens|Rothmannia wittii|Lissoclinum fragile|Calycanthus floridus|Nepeta hindostana|Climacostomum virens|Aloe nobilis|Werneria stuebelii|Herba lagotidis|Penicillium javanicum|Vernonia lanuginosa|Hunteria zeylanica|Rosmarinus officinalis|Barleria acanthoides|Teclea boiviniana|Asphodelus tenuifolius|Riccia fluitans|Liriodendron tulipifera|Salvia plebeia|Mulguraea tridens|Cordia elaeagnoides|Hexalobus crispiflorus|Selaginella apoda|Thalictrum omeiense|Phyllanthus discoides|Penicillium lapidosum|Anaphalis araneosa|Tripterygium doianum|Chondrococcus hornemanni|Engleromyces goetzei|Satureja odora|Micromeria japonica|Styrax benzoin|Tsuga heterophylla|Pseudognaphalium affine|Marrubium globosum|Siphonoglossa mexicana|Othonna sedifolia|Jasonia candicans|Gibberella lateritium|Mikania congesta|Torreya fargesii var. yunnanensis|Alstonia pneumatophora|Actinoplanes awajinensis|Flindersia dissosperma|Vernonia pachyclada|Podocarpus mannii|Usnea aciculifera|Chaenomeles cathayensis|Colletotrichum gloeosporioides|Pterocarpus officinalis|Impatiens edgeworthii|Isodon leucophyllus|Mangifera gabonensis|Crepis pygmaea|Enicostema littorale|Adenia globosa|Gentiana thunbergii|Bombyx mori|Tolypothrix tenuis|Siphocampylus foliosus|Dacryodes normandii|Euodia lunu-ankenda|Phaenocoma prolifera |
Path=CASP3 pathway|CASP4 pathway|CASP7 pathway|CASP8 pathway|CASP9 pathway|CYCS pathway|Lysine-specific demethylase 4D-like - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | Dual specificity tyrosine-phosphorylation-regulated kinase 1A - Rattus norvegicus | ATPase family AAA domain-containing protein 5 - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | M1-family aminopeptidase - Plasmodium falciparum 3D7 | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Flap endonuclease 1 - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | 78 kDa glucose-regulated protein - Homo sapiens | FAD-linked sulfhydryl oxidase ALR - Homo sapiens | NADPH oxidase 1 - Rattus norvegicus | Beta-glucocerebrosidase - Homo sapiens | Caspase-6 - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Lysine-specific demethylase 4A - Homo sapiens | DNA polymerase eta - Homo sapiens | DNA dC->dU-editing enzyme APOBEC-3G - Homo sapiens | Zinc finger protein mex-5 - Caenorhabditis elegans | Human immunodeficiency virus type 1 integrase - Human immunodeficiency virus 1 | Thioredoxin glutathione reductase - Schistosoma mansoni | Cell division protein kinase 5 - Rattus norvegicus | Bloom syndrome protein - Homo sapiens | Salivary alpha-amylase - Homo sapiens | Xanthine dehydrogenase - Bos taurus | DNA polymerase kappa - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Niemann-Pick C1 protein - Homo sapiens | DNA polymerase iota - Homo sapiens | Cytoplasmic zinc-finger protein - Caenorhabditis elegans |Org= Human immunodeficiency virus 1 | Plasmodium falciparum | Hepatitis C virus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Cervical Cancer|Cervical Adenocarcinoma|Org=Human immunodeficiency virus 1 | Plasmodium falciparum | Hepatitis C virus |
3D viewer |
Pubchem |
|
5317284 |
520-11-6 |
COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C=C3)O)O)O |
FHHSEFRSDKWJKJ-UHFFFAOYSA-N |
316.06000 |
C16H12O7 |
-2.3966 |
1 |
4 |
116.45 |
7.0 |
23 |
3 |
Three-dimensional quantitative structure-activity relationship (QSAR) of HIV integrase inhibitors: a comparative molecular field analysis (CoMFA) study.|Application of the electrotopological state index to QSAR analysis of flavone derivatives as HIV-1 integrase inhibitors.|Effects of natural flavones and flavonols on the kinase activity of Cdk5.|Microsphere-based protease assays and screening application for lethal factor and factor Xa.|Flavonoids for controlling starch digestion: structural requirements for inhibiting human alpha-amylase.|High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
6-Methoxyluteolin|520-11-6|Nepetin|EUPAFOLIN|2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4H-chromen-4-one|Eurafolin|UNII-I3O7LF3GED|I3O7LF3GED|CHEMBL172350|NSC122416|4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-|2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one|SMR000440634|Pedaltin|NSC 122416|AC1NSVCV|MLS000728561|MLS000877025|SCHEMBL828390|MEGxp0_000458|ACon1_000516|BDBM23412|cid_5317284|DTXSID10199959|FHHSEFRSDKWJKJ-UHFFFAOYSA-N|MolPort-000-774-377|REGID_for_CID_5317284|HMS2218H11|ZINC5998557|7300AB|LMPK12111230|AKOS016009654|MCULE-7564407072|VA10871|NCGC00163594-01|NCGC00163594-02|NCGC00169005-01|AJ-55455|AK111278|Flavone,4',5,7-tetrahydroxy-6-methoxy-|ST081374|6-methoxy 5,7,3',4'-tetrahydroxyflavone|AX8109560|4CH-024481|FT-0632276|ST24039237|Flavone, 3',4',5,7-tetrahydroxy-6-methoxy-|A828884|C-19474|SR-01000777526|SR-01000777526-3|BRD-K05728858-001-01-7|Flavone, 3',4',5,7-tetrahydroxy-6-methoxy- (8CI)|2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-chromen-4-one|4H-1-Benzopyran-4-one,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-|2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-1-benzopyran-4-one|2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4H-chromen-4-one #|2-3,4-bis(oxidanyl)phenyl-6-methoxy-5,7-bis(oxidanyl)chromen-4-one|4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy- (9CI)| |
| Glycitein |
natural product |
Pueraria thunbergiana|Lycii fructus|Puerariae flos|Glycine max|Pueraria montana var. lobata|Astragalus wiedemannianus|Dalbergia frutescens|aged korean fermented soybean paste|Homo sapiens|Amorphinopsis foetida|Delphinium barbeyi|Fomes fastuosus|Bertya dimerostigma|Asterias rathbuni|Pueraria montana var. thomsonii|Sojae semen praeparatum|Codonopsis radix |
Xanthine dehydrogenase - Homo sapiens | Tyrosinase - Mus musculus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia |
3D viewer |
Pubchem |
|
5317750 |
40957-83-3 |
COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)O |
DXYUAIFZCFRPTH-UHFFFAOYSA-N |
284.07000 |
C16H12O5 |
-1.6391 |
1 |
2 |
75.99 |
5.0 |
21 |
3 |
Genistein, daidzein and glycitein inhibit growth and DNA synthesis of aortic smooth muscle cells from stroke-prone spontaneously hypertensive rats.|Suppression effect of soy isoflavones on nitric oxide production in RAW 264.7 macrophages.|Glycitein effect on suppressing the proliferation and stimulating the differentiation of osteoblastic MC3T3-E1 cells.|Optimization of a yeast estrogen screen and its applicability to study the release of estrogenic isoflavones from a soygerm powder.|Effects of naturally occurring isoflavones on prostaglandin E2 production.|The effects of soy protein containing phytoestrogens on menopausal symptoms in postmenopausal women. |
Glycitein|40957-83-3|7,4'-Dihydroxy-6-methoxyisoflavone|Glycetein|4',7-Dihydroxy-6-methoxyisoflavone|UNII-92M5F28TVF|4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-|7-Hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one|92M5F28TVF|CHEMBL513024|CHEBI:34778|DXYUAIFZCFRPTH-UHFFFAOYSA-N|4,7-Dihydroxy-6-methoxyisoflavone|Q-100465|7-hydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one|7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one|AC1NSVZR|SCHEMBL19720|BIDD:ER0470|Glycitein, analytical standard|Glycitein, >=97% (HPLC)|CTK8E8802|DTXSID40193960|MolPort-003-889-283|ZX-AFC000384|BCP13270|HY-N0016|ZINC5999205|AC-998|BDBM50241530|LMPK12050104|MFCD00016679|SBB065744|AKOS015892762|API0002851|KS-00000I04|AK198738|AN-15361|BC215511|CC-29016|AB0073031|LS-185206|FT-0630616|N1785|ST50331727|C14536|957G833|A825364|C-17888|I04-0095|3-(4-hydroxyphenyl)-6-methoxy-7-oxidanyl-chromen-4-one|4-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-chromen-7-one|7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-chromen-4-one|7-hydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4H-one|UNII-71B37NR06D component DXYUAIFZCFRPTH-UHFFFAOYSA-N|4 inverted exclamation marka,7-Dihydroxy-6-methoxyisoflavone|7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-1-benzopyran-4-one|Glycitein, United States Pharmacopeia (USP) Reference Standard|4H-1-Benzopyran-4-one,7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-| |
| Deoxypicropodophyllin |
natural product |
Hernandia nymphaeifolia|Hernandia peltata|Pulsatilla koreana|Dysosma versipellis|Timonius kaniensis|Laurencia elata|Pyrocystis lunula|Leptospermum scoparium|Magnolia acuminata|Matteuccia struthiopteris|Parmelia conspersa|Platycladi cacumen|Cortinarius basirubescens|Crotalaria lechnaultii|Copaifera paupera|Citrus tankan|Artemisia schmidtiana|Helipterum strictum|Machaerium mucronulatum|Anacystis cyanea|Arcangelisia gusanlung|Juniperus thurifera|Ochtodes crockeri|Amycolatopsis lurida|Cleidion brevipetiolatum|Babylonia japonica|Millettia racemosa|Allium ursinum|Chamaemelum scariosum|Aglaia meridionalis|Polyporus sulphureus|Brickellia pendula|Ficus maxima|Chaetomium retardatum|Hyptis verticillata|Entandrophragma cylindricum|Cladosporium herbarum|Hippocratea indica|Simmondsia chinensis|Callyspongia truncata|Ophioglossum vulgatum|Dunaliella acidophila|Lathyrus macrorrhizus|Talaromyces wortmanni|Tanacetum santolina|Tabebuia rosea|Escallonia philippiana|Ammi majus|Gleichenia glauca|Lentinellus omphalodes|Hesperocyparis nevadensis|Senecio erraticus|Cladonia pseudodidyma|Coleus carnosus|Plumbago europaea|Lactobacillus acidophilus |
Org=Artemia | Human herpesvirus 1 | Neisseria gonorrhoeae |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Melanoma|malignant melanoma|Murine Melanoma|Non-small Cell Lung Cancer|large cell carcinoma|Lewis Lung carcinoma |Lung Epithelial Carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Org=Artemia | Human herpesvirus 1 | Neisseria gonorrhoeae |
3D viewer |
Pubchem |
|
11711021 |
No Cas |
COC1=CC(=CC(=C1OC)OC)C2C3C(CC4=CC5=C(C=C24)OCO5)COC3=O |
ZGLXUQQMLLIKAN-CJMONDIMSA-N |
398.14000 |
C22H22O7 |
-0.6687 |
2 |
0 |
72.45 |
7.0 |
29 |
5 |
Deoxypodophyllotoxin; the cytotoxic and antiangiogenic component from Pulsatilla koreana.|Deoxypodophyllotoxin, a naturally occurring lignan, inhibits the passive cutaneous anaphylaxis reaction.|The naturally occurring flavolignan, deoxypodophyllotoxin, inhibits lipopolysaccharide-induced iNOS expression through the NF-kappaB activation in RAW264.7 macrophage cells.|Deoxypodophyllotoxin, flavolignan, from Anthriscus sylvestris Hoffm. inhibits migration and MMP-9 via MAPK pathways in TNF-alpha-induced HASMC.|Deoxypodophyllotoxin exerts both anti-angiogenic and vascular disrupting effects.|Biological evaluation and molecular modelling study of podophyllotoxin derivatives as potent inhibitors of tubulin polymerization. |
|
| Penduletin |
natural product |
Dracocephalum kotschyi|Vitex trifolia|Cystoclonium purpureum|Nectandra rubra|Espeletia moritziana|Achillea tuzsonii|Fritillaria ussuriensis|Fagraea fragrans|Uvaria cherrevensis|Varthemia iphionoides|Delphinium brownii|Chrysomela tremula|Nuxia oppositifolia|Millettia zechiana|Callicarpa pilosissima|Trichoderma vinosum|Colliguaja salicifolia|Spheciospongia vagabunda|Zaluzianskya capensis|Eucalyptus cordata|Vernonia leopoldi|Jasonia montana|Acer triflorum|Mundulea striata|Lycopodium contiguum|Pseudomonas viridiflava|Glycyrrhiza echinata|Iboza riparia|Dalea purpurea|Isodon coetsa|Drimia sanguinea|Asplenium septentrionale|Robinsonia gracilis|Kielmeyera albopunctata|Panda oleosa|Viticis fructus|Artemisia apiacea|Artemisia annua|Chrysanthemum indicum|Podophyllum peltatum|Senecio kaempferi|Linum album|Rathayibacter rathayi|Bipolaris sorokiniana|Polygala arillata|Dovyalis abyssinica|Prunus cerasoides|Ustilago sphaerogena|Phyllanthus virgatus|Brachylaena ramiflora|Nephelium mutabile |
Aldose reductase - Homo sapiens | ATP-binding cassette sub-family G member 2 - Homo sapiens | P-glycoprotein 1 - Homo sapiens |Org= Poliovirus | Human rhinovirus sp. | Mycobacterium tuberculosis | Trypanosoma cruzi |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Soft Tissue Sarcoma|Mouse sarcoma|Org=Poliovirus | Human rhinovirus sp. | Mycobacterium tuberculosis | Trypanosoma cruzi |
3D viewer |
Pubchem |
|
5320462 |
569-80-2 |
COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O)OC |
YSXFFLGRZJWNFM-UHFFFAOYSA-N |
344.09000 |
C18H16O7 |
-1.9197 |
2 |
2 |
94.45 |
9.0 |
25 |
3 |
Trypanocidal flavonoids from Trixis vauthieri.|Flavonoids from Vitex trifolia L. inhibit cell cycle progression at G2/M phase and induce apoptosis in mammalian cancer cells.|Antineoplastic agents 540. The Indian Gynandropsis gynandra (Capparidaceae).|Flavonoids from Artemisia copa with anti-inflammatory activity.|Antioxidant and alpha-amylase inhibitory compounds from aerial parts of Varthemia iphionoides Boiss.|Flavonoids inhibit angiogenic cytokine production by human glioma cells. |
Penduletin|569-80-2|5,4'-Dihydroxy-3,6,7-trimethoxyflavone|CHEMBL165509|5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-chromen-4-one|AC1NSZHZ|SCHEMBL2217068|CTK1H1732|DTXSID00205437|MolPort-035-705-982|YSXFFLGRZJWNFM-UHFFFAOYSA-N|BDBM50338973|LMPK12112874|ZINC14644952|5-Hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-4H-1-benzopyran-4-one|AKOS032948446|3,6,7-TRIMETHYL-6-HYDROXYKAEMPFEROL|5,4''-dihydroxy-3,6,7-trimethoxyflavanone|W1676|5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one|5-Hydroxy-2-(4-hydroxy-phenyl)-3,6,7-trimethoxy-chromen-4-one|4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-|5-Hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-4H-chromen-4-one #|2-(4-Hydroxyphenyl)-3,6,7-trimethoxy-5-hydroxy-4H-1-benzopyran-4-one (penduletin)| |
| Schizandrin |
natural product |
Schisandra chinensis|Schisandra fructus|Lagerstroemia indica|Schisandra sphenanthera|Schisandra rubriflora|Croton megistocarpus|Kadsura angustifolia|schisandra sphenathera|Trigonella foenum-graecum|Schisandra neglecta|Cacospongia scalaris|Baphicacanthus cusia|Persea kusanoi|Senecio isatideus|Geranium sibiricum |
Path=CCNA1 pathway|CCNB1 pathway|CCND1 pathway|CDK4 pathway|CDKN1A pathway|CDKN1B pathway|Gen=Others|Multidrug resistance-associated protein 1 - Homo sapiens | Nonstructural protein 1 - Influenza A virus |Org= Artemia salina | Human immunodeficiency virus 1 | Plasmodium falciparum |
Dis=Breast Cancer|Ductal Adenocarcinoma|Breast Carcinoma|Central Nervous System Cancers|Glioma|Cervical Cancer|Cervical Carcinoma Papilloma |Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|epidermoid carcinoma of the nasopharynx|Hepatobiliary Cancer|Hepatocellular Carcinoma|Neuroendocrine Tumors|Pheochromocytoma|Gen=Others |
3D viewer |
Pubchem |
|
3001664 |
7432-28-2 |
CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)OC)OC)OC)OC)OC)OC |
YEFOAORQXAOVJQ-RZFZLAGVSA-N |
432.21000 |
C24H32O7 |
0.1593 |
1 |
1 |
75.61 |
15.0 |
31 |
3 |
Bioactivity of neolignans from fructus Schizandrae.|[Effects of schizandrol A on monoamine neurotransmitters in the central nervous system].|Rapid microbore liquid chromatographic analysis of biphenyldimethyl dicarboxylate in human plasma with on-line column switching.|[Phytotherapeutic aspects of diseases of the circulatory system. 8. Chinese magnolia (Schisandra chinensis (Turcz.) Baill.): production of the drugs and their evaluation, therapeutic and dietary preparations].|Total synthesis of (+)-isoschizandrin utilizing a samarium(II) iodide-promoted 8-endo ketyl-olefin cyclization.|Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
Schisandrin|Schizandrin|7432-28-2|Schisandrol A|UNII-G01BQC0879|G01BQC0879|Schisandrine|hexamethoxy(dimethyl)?ol|Wuweizins|Omija|Magnolia Vine|Wu-wei-zi|Gomisins (Japanese)|Wuweizins (Chinese)|Schisandrins (Russian)|AC1MHDW9|Schisandra chinensis fruit|MLS000728484|SCHEMBL568558|CHEMBL253688|Schizandrin, >=98% (HPLC)|MolPort-006-668-564|HMS2227F11|Dibenzo(a,c)cycloocten-6-ol, 5,6,7,8-tetrahydro-1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-, stereoisomer|Dibenzo(a,c)cycloocten-6-ol, 5,6,7,8-tetrahydro-6,7-dimethyl-1,2 3,10,11,12-hexamethoxy-, stereoisomer|HY-N0691|ZINC3799118|AKOS032962032|CS-3663|MCULE-4940005426|NCGC00247516-01|BC216314|SMR000445691|NCGC00247516-02!|W-3004|Schizandrin, EuropePharmacopoeia (EP) Reference Standard|Schisandrin, United States Pharmacopeia (USP) Reference Standard|Dibenzoa,ccycloocten-6-ol, 5,6,7,8-tetrahydro-1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-, (6S,7S)-| |
| Indole-3-Carbinol |
natural product |
Brassica spp|Leptosphaeria maculans|Haliclona oculata |
Path=BCL2 pathway|BCL2A1 pathway|BIRC2 pathway|BIRC3 pathway|BIRC5 pathway|CCND1 pathway|CFLAR pathway|MMP9 pathway|NFKB1 pathway|NFKBIA pathway|PTGS2 pathway|TRAF1 pathway|XIAP pathway|CDC25A pathway|CDK4 pathway|CDK6 pathway|CDKN1A pathway|ESR1 pathway|GATA3 pathway|RB1 pathway|N/A|CXCR4 pathway|CDKN1B pathway|AHR pathway|IFNGR1 pathway|CDK2 pathway|STAT1 pathway|BAX pathway|CCND2 pathway|JUND pathway|RELA pathway|CASP3 pathway|CASP8 pathway|CASP9 pathway|PARP1 pathway|BAK1 pathway|PSA pathway|AR pathway|BAD pathway|BCL2L1 pathway|EGFR pathway|AKT1 pathway|PI3CA parhway|CDKN2A pathway|TP53 pathway|Gen=NF-?B|Acetylcholinesterase - Electrophorus electricus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Androgen Receptor - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 - Homo sapiens | Anthrax lethal factor - Bacillus anthracis | Geminin - Homo sapiens | Aryl sulfotransferase - Rattus norvegicus | Heat shock protein beta-1 - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | Nuclear factor NF-kappa-B p105 subunit - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | Interleukin-8 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Cholinesterase - Equus caballus | Nuclear receptor ROR-gamma - Homo sapiens |Org= Plasmodium falciparum | Leptosphaeria maculans |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Head and Neck Cancers|Oral Squamous Cell Carcinoma|Multiple Myeloma|Multiple Myeloma |Non-Hodgkin's Lymphomas|Adult T-cell leukemia/lymphoma|Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=NF-?B |
3D viewer |
Pubchem |
|
3712 |
INDOLE-3-METHANOL |
C1=CC=C2C(=C1)C(=CN2)CO |
IVYPNXXAYMYVSP-UHFFFAOYSA-N |
147.07000 |
C9H9NO |
-0.8691 |
2 |
2 |
36.02 |
2.0 |
11 |
2 |
Genotoxicities of nitropyrenes and their modulation by apigenin, tannic acid, ellagic acid and indole-3-carbinol in the Salmonella and CHO systems.|Photoaffinity labelling of steroid-hormone-binding glutathione S-transferases with [3H]methyltrienolone. Inhibition of steroid-binding activity by the anticarcinogen indole-3-carbinol.|Effects of indole-3-carbinol on biotransformation enzymes in the rat: in vivo changes in liver and small intestinal mucosa in comparison with primary hepatocyte cultures.|Induction of cytochrome P-450IA1, IA2, IIB1, IIB2 and IIE1 by broccoli in rat liver and colon.|Dietary and pharmacological control of estradiol metabolism in humans.|Quantitative inter-relationships between aflatoxin B1 carcinogen dose, indole-3-carbinol anti-carcinogen dose, target organ DNA adduction and final tumor response. |
Indole-3-carbinol|700-06-1|3-Indolemethanol|INDOLE-3-METHANOL|(1H-Indol-3-yl)methanol|1H-indol-3-ylmethanol|1H-Indole-3-methanol|3-Hydroxymethylindole|3-Indolylcarbinol|Indinol|3-(Hydroxymethyl)indole|3-Indole methanol|Indole 3 carbinol|(1H-Indol-3-yl)-methanol|CCRIS 3261|UNII-C11E72455F|EINECS 211-836-2|1H-Indol-3-Yl-Methanol|I3C|C9H9NO|NSC 525801|BRN 0121323|AI3-60090|CHEBI:24814|IVYPNXXAYMYVSP-UHFFFAOYSA-N|Prevention 4 (indole-3-carbinol)|MFCD00005632|C11E72455F|NCGC00090701-06|indol-3-ylmethan-1-ol|I0496|Indole-3-carbinol, 97%|SMR000385784|I3C cpd|3-Indolecarbinol|3-Indolylmethanol|indole-3-carbinole|Indole-3-carbinol;3-Indole methanol|zlchem 356|3-Hydroxymethylindoll|PubChem7265|AC1L1GJH|Spectrum2_001710|Spectrum3_001973|ACMC-209oc7|AC1Q7C3V|DSSTox_CID_11458|DSSTox_RID_78876|DSSTox_GSID_31458|BSPBio_003573|MLS001333161|MLS001333162|SCHEMBL195520|SPECTRUM1505320|SPBio_001700|CHEMBL155625|1H-Indole-3-methanol (9CI)|DTXSID7031458|CTK5D1676|GTPL10047|KBio3_002949|ZLC0198|MolPort-000-139-921|HMS1789O22|HMS2235E10|HMS3369B02|HMS3651I18|ZINC158743|ACN-S002804|ACT03591|BCP00087|HY-N0170|INDOLE-3-CARBINOL (I3C)|KS-000008ZG|Tox21_400055|9344AF|AM1155|ANW-35813|CCG-38786|HSCI1_000097|IN1455|NSC525801|s2313|SBB004095|AKOS001075120|AC-7583|AN-8864|CS-7780|DB12881|GS-0916|LS-2173|LS20980|MCULE-6344603304|NSC-525801|RP01522|RTC-020178|SB14958|SDCCGMLS-0065970.P001|SDCCGMLS-0065970.P002|VI30396|Indole-3-methanol (Indole-3-carbinol)|SMP2_000172|TRA-0190502|NCGC00090701-01|NCGC00090701-02|NCGC00090701-03|NCGC00090701-04|NCGC00090701-05|NCGC00090701-07|AJ-15333|BC226969|BR-53373|CAS-700-06-1|CJ-01822|SC-06380|SY015976|ZB007051|AB0008317|AB1009801|ST2402099|TL8004925|4CH-018038|A9256|FT-0615875|ST50308202|SW219849-1|00I061|I-2100|M-3233|MFCD00005632 (95+%)|A836732|SR-01000838318|I10-0077|SR-01000838318-3|BRD-K01815685-001-02-3|BRD-K01815685-001-07-2|Z85923165| |
| (4As,6As,6Br,10S,12Ar)-10-Hydroxy-2,2,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid |
natural product |
Plantago major|Viburnum awabuki|Prunus dulcis|Olea europaea|Pygeum africanum|Achyranthes bidentata|Achyranthes fauriei|Achyranthes japonica|Swertia leducii |
Path=AR pathway|Beta-lactamase AmpC - Escherichia coli K-12 | Streptokinase A - Streptococcus pyogenes serotype M1 | Rap guanine nucleotide exchange factor 4 - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | DNA polymerase beta - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus |Org= Plasmodium falciparum | Streptococcus | Streptococcus sp. 'group A' |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|Gen=Microbiology |
3D viewer |
Pubchem |
|
3010929 |
No Cas |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C |
MIJYXULNPSFWEK-FQRDBSNUSA-N |
456.36000 |
C30H48O3 |
2.1298 |
3 |
2 |
57.53 |
10.0 |
33 |
5 |
Microsphere-based protease assays and screening application for lethal factor and factor Xa.|High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.|Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.|Development of oleanane-type triterpenes as a new class of HCV entry inhibitors. |
oleanoic acid|(4aS,6aS,6bR,10S,12aR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid|SR-01000721517|(3.beta.)-3-Hydroxyolean-12-en-28-oic acid|AC1MHT4T|MLS000574839|CHEMBL365375|MEGxp0_000902|SCHEMBL12313106|ACon1_000081|MIJYXULNPSFWEK-FQRDBSNUSA-N|MolPort-001-741-050|HMS2203E04|AKOS016355979|NCGC00168812-01|NCGC00168812-02|SMR000156251|O0317|SR-01000721517-3|SR-01000721517-4|Olean-12-en-28-oic acid, 3-hydroxy-, (3b,5x,9x,18x)-|(4aS,6aS,6bR,10S,12aR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid|NCGC00168812-02_C30H48O3_Olean-12-en-28-oic acid, 3-hydroxy-, (3beta,5xi,9xi,18xi)-| |
| Salmahyrtisol B |
natural product |
Hyrtios erecta |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
15538071 |
No Cas |
CC1(CCCC2(C1CCC3(C2CC(C4(C3CC(=O)C5=COC=C54)C)O)C)C)C |
OBGAYCPJDDFTFT-JAVRITLLSA-N |
384.27000 |
C25H36O3 |
0.8547 |
2 |
1 |
50.44 |
6.0 |
28 |
5 |
|
|
| Callyspongenol C |
natural product |
Callyspongia spp |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Cervical Cancer|Cervical Adenocarcinoma |
3D viewer |
Pubchem |
|
10063645 |
No Cas |
C#CC=CCCCCC=CC#CC#CCCCC=CC#CCO |
XCLAUSBLXUZFRL-FNASMSCBSA-N |
304.18000 |
C22H24O |
3.456 |
1 |
1 |
20.23 |
9.0 |
23 |
0 |
|
|
| Isodeoxypodophyllotoxin |
natural product |
Hernandia nymphaeifolia|Hernandia peltata|Pulsatilla koreana|Dysosma versipellis|Hyptis verticillata |
Org=Artemia |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Melanoma|malignant melanoma|Murine Melanoma|Non-small Cell Lung Cancer|large cell carcinoma|Lewis Lung carcinoma |Lung Epithelial Carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Org=Artemia |
3D viewer |
Pubchem |
|
332809 |
17187-81-4 |
COC1=CC(=CC(=C1OC)OC)C2C3C(CC4=CC5=C(C=C24)OCO5)COC3=O |
ZGLXUQQMLLIKAN-SMHULIPUSA-N |
398.14000 |
C22H22O7 |
-0.6687 |
2 |
0 |
72.45 |
7.0 |
29 |
5 |
Deoxypodophyllotoxin; the cytotoxic and antiangiogenic component from Pulsatilla koreana.|Deoxypodophyllotoxin, a naturally occurring lignan, inhibits the passive cutaneous anaphylaxis reaction.|The naturally occurring flavolignan, deoxypodophyllotoxin, inhibits lipopolysaccharide-induced iNOS expression through the NF-kappaB activation in RAW264.7 macrophage cells.|Deoxypodophyllotoxin, flavolignan, from Anthriscus sylvestris Hoffm. inhibits migration and MMP-9 via MAPK pathways in TNF-alpha-induced HASMC.|Deoxypodophyllotoxin exerts both anti-angiogenic and vascular disrupting effects.|Biological evaluation and molecular modelling study of podophyllotoxin derivatives as potent inhibitors of tubulin polymerization. |
Isodeoxypodophyllotoxin|17187-81-4|AC1L7BX3|CHEMBL476679|DTXSID30318504|ZINC5665654|PODOPHYLLOTOXIN, DEOXY ISOMER|CCG-35645|NSC332045|NSC-332045|(5R,5aS,8aS)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-2benzofuro5,6-f1,3benzodioxol-6-one|1beta-(3,4,5-Trimethoxyphenyl)-6,7-(methylenedioxy)-3beta-(hydroxymethyl)tetralin-2alpha-carboxylic acid gamma-lactone| |
| Excisanin I |
natural product |
Rabdosia excisa |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
10360537 |
No Cas |
CC1(CCCC2(C1CC(C34C2CC(C(C3O)C(=C)C4=O)O)O)CO)C |
CCHGBDLHPVHECV-MUOUXMPNSA-N |
350.21000 |
C20H30O5 |
-1.778 |
5 |
4 |
97.99 |
7.0 |
25 |
4 |
|
|
| 3,4,5-Trihydroxy-Benzoic Acid (2R,3S)-5,7-Dihydroxy-2-(3,4,5-Trihydroxy-Phenyl)-Chroman-3-Yl Ester |
natural product |
Diospyros kaki|Myrica rubra|Camellia sinensis|Prunus persica|Punica granatum|green tea|Areca catechu|Ampelopsis japonica|Ilicis cornutae folium immayuri|Senegalia catechu|Hamamelis virginiana|Morus alba|Paeonia lactiflora|Solanum nigrum |
Path=ODC1 pathway|ABCG2 pathway|BCL2 pathway|BAX pathway|CASP3 pathway|PARP1 pathway|AR pathway|PSA pathway|N/A|CDK4 pathway|PCNA pathway|Gen=DNA Methyltransferase,HER2,Telomerase,EGFR,Fatty Acid Synthase|15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Arachidonate 15-lipoxygenase - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Histone acetyltransferase GCN5 - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Vitamin D receptor - Homo sapiens | DNA polymerase kappa - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | HERG - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Galactokinase - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis|Beta-secretase 1 - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Basophilic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|Uterine Neoplasms|leiomyoma|Gen=DNA Damage |
3D viewer |
Pubchem |
4E1A 4KQR 4KQK 4KQO |
5276890 |
5127-64-0 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
WMBWREPUVVBILR-GHTZIAJQSA-N |
458.08000 |
C22H18O11 |
-3.966 |
2 |
8 |
197.37 |
12.0 |
33 |
4 |
Prolyl endopeptidase inhibitors from green tea.|Protective activity of green tea against free radical- and glucose-mediated protein damage.|Study of non-covalent complexation between catechin derivatives and peptides by electrospray ionization mass spectrometry.|Neutrophil restraint by green tea: inhibition of inflammation, associated angiogenesis, and pulmonary fibrosis.|Tea catechin synergies in inhibition of cancer cell proliferation and of a cancer specific cell surface oxidase (ECTO-NOX).|Inhibitory effect of green tea polyphenols on membrane-type 1 matrix metalloproteinase, MT1-MMP. |
Gallocatechin gallate|Gallocatechin 3-O-gallate|5127-64-0|UNII-0C056HB16M|GALLOCATECHIN 3-GALLATE|CHEMBL126079|0C056HB16M|Benzoic acid, 3,4,5-trihydroxy-, (2R,3S)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester|(+)-Gallocatechin gallate|(+)-Gallocatechol gallate|(+)-Gallocatechin-3-o-gallate|Gallic acid, ester with gallocatechol|3-Galloylgallocatechin|AC1NQPLK|(+)-Gallocatechin 3-O-gallate|SCHEMBL10198783|MolPort-042-675-352|GCG|ZINC3870414|BDBM50135168|LMPK12020120|AKOS026670211|Benzoic acid, 3,4,5-trihydroxy-, 3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester, (2R-trans)-|(2R,3S)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl 3,4,5-trihydroxybenzoate|(2R,3S)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate|3,4,5-Trihydroxy-benzoic acid (2R,3S)-5,7-dihydroxy-2-(3,4,5-trihydroxy-phenyl)-chroman-3-yl ester| |
| L-Sulforaphane |
natural product |
Brassica oleracea|Brassica spp|Raphanus sativus |
Path=BCL2 pathway|BAX pathway|TP53 pathway|AHR pathway|PTGS2 pathway|none|MMP9 pathway|CASP3 pathway|CASP9 pathway|PARP1 pathway|VIM pathway|CDKN1A pathway|KLF4 pathway|NAD(P)H dehydrogenase [quinone] 1 - Mus musculus | Quinone oxidoreductase - Mus musculus |Org= Trypanosoma cruzi |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Brain Tumor|Medulloblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Fibrosarcoma|Gastrointestinal Cancer|Gastric carcinoma|Melanoma|Murine Melanoma|Org=Trypanosoma cruzi |
3D viewer |
Pubchem |
|
10419733 |
4-isothiocyanatobutyl methyl (S)-sulfoxide |
CS(=O)CCCCN=C=S |
SUVMJBTUFCVSAD-JTQLQIEISA-N |
177.03000 |
C6H11NOS2 |
-0.9316 |
2 |
0 |
80.73 |
6.0 |
10 |
0 |
Design, synthesis, and biological evaluation of aryloxyethyl thiocyanate derivatives against Trypanosoma cruzi.|Keap calm, and carry on covalently. |
(S)-sulforaphane|155320-20-0|CHEBI:47809|1-isothiocyanato-4-(S)-methylsulfinylbutane|4-isothiocyanatobutyl methyl (S)-sulfoxide|UNII-7J94TPZ10L|L-Sulforaphane|7J94TPZ10L|(+)-Sulforaphane|(-)1-Isothiocyanato-4R-methylsulfinyl)butane|CHEMBL1627201|CTK0E7664|ZINC2557133|ACM155320200|RT-015576|FT-0674749|J-009186|UNII-41684WL1GL component SUVMJBTUFCVSAD-JTQLQIEISA-N| |
| Calycopterin |
natural product |
Dracocephalum kotschyi|Ericameria diffusa|Prunus cerasoides|Eupatorium birmanicum|Halobacterium salinarum|Acacia pycnantha|Canella winterana|Cirsium tanakae|Beta vulgaris|Ocotea bullata|Frankenia pulverulenta|Phyllanthus discoideus|Carlina acaulis|Phorbas amaranthus|Turricula parryi|Ligularia lamarum|Alpinia allughas|Calonectria cylindrospora|Narcissus obesus|Ustilago sphaerogena|Eriostemon thryptomenoides|Thermopsis alpina|Berkheya zeyheri|Drimia sanguinea|Baccharis magellanica|Heliotropium eichwaldii|Flemingia chappar|Diplostephium floribundum|Dalea purpurea|Chrysosplenium echinus|Streptomyces chattanoogensis|Garcinia vieillardii|Sophora exigua|Xanthium pungens|Acer triflorum|Eumorphia sericea|Chaetomium globosum|Rathayibacter rathayi|Salvia digitaloides|Daphne giraldii|Afrocarpus falcatus|Gutierrezia microcephala|Aloe vulgaris|Acronychia vestita|Loranthus europaeus|Chaetomium subaffine|Lippia mexicana|Selenastrum capricornutum|Ocotea pulchella|Crangon vulgaris|Cystoseira jabukae|Caroxylon imbricatum|Uncaria laevigata|Tetradenia barberae|Garcinia pseudoguttifera|Kuehneromyces mutabilis|Trichoderma polysporum|Clausena lansium|Nicotiana debneyi|Trichoderma vinosum|Streptomyces variabilis|Erythraea centaurium|Thalictrum cultratum|Padina vickersiae|Decachaeta thieleana|Beilschmiedia volckii|Zaluzianskya capensis|Acacia baileyana|Agelas nakamurai|Asterogyne martiana|Sporobolus cynosuroides |
Org=Trypanosoma cruzi |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Org=Trypanosoma cruzi |
3D viewer |
Pubchem |
|
10429470 |
481-52-7 |
COC1=C(C2=C(C(=C1OC)OC)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O |
PIUSRRUXGNYCSS-UHFFFAOYSA-N |
374.10000 |
C19H18O8 |
-1.9715 |
2 |
2 |
103.68 |
11.0 |
27 |
3 |
Trypanocidal flavonoids from Trixis vauthieri.|Bioactive constituents from Dracocephalum subcapitatum (O. Kuntze) Lipsky.|Calycopterin, an immunoinhibitory compound from the extract of Dracocephalum kotschyi.|Calycopterin promotes survival and outgrowth of neuron-like PC12 cells by attenuation of oxidative- and ER-stress-induced apoptosis along with inflammatory response.|Involvement of p-CREB and phase II detoxifying enzyme system in neuroprotection mediated by the flavonoid calycopterin isolated from Dracocephalum kotschyi.|Antiangiogenic activity of xanthomicrol and calycopterin, two polymethoxylated hydroxyflavones in both in vitro and ex vivo models. |
Calycopterin|5,4'-Dihydroxy-3,6,7,8-tetramethoxyflavone|UNII-8794DO3YB5|8794DO3YB5|481-52-7|Calcycopterin|Thapsin|CHEMBL512767|SCHEMBL2214965|LMPK12113311|5-hydroxy-2-(4-hydroxyphenyl)-3,6,7,8-tetramethoxy-4H-chromen-4-one|4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-3,6,7,8-tetramethoxy-| |
| 3-(4-Hydroxyphenyl)-6-Methoxy-7-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxychromen-4-One |
natural product |
Pueraria thunbergiana|Glycine max|Semen sojae praeparata|Semen sojae |
Gen=Others|Survival motor neuron protein - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | ATPase family AAA domain-containing protein 5 - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Gen=Others |
3D viewer |
Pubchem |
|
12004532 |
No Cas |
COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O |
OZBAVEKZGSOMOJ-UHFFFAOYSA-N |
446.12000 |
C22H22O10 |
-3.386 |
6 |
5 |
155.14 |
11.0 |
32 |
4 |
Effects of naturally occurring isoflavones on prostaglandin E2 production.|Isoflavone, glyphosate, and aminomethylphosphonic acid levels in seeds of glyphosate-treated, glyphosate-resistant soybean.|Isoflavonoid accumulation in soybean hairy roots upon treatment with Fusarium solani.|Microsphere-based protease assays and screening application for lethal factor and factor Xa.|Equol is more active than soy isoflavone itself to compete for binding to thromboxane A(2) receptor in human platelets.|Effects of probiotic bacteria, isoflavones and simvastatin on lipid profile and atherosclerosis in cholesterol-fed rabbits: a randomized double-blind study. |
SCHEMBL62444|MLS000563447|CHEMBL1574061|HMS2214B19|LMPK12050096|NCGC00247601-01|SMR000232341|A825006|I04-0094|3-(4-hydroxyphenyl)-6-methoxy-7-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyloxy-1-benzopyran-4-one|7-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yloxy-3-(4-hydroxyphenyl)-6-methoxy-chromen-4-one| |
| Communin B |
natural product |
Polytrichum commune|Flavoparmelia euplecta|Croton ruizianus|Anabaena laxa|Adesmia boronioides|Oxytropis muricata|Sidnyum turbinatum |
|
Dis=Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Adult T-cell leukemia/lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
44233685 |
No Cas |
C1C(OC2=C(C1=O)C(=CC(=C2)O)C=CC3=CC=CC=C3)C4=CC=CC=C4 |
ZPNXTAJKEFNJMW-VIOKTNGOSA-N |
342.13000 |
C23H18O3 |
-0.426 |
1 |
1 |
46.53 |
4.0 |
26 |
4 |
|
|
| Ardisianosides A |
natural product |
Ardisia japonica |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
16109779 |
No Cas |
CC1(CCC23COC4(C2C1)CCC5C6(CCC(C(C6CCC5(C4(CC3O)C)C)(C)C)OC7C(C(C(CO7)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)OC1C(C(C(C(O1)CO)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)O)OC1C(C(C(CO1)O)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)C |
YRTDPWGTGFRWCS-NVSDYHLPSA-N |
1532.72000 |
C70H116O36 |
-9.5646 |
36 |
21 |
563.28 |
47.0 |
106 |
13 |
|
|
| (2R,3S,4R,5R)-2-(6-Aminopurin-9-Yl)-5-(Hydroxymethyl)Oxolane-3,4-Diol |
natural product |
Isatis indigotica|Delphinium giraldii|Tanacetum albipannosum|Marine isolate|Sideritis dasygnaphala|Phlomis crinita|Rosa davurica|Pentagonia gigantifolia|Emericellopsis minima|Zephyranthes flava|Bursera kerberi|Clerodendrum trichotomum|Creosphaeria sassafras|Alstonia angustiloba|Caulerpa sertularioides|Lasianthaea podocephala|Selinum libanotis|Delisea elegans|Euploca racemosa|Alchornea floribunda|Helenium integrifolium|Laurencia implicata|Eucalyptus albens|Baccharis grandicapitulata|Annona cherimola|Rhododendron mucronulatum|Costasiella ocellifera|Botrychium ternatum|Morella pensylvanica|Pestalotiopsis oenotherae|Stichopus hermanni|Sarcophyton flexuosum|Renealmia alpinia|Euonymus fortunei|Hedysarum gmelini|Helichrysum infaustum|Alchornea trewioides|Pellacalyx axillaris|Pseudocyphellaria australiensis|Streptomyces parvisporogenes|Stellaria media|Juniperus scopulorum|Barbus labeo|Aspergillus microcysticus|Curcuma aeruginosa|Papaver pseudocanescens|Piper brachystachyum|Crotalaria stolzii|Micromonospora echinospora|Gutierrezia dracunculoides|Lupinus cosentinii|Beesia calthifolia|Streptomyces melanogenes|Melampodium leucanthum|Sargassum spinuligerum|Artemisia pectinata|Lissoclinum vareau|Psidium acutangulum|Clinacanthus nutans|Coffea liberica var. dewevrei|Ormosia dasycarpa|Senecio congestus|Tephroseris kirilowii|Boschniakia rossica|Pterogorgia anceps |
Gen=DNA/RNA Synthesis|Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Geminin - Homo sapiens | Adenosylhomocysteinase - Mus musculus | Hepatitis C virus NS5B RNA-dependent RNA polymerase - Hepatitis C virus | Dipeptidyl peptidase IV - Homo sapiens | Adenylate cyclase type V - Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens |Org= Human herpesvirus 1 | Human herpesvirus 2 | Moloney murine leukemia virus | Human herpesvirus 3 | Vaccinia virus | Trichomonas vaginalis | Cowpox virus | Human herpesvirus 1 strain KOS | Vaccinia virus Copenhagen | Macacine herpesvirus 1 | African swine fever virus | unidentified influenza virus | Human herpesvirus 5|Org=Oryctolagus cuniculus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Gen=DNA Damage |
3D viewer |
Pubchem |
4LCA 4LC4 3KW2 3UAY |
12358320 |
4005-33-8 |
C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O |
OIRDTQYFTABQOQ-XJCFNFQFSA-N |
267.10000 |
C10H13N5O4 |
-2.2791 |
9 |
4 |
139.54 |
6.0 |
19 |
3 |
|
|
| Juglone |
natural product |
Juglans mandshruica|Diospyros virginiana|Semen juglandis|Carya illinoensis|Juglandis semen|Juglans regia|Carya ovata|Juglans nigra|Foeniculum vulgare|Platycarya strobilacea|Carya illinoinensis|Speranskia tuberculata |
Path=CASP3 pathway|Indoleamine 2,3-dioxygenase - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Dual specificity protein phosphatase 6 - Rattus norvegicus | Aldehyde dehydrogenase 1A1 - Homo sapiens | Dual specificity protein phosphatase 1 - Mus musculus | Arachidonate 5-lipoxygenase - Bos taurus | ATP-dependent DNA helicase Q1 - Homo sapiens | Dual specificity phosphatase Cdc25B - Homo sapiens | Caspase-1 - Homo sapiens | Histone acetyltransferase GCN5 - Homo sapiens | DNA polymerase kappa - Homo sapiens | Botulinum neurotoxin type A - Clostridium botulinum | Vitamin D receptor - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | DNA topoisomerase I - Homo sapiens | Bloom syndrome protein - Homo sapiens | Papain - Carica papaya | MAP kinase ERK2 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Signal transducer and activator of transcription 3 - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Cruzipain - Trypanosoma cruzi | Solute carrier organic anion transporter family member 1B3 - Homo sapiens |Org= Mycobacterium tuberculosis H37Rv | Trichoplusia ni | Escherichia coli | Erwinia pyrifoliae | Erwinia amylovora | Trichomonas vaginalis | Pectobacterium carotovorum |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Skin Cancer|papillomas|Org=Mycobacterium tuberculosis H37Rv | Trichoplusia ni | Escherichia coli | Erwinia pyrifoliae | Erwinia amylovora | Trichomonas vaginalis | Pectobacterium carotovorum |
3D viewer |
Pubchem |
3B7J |
3806 |
481-39-0 |
C1=CC2=C(C(=O)C=CC2=O)C(=C1)O |
KQPYUDDGWXQXHS-UHFFFAOYSA-N |
174.03000 |
C10H6O3 |
-0.7335 |
2 |
1 |
54.37 |
1.0 |
13 |
2 |
Identification and characterization of the enzymatic activity of zeta-crystallin from guinea pig lens. A novel NADPH:quinone oxidoreductase.|[Nonphysiological redox-agents are reduced at the binding center of NADP(H) glutathione reductase].|Interaction of benzoquinones with mitochondria interferes with oxidative phosphorylation characteristics.|Studies on inhibitors of skin tumor promotion, VI. Inhibitory effects of quinones on Epstein-Barr virus activation.|Irreversible inhibition of rat hepatic glutathione S-transferase isoenzymes by a series of structurally related quinones.|Effects of the chitin synthetase inhibitor plumbagin and its 2-demethyl derivative juglone on insect ecdysone 20-monooxygenase activity. |
juglone|481-39-0|5-Hydroxy-1,4-naphthoquinone|5-Hydroxy-1,4-naphthalenedione|Regianin|Juglon|5-Hydroxynaphthalene-1,4-dione|Nucin|Walnut extract|5-Hydroxynaphthoquinone|Akhnot|Yuglon|8-Hydroxy-1,4-naphthoquinone|C.I. Natural Brown 7|1,4-NAPHTHALENEDIONE, 5-HYDROXY-|5-Hydroxy-p-naphthoquinone|1,4-Naphthoquinone, 5-hydroxy-|C.I. 75500|Juglane|Jugnlon|Iuglon|Caswell No. 515AA|1,4-Naphthoquinone, 8-hydroxy-|5-Hydroxy-1,4-naphthosemiquinone|5-Hydroxy-1,4-naftochinon|UNII-W6Q80SK9L6|NSC 153189|NSC 622948|CCRIS 5423|EINECS 207-567-5|5-Hydroxy-1,4-naftochinon Czech|BRN 1909764|CHEMBL43612|W6Q80SK9L6|5-Hydroxy-1,4-naphthlenedione|5-hydroxy-1,4-dihydronaphthalene-1,4-dione|8-Hydroxy-1,4-naphthalenedione|CHEBI:15794|KQPYUDDGWXQXHS-UHFFFAOYSA-N|NCI 2323|NSC34266|NSC153189|NSC622948|1, 8-hydroxy-|J-650071|Q-100522|WLN: L66 BV EVJ GQ|5-Hydroxy-p-naphthoquinone, 97%|5-hydroxy-1,4-naphtoquinone|Antibiotic PD7|5-hydroxy-1,4- naphthalenedione|Spectrum_000415|3b7j|ACMC-1AFTN|Spectrum2_000778|Spectrum3_001228|Spectrum4_001769|Spectrum5_000357|JUGLONE CRYSTALLIZED|AC1L1GR8|AC1Q6B0X|5-HNQ|SCHEMBL34185|BSPBio_001157|BSPBio_002676|KBioGR_000497|KBioGR_002257|KBioGR_002470|KBioSS_000497|KBioSS_000895|KBioSS_002477|SPECTRUM300038|4-08-00-02368 (Beilstein Handbook Reference)|DivK1c_001026|SPBio_000856|AC1Q794F|5-Hydroxy-1,4Naphthoquinone|DTXSID0031504|BDBM24777|CTK8B1734|HMS503M13|KBio1_001026|KBio2_000497|KBio2_000895|KBio2_002470|KBio2_003065|KBio2_003463|KBio2_005038|KBio2_005633|KBio2_006031|KBio2_007606|KBio3_000913|KBio3_000914|KBio3_002176|KBio3_002948|5-hydroxy-naphthalene-1,4-dione|1,4-Naphthalenedione,5-hydroxy-|cMAP_000058|MolPort-000-725-926|NINDS_001026|Bio1_000441|Bio1_000930|Bio1_001419|Bio2_000409|Bio2_000889|HMS1362I19|HMS1792I19|HMS1923G07|HMS1990I19|HMS3403I19|ZINC526257|5-hydroxy-1,4-naphthoquinone, 4|ACM481130|ANW-30636|CCG-40256|IN1286|MFCD00001684|NSC-34266|5-Hydroxy-1,4-naphthoquinone, 97%|AKOS001576598|5-Hydroxy-1,4-naphthalenedione, 9CI|ACN-049171|FCH1114383|LS-2142|MCULE-5238429657|NSC-153189|NSC-622948|QC-1358|RTR-030750|SDCCGMLS-0066542.P001|IDI1_001026|IDI1_002164|KS-0000195Q|SMP1_000168|NCGC00095247-01|NCGC00095247-02|NCGC00095247-03|NCGC00095247-04|NCGC00095247-05|1,4-Naphthoquinone, 5-hydroxy- (8CI)|AN-23490|CC-21839|CI 75500|ZB014304|AB0019716|DB-005382|1,4-dihydro-1,4-dioxo-5-hydroxynaphthalene|AM20040546|FT-0627559|ST50330598|V0179|C03840|C-05811|SR-05000002406|I14-6718|SR-05000002406-1|F0451-0746|InChI=1/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12|481-13-0|JUG| |
| (6Z)-3,7,11-Trimethyldodeca-1,6,10-Trien-3-Ol |
natural product |
Satureja montana|Comptonia peregrina|Hypericum perforatum|Murraya exotica|Amomum xanthioides|Illicium verum|Murraya paniculata|Artemisia argyi|Laggera pterodonta|Panax ginseng|Artemisia capillaris|Artemisia montana|Lindera aggregata|Panax notoginseng|Artemisia princeps|Lindera strichnifolia|Panax quinquefolius|Saussurea costus|Lobelia chinensis|Perilla frutescens|Bupleurum chinense|Piper nigrum|Prunella vulgaris|Bupleurum falcatum|Schisandra chinensis|Bupleurum scorzonerifolium|Vitex negundo|Capsicum annuum|Dolomiaea souliei|Senna alexandrina|Zanthoxylum bungeanum|Chrysanthemum zawadskii|Zanthoxylum piperitum|Actaea dahurica|Zanthoxylum schinifolium|Actaea cimicifuga|Zingiber officinale|Actaea heracleifolia|Elsholtzia bodinieri|Actaea simplex|Cinamomum cassia|Cinnamomum aromaticum|Citrus aurantium|Citrus maxima|Citrus sinensis|Curcuma kwangsiensis|Curcuma longa|Lindera umbellata|Curcuma phaeocaulis|Angelica pubescens|Curcuma wenyujin|Eriobotrya japonica|Dalbergia odorifera|Valeriana jatamansii|Elettaria cardamomum|Myroxylon pereirae|Elsholtzia ciliata|Cinnamomum camphora|Ferula assafoetida|Ferula fukanensis|Lonicera japonica|Citrus aurantium var. amara engl.|Ferula sinkiangensis|Mentha arvensis|Acorus calamus|Foeniculum vulgare|Mentha canadensis|Amomum longiligulare|Ginkgo biloba|Mosla chinensis|Amomum villosum |
Nuclear factor erythroid 2-related factor 2 - Homo sapiens |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma |
3D viewer |
Pubchem |
4MC3 |
5320128 |
3790-78-1 |
CC(=CCCC(=CCCC(C)(C=C)O)C)C |
FQTLCLSUCSAZDY-KAMYIIQDSA-N |
222.20000 |
C15H26O |
3.7014 |
1 |
1 |
20.23 |
12.0 |
16 |
0 |
Inhibition of azoxymethane-induced neoplasia of the large bowel by 3-hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene (nerolidol).|Characterization of the isoprenoid chain of coenzyme Q in Plasmodium falciparum.|Activity and mechanisms of action of selected biocidal agents on Gram-positive and -negative bacteria.|Differential timing of spider mite-induced direct and indirect defenses in tomato plants.|Antileishmanial activity of the terpene nerolidol.|Antifungal effect of eugenol and nerolidol against Microsporum gypseum in a guinea pig model. |
cis-Nerolidol|NEROLIDOL|3790-78-1|FQTLCLSUCSAZDY-KAMYIIQDSA-N|(Z)-Nerolidol|Peruviol|cis-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol|1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, S-(Z)-|(+)-Nerolidol|1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (Z)-(S)-(+)-|Nerolidol cis-form|Nerolidol, cis-(+)-|Nerolidol isomer|NSC 60598|7212-44-4|EINECS 223-263-5|Nerolidol,cis-(sg)|AC1NSZ3P|(6Z)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol|(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol|DSSTox_CID_27239|DSSTox_RID_82202|DSSTox_GSID_47239|1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3S,6Z)-|(Z)-3,7,11-Trimethyldodeca-1,6,10-trien-3-ol|SCHEMBL7057492|CHEMBL3185053|DTXSID1047239|FQTLCLSUCSAZDY-KAMYIIQDSA-|cis-Nerolidol, >=96.0% (GC)|Tox21_302456|MFCD00085350|AKOS032949863|NCGC00256775-01|CAS-3790-78-1|(E)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol|trans-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol|3,7,11-Trimethyl-1,6,10-dodecatriene-3-ol, (Z)-(S)-(+)-|InChI=1/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11-| |
| Lobohedleolide |
natural product |
Lobophytum crassum|Lobophytum hedleyi|Lobophytum |
Org=Human immunodeficiency virus 1 |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Org=Human immunodeficiency virus 1 |
3D viewer |
Pubchem |
|
6475569 |
81026-38-2 |
CC1=CCCC(=CCCC(=CC2C(CC1)C(=C)C(=O)O2)C)C(=O)O |
SORYERHBQFTRIK-AQJYKDKHSA-N |
330.18000 |
C20H26O4 |
2.8791 |
4 |
1 |
63.60 |
4.0 |
24 |
2 |
HIV-inhibitory cembrane derivatives from a Philippines collection of the soft coral Lobophytum species. |
|
| Laxiflorin J |
natural product |
Isodon eriocalyx |
|
Dis=Bladder Cancer|Transitional Cell Carcinoma|Chronic Myelogenous Leukemia |
3D viewer |
Pubchem |
|
637474 |
No Cas |
CC1(C2CC(=O)C3(C1C(C(=O)C45C3CCC(C4)C(=C)C5=O)O)CO2)C |
LWOAEMJVKDXOEG-GVWZTLLNSA-N |
344.16000 |
C20H24O5 |
-0.6159 |
5 |
1 |
80.67 |
3.0 |
25 |
3 |
|
|
| Adenosine |
bioactive compound |
Isatis indigotica|Streptomyces herbaceus am-3279|Boschniakia rossica| |
Gen=Adenosine Receptor|Gen=DNA/RNA Synthesis|Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Geminin - Homo sapiens | Adenosylhomocysteinase - Mus musculus | Hepatitis C virus NS5B RNA-dependent RNA polymerase - Hepatitis C virus | Dipeptidyl peptidase IV - Homo sapiens | Adenylate cyclase type V - Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens |Org= Human herpesvirus 1 | Human herpesvirus 2 | Moloney murine leukemia virus | Human herpesvirus 3 | Vaccinia virus | Trichomonas vaginalis | Cowpox virus | Human herpesvirus 1 strain KOS | Vaccinia virus Copenhagen | Macacine herpesvirus 1 | African swine fever virus | unidentified influenza virus | Human herpesvirus 5|Org=Oryctolagus cuniculus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Gen=GPCR & G Protein |
3D viewer |
Pubchem |
4LCA 4LC4 3KW2 3UAY |
60961 |
58-61-7 |
C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O |
OIRDTQYFTABQOQ-UHFFFAOYSA-N |
267.24000 |
C10H13N5O4 |
-1.881 |
4 |
4 |
140.00 |
2.0 |
19 |
3 |
Adenosine is a nucleoside composed of a molecule of adenine attached to a ribose sugar molecule (ribofuranose) moiety via a ?-N9-glycosidic bond. |
N/A |
| Vidarabine |
bioactive compound |
Isatis indigotica|Streptomyces herbaceus am-3279|Boschniakia rossica| |
Gen=DNA/RNA Synthesis|Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Geminin - Homo sapiens | Adenosylhomocysteinase - Mus musculus | Hepatitis C virus NS5B RNA-dependent RNA polymerase - Hepatitis C virus | Dipeptidyl peptidase IV - Homo sapiens | Adenylate cyclase type V - Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens |Org= Human herpesvirus 1 | Human herpesvirus 2 | Moloney murine leukemia virus | Human herpesvirus 3 | Vaccinia virus | Trichomonas vaginalis | Cowpox virus | Human herpesvirus 1 strain KOS | Vaccinia virus Copenhagen | Macacine herpesvirus 1 | African swine fever virus | unidentified influenza virus | Human herpesvirus 5|Org=Oryctolagus cuniculus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Gen=DNA Damage |
3D viewer |
Pubchem |
4JV0 4YR2 5KFD 4KLS |
21704 |
5536-17-4 |
C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O |
OIRDTQYFTABQOQ-UHFFFAOYSA-N |
267.24000 |
C10H13N5O4 |
-1.881 |
4 |
4 |
140.00 |
2.0 |
19 |
3 |
Vidarabine is an antiviral drug by interfering with the synthesis of viral DNA, used to treat herpes simplex and varicella zoster viruses. |
N/A |
| Aloe-emodin |
anticancer |
Aloe spp|Aloe vera|Rheum palmatum|Cassia garrettiana| |
Path=NAT1 pathway|BCL2 pathway|CCNB1 pathway|CDK1 pathway|BAX pathway|CASP3 pathway|CDC25C pathway|CDKN1A pathway|FAS pathway|TP53 pathway|WEE1 pathway|MAPK1 pathway|MAPK3 pathway|CCNA1 pathway|CDK2 pathway|MYC pathway|PCNA pathway|PRKCA pathway|BCL2L1 pathway|BID pathway|N/A|ATF6 pathway|MMP9 pathway|none|MMP2 pathway|AIFM1 pathway|HSPA5 pathway|PARP1 pathway|MAPK14 pathway|MAPK9 pathway|VEGFA pathway|NFKB1 pathway|PTGS2 pathway|CASP8 pathway|CASP9 pathway|FADD pathway|FASLG pathway|TNF pathway|TRADD pathway|TRAF1 pathway|TRAF2 pathway|CYCS pathway|JUN pathway|MAP3K5 pathway|MAPK8 pathway|CASP7 pathway|Gen=Anti-infection |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|Bladder Cancer|Transitional Cell Carcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioma|Neuroblastoma|Glioblastoma|Cervical Cancer|Cervical Adenocarcinoma|Cervical Carcinoma Papilloma |Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Head and Neck Cancers|head and neck squamous cell carcinoma|Nasopharyngeal carcinoma|Oral Squamous Cell Carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Hepatoma|Melanoma|malignant melanoma|Murine Melanoma|Skin cancer|Merkel cell carcinoma |Non-Melanoma Skin Cancers|Fibroblast|Non-small Cell Lung Cancer|large cell carcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Gen=Microbiology |
3D viewer |
Pubchem |
|
10207 |
481-72-1 |
C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)CO)O |
YDQWDHRMZQUTBA-UHFFFAOYSA-N |
270.24000 |
C15H10O5 |
1.719 |
2 |
3 |
94.80 |
1.0 |
20 |
|
Aloe-emodin is an interferon-inducing agent with IC50 of about 1 ?g/mL for JEV and of about 0.33 ?g/mL for EV71. |
NSC 38628, Rhabarberone |
| n.a. |
natural product |
Juniperus communis|Myrica nagi|oidiodendron truncata|Lactuca serriola|Epipedobates tricolor |
Org=Bacillus megaterium | Filobasidiella neoformans | Chlorella fusca | Microbotryum violaceum | Hordeum vulgare | Candida albicans |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Colorectal Cancer|Colorectal Adenocarcinoma|Melanoma|malignant melanoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Org=Bacillus megaterium | Filobasidiella neoformans | Chlorella fusca | Microbotryum violaceum | Hordeum vulgare | Candida albicans |
3D viewer |
Pubchem |
|
301929 |
23660-12-0 |
CC12CCCC3(C1C(C=C4C2=CC(=O)OC4OC)OC3=O)C |
XFWZBMTTXLUWKW-YIUHCBHRSA-N |
304.13000 |
C17H20O5 |
0.5358 |
5 |
0 |
61.83 |
4.0 |
22 |
4 |
Natural and synthetic podolactones with potential use as natural herbicide models.|LL-Z1271alpha: an interleukin-1beta production inhibitor. |
LL-Z1271alpha|23660-12-0|LL-Z 1271alpha|Oidiolactone B|LL-Z1271|NSC 180975|PR 1387|LL Z1271.alpha.|LL-Z 1271.alpha.|AC1L6ZH3|LL Z1271d|Antibiotic LL Z1271.alpha.|ANTIBIOTIC LL-Z1271A|CHEMBL480480|SCHEMBL7497165|Antibiotic LL-Z 1271.alpha.|NSC180975|NSC-180975|7-Methoxy-3a,10b-dimethyl-1,2,3,3aalpha,5aalpha,7,10bbeta,10calpha-octahydro-4H,9H-furo(2,3',4':4,5)naphtho(2,1-c)pyran-4,9-dione|(3aS-(3aalpha,5aalpha,7alpha,10bbeta,10calpha))-1,2,3,3a,5a,7,10b,10c-Octahydro-7-methoxy-3a,10b-dimethyl-4H,9H-furo(2',2',4':4,5-)naphtho(2,1-c)pyran-4,9-dione|4H,3',4':4,5naphtho2,1-cpyran-4,9-dione, 1,2,3,3a,5a,7,10b,10c-octahydro-7-methoxy-3a,10b-dimethyl-, 3aS-(3a.alpha.,5a.alpha.,7.alpha.,10b.beta.,10c.alpha.)-|4H,3',4':4,5naphtho2,1-cpyran-4,9-dione, 1,2,3,3a,5a.beta.,7,10b,10c.beta.-octahydro-7.beta.-methoxy-3a.beta.,10b.alpha.-dimethyl-, (-)-|4H,9H-Furo(2',3',4':4,5)naphtho(2,1-c)pyran-4,9-dione, 1,2,3,3a,5abeta,7,10b,10cbeta-octahydro-7beta-methoxy-3abeta,10balpha-dimethyl-, (-)- (8CI)|LL-Z 1271alpha; 4H,9H-Furo(2',3',4':4,5)naphtho(2,1-c)pyran-4,9-dione, 1,2,3,3a,5a,7,10b,10c-octahydro-7-methoxy-3a,10b-dimethyl-, (3aS-(3aalpha,5aalpha,7alpha,10bbeta,10calpha))- (9CI)| |
| Myricetin 3-O-Alpha-L-Rhamnoside |
natural product |
Myrica rubra|byrsonima coccolobifolia|Choerospondiatis fructus |
Gen=PKC|DNA polymerase beta - Homo sapiens | Muscleblind-like protein 1 - Homo sapiens | Zinc finger protein mex-5 - Caenorhabditis elegans | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Cytoplasmic zinc-finger protein - Caenorhabditis elegans | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Microtubule-associated protein tau - Homo sapiens | DNA polymerase kappa - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | Flap endonuclease 1 - Homo sapiens | Mannose-6-phosphate isomerase - Homo sapiens | Lysosomal alpha-glucosidase - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Ataxin-2 - Homo sapiens | Serine/threonine-protein kinase PLK1 - Homo sapiens | DNA polymerase eta - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | DNA polymerase iota - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Rap guanine nucleotide exchange factor 3 - Homo sapiens | Protein disulfide-isomerase - Homo sapiens |Org= Plasmodium falciparum|Arginase - Leishmania amazonensis |
Dis=Acute Myeloid Leukemia|Basophilic Leukemia|Gen=TGF-beta/Smad |
3D viewer |
Pubchem |
|
9890615 |
No Cas |
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O |
DCYOADKBABEMIQ-UAUDGOHLSA-N |
464.10000 |
C21H20O12 |
-4.8524 |
6 |
8 |
206.60 |
12.0 |
33 |
4 |
Antimicrobial and selected in vitro enzyme inhibitory effects of leaf extracts, flavonols and indole alkaloids isolated from Croton menyharthii.|Isolation of arginase inhibitors from the bioactivity-guided fractionation of Byrsonima coccolobifolia leaves and stems. |
|
| 3,4,5-Trihydroxy-Benzoic Acid (2S,3S)-2-(3,4-Dihydroxy-Phenyl)-5,7-Dihydroxy-Chroman-3-Yl Ester |
natural product |
Diospyros kaki|Chaenomeles sinensis|Annona cornifolia|Blastochloris viridis|Ipomoea digitata|Anacystis montana|Pastinaca sativa|Lepisorus ussuriensis|Rhizoma fagopyri cymosi|Naucleopsis ternstroemiiflora|Wikstroemia retusa|Bishovia boliviensis|Cornus officinalis|Goniothalamus malayanus|Crataegus pinnatifida|Hedysarum connatum|Cynomorium songaricum|Astragalus sempervirens|Euphorbia hirta|Amathia pinnata|Nelumbo nucifera|Vaccinium oxycoccos|Orostachys fimbriata|Scutellaria amoena|Orostachys japonicus|Adiantum lunulatum|Rheum coreanum|Sabina sargentii|Rheum officinale|Calostephane divaricata|Rheum palmatum|Pseudoalteromonas luteoviolacea|Rheum tanguticum|Peltostigma guatemalense|Gnetum latifolium|Dumortiera hirsuta|Eucalyptus melliodora|Asterospicularia laurae|Rauvolfia vomitoria|Leathesia nana|Cotyledon secunda|Rumex maritimus|Streptomyces avermitilis|Viguiera incana|green tea|Phoebe pittieri|Lysimachia mauritiana|Salvia syriaca|Laurencia spectabilis|Acacia adunca|Alstonia spathulata|Caragana aurantiaca|Marrubium anisodon|Hypericum laricifolium|Sinularia depressa|Zanthoxylum tetraspermum|Solanum laxum|Swertia franchetiana|Artemisia assoana|Premna odorata|Ampelopsis japonica|Nasutitermes ephratae|Fagopyrum dibotrys|Helipterum roseum|Rumex nepalensis|Drechslera avenae|Vitis vinifera |
Path=ODC1 pathway|Apoptosis regulator Bcl-2 - Homo sapiens |Org= Plasmodium falciparum (isolate FcB1 / Columbia) |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Gen=Others |
3D viewer |
Pubchem |
6DHL |
65056 |
Epicatechin-3-galloyl ester |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
LSHVYAFMTMFKBA-FPOVZHCZSA-N |
442.09000 |
C22H18O10 |
-3.5057 |
2 |
7 |
177.14 |
11.0 |
32 |
4 |
[The inhibitory effects of catechin derivatives on the activities of human immunodeficiency virus reverse transcriptase and DNA polymerases].|[Inhibitory effect of green tea extract on promotion and related action of TPA].|Selective inhibition of steroid 5 alpha-reductase isozymes by tea epicatechin-3-gallate and epigallocatechin-3-gallate.|[The inhibitory effects of epicatechin complex on diethylnitrosamine induced initiation of hepatocarcinogenesis in rats].|Inhibitory effects of crude drug components on the proliferation of cultured human mesangial cells.|Effects of catechins on the mouse lung carcinoma cell adhesion to the endothelial cells. |
Epicatechin-3-gallate|Epicatechin-3-galloyl ester|ent-Epicatechin 3-O-gallate|CHEMBL126142|CHEBI:76126|863-03-6|Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, cis-|AC1L22HS|(+)-epicatechin-3-O-gallate|CCRIS 9285|SCHEMBL4639313|C15H14O6.C7H6O5|ZINC4544252|BDBM50135164|LMPK12020092|LS-177919|N1865|2beta-(3,4-Dihydroxyphenyl)-3beta-(galloyloxy)-3,4-dihydro-2H-1-benzopyran-5,7-diol|(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate|(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate|3,4,5-Trihydroxy-benzoic acid (2S,3S)-2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester| |
| Chlorogenic Acid |
bioactive compound |
Plantago major|Hedeoma drummondii|Euonymus alatus |Lonicera japonica|Flos lonicerae|Lonicera hypoglauca| |
Path=MMP9 pathway|MAPK14 pathway|MAPK8 pathway|Gen=Others|Lysine-specific demethylase 4D-like - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Gen=Others |
3D viewer |
Pubchem |
5GMU |
1794427 |
327-97-9 |
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
PDRYGDFJGDJWPN-UHFFFAOYSA-N |
354.31000 |
C16H18O9 |
-0.34 |
3 |
4 |
165.00 |
5.0 |
25 |
2 |
Chlorogenic acid is a hydroxycinnamic acid and a member of a family of naturally occurring organic compounds. |
NSC 407296, Heriguard |
| Sesamin |
bioactive compound |
Zanthoxylum americanum|Sesamum indicum|Asiasarum heterotropoides|Eleutherococcus sessiliflorus|Artemisia apiacea|Eleutherococcus senticosus|Machilus thunbergii|Asarum heterotropoides var. mandshuricum|Magnolia praecocissima|Semen sesami|Eleutherococcus gracilistylus|Hyptis tomentosa|Magnolia mutabilis|Zanthoxylum acanthopodium|Artemisia absinthium|Caulerpa sertularioides|Bridelia retusa|Ruta montana|Paulownia tomentosa|Piper longum|Fagara sp|Acanthopanax gracilistylus|Fagara sp.|Acanthopanax sessiliflorus|Acanthopanax senticosus|Zanthoxylum piperitum|Hypoestes purpurea|Asarum sieboldii var. seoulensis|Fagara xanthoxyloides|Asarum sieboldii|Zanthoxylum nitidum|Hippocratea indica|Asiasarum sieboldii|Ptelea crenulata|Magnoliae flos| |
Path=AKT1 pathway|HIF1A pathway|IL6 pathway|IL8 pathway|MAPK14 pathway|MMP9 pathway|NFKB1 pathway|TNF pathway|VEGFA pathway|TFF1 pathway|BCL2 pathway|BIRC5 pathway|CCND1 pathway|ICAM1 pathway|NFKB2 pathway|NFKBIA pathway|RELA pathway|PTGS2 pathway|Gen=Others|Chromobox protein homolog 1 - Homo sapiens | TAR DNA-binding protein 43 - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Glucagon-like peptide 1 receptor - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | DNA polymerase iota - Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens|Glucagon-like peptide 1 receptor - Homo sapiens | Geminin - Homo sapiens | Parathyroid hormone receptor - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens|Cytochrome P450 2C9 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Cytochrome P450 2D6 - Homo sapiens | Cytochrome P450 2C19 - Homo sapiens |Cholinesterase - Equus caballus | Microtubule-associated protein tau - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Cytochrome P450 3A4 - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Multiple Myeloma|Plasmacytoma|Multiple Myeloma |Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Lung Epithelial Carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|prostate Carcinoma|mouse tumor model|mouse skin and pulmonary tumor|Gen=Others |
3D viewer |
Pubchem |
234D 235D 215D 2DES |
72307 |
607-80-7 |
C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6 |
PEYUIKBAABKQKQ-UHFFFAOYSA-N |
354.35000 |
C20H18O6 |
2.237 |
6 |
0 |
55.40 |
2.0 |
26 |
6 |
Sesamin, a lignan isolated from the bark of Fagara plants and from sesame oil, exhibits various health benefits. |
Fagarol, Fsesamin |
| (-)Epicatechin |
bioactive compound |
Hamamelis virginiana|Salix hulteni|Diospyros kaki|Ulmus davidiana|Litchi chinensis|Theobroma cocoa|Polygonum cuspidatum|Centella asiatica|Rheum officinale|Polyporus ellisii|Uncariae ramulus cumuncis|Ampelopsis japonica|Chaenomeles sinensis|Rheum palmatum|Spirographis spallanzani|Herbahypericiperforati|Houttuynia cordata|Chaenomeles speciosa|Rheum tanguticum|Cissus quinquefolia|Areca catechu|Hippophae rhamnoides|Cinamomum cassia|Rosa laevigata|Dioscoreaebulbiferae|Eucommia ulmoides|Cinnamomum aromaticum|Sargentodoxa cuneata|Rabdosia rosthornii|Agrimonia pilosa|Crataegus pinnatifida|Smilax china|Streptomyces libani|Lysimachiae herba|Drynaria fortunei|Cynomorium songaricum|Smilax glabra|Laurencia snyderae|Rhizoma fagopyri cymosi|Rumex japonicus|Solanum nigrum|Celastri orbiculati fructus|Crataegi folium|Fagopyrum dibotrys|Spatholobus suberectus|Hordei fructus germinatus|Semen aesculi|Euphorbia hirta|Thymus quinquecostatus|Gleditsiae fructus|Apocyniveneti folium|Morus alba|Ginkgo biloba|Thymus vulgaris|Phaseoli semen|Scutellaria baicalensis|Gleditsia japonica|Uncaria gambir|Herba pyrolae|Uncaria sinensis|Gleditsia sinensis|Uncaria macrophylla|Folium nelumbinis|Poria cocos|Uncaria rhynchophylla|Hippophae fructus|Polygonum orientale|Humulus lupulus|Nelumbo nucifera|Hypericum perforatum|Vigna angularis|Vigna umbellata|Actinidia chinensis planch|Lilium brownii|Vigna umbeuata|Amomum tsao-ko|Dimocarpus longan|Lilium lancifolium|Vitex negundo|Eucommiae cortex|Portulaca oleracea|Zanthoxylum bungeanum|Rumex nepalensis|Zanthoxylum piperitum|Cinnamomi ramulus|Lilium pumilum|Perilla frutescens|Zanthoxylum schinifolium|Arecae semen|Paeonia lactiflora|Morus bombycis|Ixeris tamagawaensis|Zingiber officinale|Gleditsiae spina|Murraya exotica|Senecio dryophyllus|Ziziphus jujuba|Abutilon theophrasti|Murraya paniculata|Senecio sinuatus|Hymenopenaeus sibogae|Senegalia catechu|Orostachys fimbriata|Heliomeris multiflora|Casimiroa tetrameria|Inula graveolens|Aloe africana|Orostachys japonicus|Aster koraiensis|green tea|Aloe vera|Aloe ferox|Bactrocera cucumis|Collisella limatula|Aloe spicata|Fallopia multiflora|Solanum giganteum|Aglaia oligophylla|Ageratum houstonianum|Apocynum venetum|Prunus mume|Ligularia dentata|Aspergillus heterothallicus|Punica granatum|Colchicum speciosum|Boehmeria nivea|Rheum coreanum|Licania pittieri |
Path=MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|Gen=ROS|Neuraminidase - Influenza A virus | Fatty acid synthase - Homo sapiens | Cyclooxygenase-1 - Ovis aries | Beta-secretase 1 - Homo sapiens |Org= Meloidogyne incognita | Plasmodium falciparum |
Dis=Hepatobiliary Cancer|Hepatoma|Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Neuroblastoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
4MA6 6AX0 6AWV 6AWT |
72276 |
490-46-0 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
PFTAWBLQPZVEMU-AFYYWNPRSA-N |
290.27000 |
C15H14O6 |
2.021 |
1 |
5 |
110.00 |
1.0 |
21 |
3 |
(?)Epicatechin is a flavonoid present in cocoa, green tea and red wine. It is a strong antioxidant, has insulin mimic action and improves heart health. |
L-Epicatechin, (-)-Epicatechol |
| (+)-Catechin |
bioactive compound |
Hamamelis virginiana|Salix hulteni|Diospyros kaki|Ulmus davidiana|Litchi chinensis|Theobroma cocoa|Polygonum cuspidatum|Centella asiatica|Rheum officinale|Polyporus ellisii|Uncariae ramulus cumuncis|Ampelopsis japonica|Chaenomeles sinensis|Rheum palmatum|Spirographis spallanzani|Herbahypericiperforati|Houttuynia cordata|Chaenomeles speciosa|Rheum tanguticum|Cissus quinquefolia|Areca catechu|Hippophae rhamnoides|Cinamomum cassia|Rosa laevigata|Dioscoreaebulbiferae|Eucommia ulmoides|Cinnamomum aromaticum|Sargentodoxa cuneata|Rabdosia rosthornii|Agrimonia pilosa|Crataegus pinnatifida|Smilax china|Streptomyces libani|Lysimachiae herba|Drynaria fortunei|Cynomorium songaricum|Smilax glabra|Laurencia snyderae|Rhizoma fagopyri cymosi|Rumex japonicus|Solanum nigrum|Celastri orbiculati fructus|Crataegi folium|Fagopyrum dibotrys|Spatholobus suberectus|Hordei fructus germinatus|Semen aesculi|Euphorbia hirta|Thymus quinquecostatus|Gleditsiae fructus|Apocyniveneti folium|Morus alba|Ginkgo biloba|Thymus vulgaris|Phaseoli semen|Scutellaria baicalensis|Gleditsia japonica|Uncaria gambir|Herba pyrolae|Uncaria sinensis|Gleditsia sinensis|Uncaria macrophylla|Folium nelumbinis|Poria cocos|Uncaria rhynchophylla|Hippophae fructus|Polygonum orientale|Humulus lupulus|Nelumbo nucifera|Hypericum perforatum|Vigna angularis|Vigna umbellata|Actinidia chinensis planch|Lilium brownii|Vigna umbeuata|Amomum tsao-ko|Dimocarpus longan|Lilium lancifolium|Vitex negundo|Eucommiae cortex|Portulaca oleracea|Zanthoxylum bungeanum|Rumex nepalensis|Zanthoxylum piperitum|Cinnamomi ramulus|Lilium pumilum|Perilla frutescens|Zanthoxylum schinifolium|Arecae semen|Paeonia lactiflora|Morus bombycis|Ixeris tamagawaensis|Zingiber officinale|Gleditsiae spina|Murraya exotica|Senecio dryophyllus|Ziziphus jujuba|Abutilon theophrasti|Murraya paniculata|Senecio sinuatus|Hymenopenaeus sibogae|Senegalia catechu|Orostachys fimbriata|Heliomeris multiflora|Casimiroa tetrameria|Inula graveolens|Aloe africana|Orostachys japonicus|Aster koraiensis|green tea|Aloe vera|Aloe ferox|Bactrocera cucumis|Collisella limatula|Aloe spicata|Fallopia multiflora|Solanum giganteum|Aglaia oligophylla|Ageratum houstonianum|Apocynum venetum|Prunus mume|Ligularia dentata|Aspergillus heterothallicus|Punica granatum|Colchicum speciosum|Boehmeria nivea|Rheum coreanum|Licania pittieri |
Path=MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|Gen=ROS|Neuraminidase - Influenza A virus | Fatty acid synthase - Homo sapiens | Cyclooxygenase-1 - Ovis aries | Beta-secretase 1 - Homo sapiens |Org= Meloidogyne incognita | Plasmodium falciparum |
Dis=Hepatobiliary Cancer|Hepatoma|Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Neuroblastoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
4MA6 6AX0 6AWV 6AWT |
9064 |
154-23-4 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
PFTAWBLQPZVEMU-DZGCQCFKSA-N |
290.27000 |
C15H14O6 |
2.021 |
1 |
5 |
110.00 |
1.0 |
21 |
3 |
Cianidanol is an antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms. |
Cianidanol, Catechinic acid, Catechuic acid |
| (Z)-1-(2,4-Dihydroxyphenyl)-3-(4-Hydroxyphenyl)Prop-2-En-1-One |
natural product |
Platymiscium floribundum|Herba sedi sarmentosi|Allium ascalonicum|Glycyrrhiza inflata|Rohdea chinensis|Cicer arietinum|Dalbergia stevensonii|Glycyrrhiza yunnanensis|Apis mellifera ligustica|Onobrychis viciifolia|Tephrosia toxicaria|Panicum miliaceum|Dalbergia sericea|Sophora tomentosa|Glycyrrhiza glabra|Caulis spatholobi|Robinia pseudoacacia|Glycyrrhiza uralensis|Dracaena draco|Muntingia calabura|Dalbergiae odoriferae lignum|Spatholobus suberectus|Boehmeriae rhizoma et radix|Hedysarum multijugum maxim|Polygonati rhizoma|Hedysari radix|Caulis millettiae|Lignum dalbergiae odoriferae rosewood|Radix glycyrrhizae preparata |
Gen=Others|Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Cytochrome P450 2C19 - Homo sapiens | Pyruvate kinase - Leishmania mexicana | Pyruvate kinase isozymes M1/M2 - Homo sapiens | Cytochrome P450 2D6 - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Cytochrome P450 3A4 - Homo sapiens | Nuclear factor NF-kappa-B p105 subunit - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Cytochrome P450 1A2 - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|ileocecal colorectal adenocarcinoma |Melanoma|Murine Melanoma|Gen=Others |
3D viewer |
Pubchem |
5YX4 1FP1 4RLU |
6603886 |
Lopac-I-3766 |
C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O |
DXDRHHKMWQZJHT-BAQGIRSFSA-N |
256.07000 |
C15H12O4 |
-1.2836 |
1 |
3 |
77.76 |
6.0 |
19 |
2 |
|
|
| Hederagenin |
bioactive compound |
Kalopanax pictus|Diospyros kaki|Scutellaria lateriflora|Akebiae frucyus| |
Gen=Others|Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Quinone reductase 1) - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens |Org= Hepatitis C virus |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Gen=Others |
3D viewer |
Pubchem |
|
73299 |
465-99-6 |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1)C)C(=O)O)C |
PGOYMURMZNDHNS-MYPRUECHSA-N |
472.70000 |
C30H48O4 |
5.356 |
1 |
2 |
77.80 |
2.0 |
34 |
5 |
Hederagenin is a highly water insoluble triterpenoid compound that can be found in various plants including Hedera helix and Chenopodium quinoa. It exhibits a variety of biological activities, including potent antitumor properties both in vitro and in vivo. |
Caulosapogenin, Hederagenol, Hederagenic acid, Astrantiagenin E |
| Wogonin |
anticancer |
Scutellaria baicalensis|Bupleurum scorzonerifolium|Medicosma cunninghamii|Physalis minima|Scutellariae barbatae herba|Scutellaria barbata|Phellodendri amurensis cortex|Anodendron affine|Scutellaria epilobifolia|Dictamni cortex|Arachis hypogaea|Scutellaria viscidula|Forsythiae fructus|Scutellariae radix|Plantago major|Andrographis herba|Scutellaria hypericifolia|Oroxyli semen|Senecio speciosus|Atractylodes lancea|Achyranthis bidentatae radix|Prunus persica|Phellodendron chinense|Astragalus membranaceus|Vincetoxicum amplexicaule|Scutellaria rehderiana|Astragalus mongholicus|Coptis chinensis|Scutellaria lateriflora|Oroxylum indicum|Coptis deltoidea|Coptis japonica|Dioscorea tokoro|Bupleurum chinense|Coptis teeta|Crambe hispanica subsp. abyssinica|Scutellaria balcalensis|Dictamnus dasycarpus|Utricularia vulgaris|Andrographis paniculata|Eucommia ulmoides|Uvaria acuminata|Scutellaria likiangensis|Gardenia jasminoides|Helichrysum lindleyi|Saposhnikovia divaricata|Caesalpinia tinctoria|Cusparia macrocarpa|Eunicea knighti|Andropogon jwarancusa|Chromodoris hamiltoni|Sophora japonica|Anthemis auriculata|Clathrotropis brachypetala|Parinari campestris|Petrosimonia monandra|Undaria pinnatifida|Euphorbia sapinii|Stellaria dichotoma|Stellaria dichotoma var. lanceolata|Scutellaria amoena|Stizophyllum riparium|Dalbergia nigra|Kopsia hainanensis|Kalmia latifolia |
Path=ABCB5 pathway|AR pathway|Gen=CDK,Transferase|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus | Chromobox protein homolog 1 - Homo sapiens | Cyclooxygenase-2 - Mus musculus | Mothers against decapentaplegic homolog 3 - Homo sapiens | Rap guanine nucleotide exchange factor 3 - Homo sapiens | Geminin - Homo sapiens | Xanthine dehydrogenase - Bos taurus | Beta-2 adrenergic receptor - Homo sapiens | Serotonin 7 (5-HT7) receptor - Homo sapiens | Glutaminase kidney isoform, mitochondrial - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Avian myoblastosis virus polyprotein II - Avian myeloblastosis virus | 6-phospho-1-fructokinase - Trypanosoma brucei | Nitric oxide synthase, inducible - Mus musculus | Cyclooxygenase-2 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens |Org= Spodoptera litura | Hepatitis B virus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Lung Epithelial Carcinoma|Squamous Celll Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|Gen=Cell Cycle |
3D viewer |
Pubchem |
6F6A |
5281703 |
632-85-9 |
COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O |
|
284.26000 |
C16H12O5 |
2.636 |
3 |
2 |
76.00 |
2.0 |
21 |
3 |
Wogonin, a natural and biologically-active flavonoid found in plants, is an inhibitor of CDK9 and does not inhibit CDK2, CDK4 and CDK6 at doses that inhibit CDK9 activity Also inhibits N-acetyltransferase. |
Vogonin |
| 4-(2-Amino-1-Hydroxyethyl)Benzene-1,2-Diol |
natural product |
Alternaria alternata|Homo sapiens|Portulaca oleracea |
Path=BCL2 pathway|CASP8 pathway|CASP3 pathway|CASP9 pathway|AMPK pathway|Chromobox protein homolog 1 - Homo sapiens | Dopamine D1 receptor - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | 6-phospho-1-fructokinase - Trypanosoma brucei | Flap endonuclease 1 - Homo sapiens | Phosphoglycerate kinase, glycosomal - Trypanosoma brucei brucei | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | DNA polymerase kappa - Homo sapiens | Vitamin D receptor - Homo sapiens |Org= Rattus norvegicus |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|Prostate Cancer|prostate Carcinoma|Prostate Adenocarcinoma|Org=Rattus norvegicus |
3D viewer |
Pubchem |
3DYE 3HCD 2QEO 4PAH |
951 |
No Cas |
C1=CC(=C(C=C1C(CN)O)O)O |
SFLSHLFXELFNJZ-UHFFFAOYSA-N |
169.07000 |
C8H11NO3 |
-2.1696 |
2 |
4 |
86.71 |
6.0 |
12 |
1 |
Cloning of the gene for a human dopamine D5 receptor with higher affinity for dopamine than D1.|Structural basis of beta-adrenergic receptor subtype specificity studied with chimeric beta 1/beta 2-adrenergic receptors.|[Music therapy induced alternations in natural killer cell count and function].|Age- and gender-related growth hormone responses to intravenous clonidine in healthy adults.|Neural mechanisms underlying peak-dose dyskinesia induced by levodopa and apomorphine are distinct: evidence from the effects of the alpha(2) adrenoceptor antagonist idazoxan.|Cofilin activation during Ca(2+)-triggered secretion from adrenal chromaffin cells. |
dl-Arterenol|dl-Noradrenaline|dl-Norepinephrine|4-(2-amino-1-hydroxyethyl)benzene-1,2-diol|Noradrenalin, dl-|(+-)-Noradrenaline|138-65-8|NSC 294898|EINECS 205-337-9|1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-|3HNE|CHEBI:33569|SFLSHLFXELFNJZ-UHFFFAOYSA-N|NSC294898|(1)-4-(2-Amino-1-hydroxyethyl)pyrocatechol|Noradrenalina|d-Arterenol|d-Norepinephrine|xi-Norepinephrine|1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (.+/-.)-|BENZYL ALCOHOL, alpha-(AMINOMETHYL)-3,4-DIHYDROXY-, (+-)-|(+/-)Arterenol|Noradrop|EINECS 205-750-4|MFCD00025592|Noradrenaline,(+)|Norepinephrine, DL-|2-amino-1-(3,4-dihydroxyphenyl)ethanol|(.+-.)-Noradrenaline|(.+/-.)-Arterenol|(.+-.)-Norepinephrine|DL-7-3Hnorepinephrine|(.+/-.)-Noradrenaline|CHEMBL432|(.+/-.)-Norepinephrine|WLN: Z1YQR CQ DQ|AC1L1AE8|AC1Q7AC5|SCHEMBL2610|Norepinephrine, (+)-Isomer|GTPL484|Noradrenaline, racemic mixture|BENZYL ALCOHOL, alpha-(AMINOMETHYL)-3,4-DIHYDROXY-, (+)-|Norepinephrine, (+,-)-Isomer|BDBM35234|CTK5A3318|BCP04227|1, 4-(2-amino-1-hydroxyethyl)-|4-(1-Hydroxy-2-aminoethyl)catechol|PDSP1_001514|PDSP2_001498|AKOS000123495|AKOS022180874|CCG-204148|EBD3051430|MCULE-6262207923|NSC-294898|NCGC00185992-01|1-(3,4-Dihydroxy)phenyl-2-aminoethanol|AC-10030|Benzyl alcohol,4-dihydroxy-, (.+-.)-|LS-42677|LS-42678|ST50410590|4-(2-amino-1-hydroxy-ethyl)benzene-1,2-diol|1, 4-(2-amino-1-hydroxyethyl)-, (.+-.)-|4-(2-Amino-1-hydroxyethyl)-1,2-benzenediol #|L000933|SR-01000075279-3|4-(1rs)-2-amino-1-hydroxyethyl-1,2-benzenediol|1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (dl)-|1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (RS)-|1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (+-)-|1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (+-)- (9CI)|1,2-Benzenediol,4-(2-amino-1-hydroxyethyl)-, hydrochloride (1:1)|Benzyl alcohol, .alpha.-(aminomethyl)-3,4-dihydroxy-, (.+/-.)-|( inverted exclamation markA)-|A-(Aminomethyl)-3,4-dihydroxybenzyl alcohol|DL-Arterenol, dl-Norepinephrine, EINECS 205-337-9, (+/-)-Noradrenaline| |
| 3-Dehydroxylpresinularolide B |
natural product |
Lobophytum crassum |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
24899913 |
No Cas |
CC1=CCCC(=CCC2C(CC(=CCC1)C)OC(=O)C2=C)CO |
KXVIJXIRUBWYDB-WJEGPQOWSA-N |
316.20000 |
C20H28O3 |
2.477 |
3 |
1 |
46.53 |
4.0 |
23 |
2 |
|
|
| Cyclosporin A |
bioactive compound |
Mycale hentscheli |
Gen=Immunology & Inflammation related|immunosuppressant |
Dis=Acute Myeloid Leukemia|Acute Myeloid Leukemia|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
1MIK |
5284373 |
59865-13-3 |
CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C |
PMATZTZNYRCHOR-IMVLJIQESA-N |
1202.61000 |
C62H111N11O12 |
4.333 |
11 |
5 |
279.00 |
15.0 |
85 |
|
Cyclosporin A is an immunosuppressive agent, binds to the cyclophilin and then inhibits calcineurin with IC50 of 7 nM in a cell-free assay, widely used in organ transplantation to prevent rejection. |
Cyclosporine A |
| Demethyloxy-Aaptamine |
natural product |
Hymeniacidon spp|Aaptos aaptos|hymeniacidon sp. |
Sortase - Staphylococcus aureus |Org= Staphylococcus aureus |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Kidney Cancer|kidney cancer|Melanoma|malignant melanoma|Non-small Cell Lung Cancer|large cell carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Org=Staphylococcus aureus |
3D viewer |
Pubchem |
|
10036084 |
No Cas |
COC1=CC2=C3C(=NC=C2)C=CN=C3C1=O |
GANPHKNZVLUMPJ-UHFFFAOYSA-N |
212.06000 |
C12H8N2O2 |
-0.2946 |
4 |
0 |
52.08 |
2.0 |
16 |
3 |
Antineoplastic agents. 380. Isolation and X-ray crystal structure determination of isoaaptamine from the Republic of Singapore Hymeniacidon sp. and conversion to the phosphate prodrug hystatin 1.|Aaptamines as sortase A inhibitors from the tropical sponge Aaptos aaptos. |
|
| Gomisin C |
natural product |
Schisandra chinensis|Kadsura interior|Schisandra arisanensis|Schisandra sphenanthera |
Cytochrome P450 3A4 - Homo sapiens |
Dis=Breast Cancer|Ductal Adenocarcinoma|Breast Carcinoma|Chronic Myelogenous Leukemia|Head and Neck Cancers|epidermoid carcinoma of the nasopharynx |
3D viewer |
Pubchem |
|
151529 |
58546-56-8 |
CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C(C1(C)O)OC(=O)C5=CC=CC=C5)OC)OC)OC)OC)OCO3 |
UFCGDBKFOKKVAC-DSASHONVSA-N |
536.20000 |
C30H32O9 |
-0.5025 |
3 |
1 |
101.91 |
14.0 |
39 |
5 |
Inhibition by gomisin C (a lignan from Schizandra chinensis) of the respiratory burst of rat neutrophils.|Identification and characterization of potent CYP3A4 inhibitors in Schisandra fruit extract.|Dibenzocyclooctadiene lingnans: a class of novel inhibitors of P-glycoprotein.|Protective effects of dibenzocyclooctadiene lignans from Schisandra chinensis against beta-amyloid and homocysteine neurotoxicity in PC12 cells.|Anti-inflammatory effect of heme oxygenase-1 toward Porphyromonas gingivalis lipopolysaccharide in macrophages exposed to gomisins A, G, and J.|Pharmacokinetic study of schisandrin, schisandrol B, schisantherin A, deoxyschisandrin, and schisandrin B in rat plasma after oral administration of Shengmaisan formula by UPLC-MS. |
Schisantherin A|58546-56-8|Gomisin C|CHEMBL404875|UNII-873480KS4A|AC1L46IR|CHEBI:9048|MolPort-005-932-873|873480KS4A|Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxole-5,6-diol, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, 5-benzoate, (5S-(5alpha,6beta,7beta))-|Schizandrol-A|Schisantherin Gomisin|Gomisin C/Schizantherin A|DTXSID70207261|BCP15178|HY-N0694|ZINC4098927|BDBM50418091|AKOS015897145|CS-3660|(5S-(5alpha,6beta,7beta))-5,6,7,8-Tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethylbenzo(3,4)cycloocta(1,2-f)(1,3)benzodioxole-5,6-diol 5-benzoate|AC-11195|AN-39777|SC-48300|FT-0686703|N2655|V1538|C10881|W-2854|546S568|I07-0280|Benzo3,4cycloocta1,2-f1,3benzodioxole-5,6-diol,5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, 5-benzoate,(5S,6S,7S,13aS)-| |
| L-Norepinephrine |
natural product |
Alternaria alternata |
Path=BCL2 pathway|CASP8 pathway|CASP3 pathway|CASP9 pathway|AMPK pathway|DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | DNA polymerase kappa - Homo sapiens | Bloom syndrome protein - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Microtubule-associated protein tau - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 - Homo sapiens | Lysine-specific demethylase 4A - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|Prostate Cancer|prostate Carcinoma|Prostate Adenocarcinoma |
3D viewer |
Pubchem |
3DYE 3HCD 2QEO 4PAH |
5814 |
149-95-1 |
C1=CC(=C(C=C1C(CN)O)O)O |
SFLSHLFXELFNJZ-MRVPVSSYSA-N |
169.07000 |
C8H11NO3 |
-2.1696 |
2 |
4 |
86.71 |
6.0 |
12 |
1 |
|Study on the use of boromycin as a chiral selector in capillary electrophoresis. |
(S)-noradrenaline|(s)-norepinephrine|UNII-887AEE91JI|149-95-1|4-(1S)-2-amino-1-hydroxyethylbenzene-1,2-diol|(S)-4-(2-Amino-1-hydroxyethyl)pyrocatechol|d-Arterenol|d-Norepinephrine|887AEE91JI|CHEBI:33571|D-noradrenaline|(+)-Noradrenaline|EINECS 205-750-4|(+)-Norepinephrine|(-)Arterenol|Norepinephrine, (+)-|4-((1S)-2-amino-1-hydroxyethyl)benzene-1,2-diol|BENZYL ALCOHOL, alpha-(AMINOMETHYL)-3,4-DIHYDROXY-, (+)-|AC1Q7ABM|CHEMBL18824|(-)arte-renol bitartrate salt|AC1L1L75|SCHEMBL3489077|CTK4C6449|ZINC57623|MolPort-003-666-243|SFLSHLFXELFNJZ-MRVPVSSYSA-N|BDBM162127|PDSP1_001513|PDSP2_001497|SBB064179|AKOS025117033|NCGC00094737-01|NCGC00094737-02|NCGC00094737-03|NCGC00094737-04|AC-10037|AJ-09754|1,2-Benzenediol,4-(1S)-2-amino-1-hydroxyethyl-|BRD-K39981244-001-01-5|I14-115476|UNII-K294OAI79V component SFLSHLFXELFNJZ-MRVPVSSYSA-N| |
| Chelidonine (+) |
natural product |
Chelidonium majus |
Path=BAX pathway|CASP3 pathway|CASP9 pathway|Cytochrome P450 3A4 - Homo sapiens | Prelamin-A/C - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia |
3D viewer |
Pubchem |
|
10147 |
EINECS 207-504-1 |
CN1CC2=C(C=CC3=C2OCO3)C4C1C5=CC6=C(C=C5CC4O)OCO6 |
GHKISGDRQRSCII-UHFFFAOYSA-N |
353.13000 |
C20H19NO5 |
-1.2831 |
2 |
1 |
60.39 |
2.0 |
26 |
6 |
|
CHELIDONINE (+)|Chelidonin German|Chelidoniny Polish|TNP00274|EINECS 207-504-1|NSC646661|Spectrum_001123|SpecPlus_000569|AC1L1ULB|AC1Q6ZQM|Spectrum2_000585|Spectrum3_000625|Spectrum4_001879|Spectrum5_000478|BSPBio_002190|KBioGR_002381|KBioSS_001603|DivK1c_006665|SCHEMBL679625|SPECTRUM1500824|SPBio_000430|CHEMBL436279|KBio1_001609|KBio2_001603|KBio2_004171|KBio2_006739|KBio3_001690|GHKISGDRQRSCII-UHFFFAOYSA-N|1,3Benzodioxolo5,6-c-1,3-dioxolo4,5-iphenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-13-methyl-, (5bR,6S,12bS)-|CCG-38508|AKOS024282591|MCULE-7728607823|NSC-646661|NCGC00017335-02|NCGC00017335-03|NCGC00017335-04|NCGC00095635-01|NCGC00095635-02|NCGC00095635-03|AN-45153|LS-52944|SC-19965|ST057180|V0183|BRD-A19527356-001-02-4|13-methyl-6,7,13,14,12b,5b-hexahydro-2H,10H-1,3-dioxolano4'',5''-8',7'phenan thridino4',3'-2,1benzo4,5-d1,3-dioxolen-6-ol| |
| n.a. |
natural product |
Rabdosia rubescens |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma |
3D viewer |
Pubchem |
|
73345999 |
No Cas |
CC1(CCCC23C1C(C(C45C2C(CC(C4O)C(=C)C5=O)O)(OC3)O)O)C |
AOUAZUQTHDBROH-KJKVQUAFSA-N |
364.19000 |
C20H28O6 |
-2.1677 |
6 |
4 |
107.22 |
6.0 |
26 |
3 |
|
|
| Chebulagic Acid |
natural product |
Terminalia chebula|Excoecaria agallocha|Faramea cyanea|Zanthoxylum americanum|Phyllanthus emblica|Terminalia bellirica|Chlorocebus aethiops|Plantago indica|Cunonia macrophylla|Leonurus sibiricus|Lumbricus terrestris|Botryosphaeria berengeriana|Trilisa odoratissima|Spongilla lacustris|Rana arvalis|Nyssa sinensis|Euphorbia humifusa|Rhipocephalus phoenix|Argusia argentea|Colubrina elliptica|Cladonia macilenta|Perilla acuta|Carya tonkinensis|Excoecaria kawakamii|Stevia porphyrea|Holocarpha obconica|Plectranthus fruticosus|Bupleurum chinense |
Path=BCL2 pathway|CYCS pathway|DNA topoisomerase I - Homo sapiens | Squalene monooxygenase - Rattus norvegicus |Org= Rattus norvegicus | Staphylococcus aureus | Candida albicans | Pectobacterium carotovorum | Hepatitis C virus | Human immunodeficiency virus 1 |
Dis=Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Prostate Cancer|prostate Carcinoma|Org=Rattus norvegicus | Staphylococcus aureus | Candida albicans | Pectobacterium carotovorum | Hepatitis C virus | Human immunodeficiency virus 1 |
3D viewer |
Pubchem |
|
442674 |
23094-71-5 |
C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C(C(C(=O)O3)CC(=O)O)C(C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O |
HGJXAVROWQLCTP-YABCKIEDSA-N |
954.10000 |
C41H30O27 |
-6.8232 |
15 |
13 |
447.09 |
18.0 |
68 |
8 |
A strategy for identifying novel, mechanistically unique inhibitors of topoisomerase I.|Anti-AIDS agents, 2: Inhibitory effects of tannins on HIV reverse transcriptase and HIV replication in H9 lymphocyte cells.|Inhibitory effect of tannins on reverse transcriptase from RNA tumor virus.|Ellagitannins and hexahydroxydiphenoyl esters as inhibitors of vertebrate squalene epoxidase.|Inhibition of HIV-1 integrase by galloyl glucoses from Terminalia chebula and flavonol glycoside gallates from Euphorbia pekinensis.|In vitro anti-Neisseria gonorrhoeae activity of Terminalia macroptera leaves. |
Chebulagic acid|23094-71-5|CHEBI:3583|AC1L9D78|CHEMBL525240|NSC636590|2-nonahydroxy-pentaoxo-(3,4,5-trihydroxybenzoyl)oxy-?ylacetic acid|9150Af|GN-29|BDBM50366290|C41H30O27|ZINC169293868|FT-0698058|C10214|.beta.-D-Glucopyranose, cyclic 3,6-(1R)-4,4',5,5',6,6'-hexahydroxy1,1'-biphenyl-2,2'-dicarboxylate 1-(3,4,5-trihydroxybenzoate), cyclic| |
| n.a. |
natural product |
Sophora flavescens|Eria anomala|Siphonaria capensis|Chondrodendron tomentosum|Epilobium hirsutum|Lycogala epidendrum|Shigella dysenteriae|Euphorbia nematocypha|Embelia schimperi|Baccharis neglecta|Aplophyllum alberti-regelii|Piper regnellii|Cordia leucocephala|Onopordum acanthium|Esenbeckia leiocarpa|Plathymenia reticulata|Gymnocalycium schickendantzii|Atraphaxis spinosa|Planchonia grandis|Helichrysum tenuifolium|Conus mus|Abelia chinensis|Dolabella californica|Hypericum styphelioides|Vernonia fagifolia|Rhinella marina|Monsonia senegalensis|Theonella conica|Haplophyllum obtusifolium|Lemaireocereus longispinus|Asimina parviflora|Ephedra sinica|Syzygium polycephaloides|Lythrum salicaria|Dendronephthya griffini|Centaurea maculosa|Latrunculia magnifica|Diospyros assimilis|Tricholoma columbetta|Morella rubra|Pteridium esculentum|Faramea salicifolia|Myxococcus stipitatus|Erysimum leptophyllum|Pancratium sickenbergeri|Erythrina melanacantha|Simarouba glauca|Vellozia nanuzae|Embelia parviflora|Clerodendrum bungei |
Gen=Others |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Esophageal and Esophagogastric Junction Cancers|Esophageal squamous cell carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
21763818 |
No Cas |
C1CC2CN3C(CC=CC3=O)C4C2N(C1)CCC4 |
AAGFPTSOPGCENQ-BHPKHCPMSA-N |
246.17000 |
C15H22N2O |
-0.7479 |
3 |
0 |
23.55 |
0.0 |
18 |
4 |
|
|
| Rotundifuran |
natural product |
Vitex rotundifolia|Vitex trifolia|Corydalis cornuta|Senecio scandens|Vallaris solanacea|Coronophora gregaria|Mentha rotundifolia|Avrainvillea nigricans|Lecanora lividocinerea|Leptothorax acervorum|Mentha suaveolens|Osmundaria colensoi|Formica fusca|Grindelia nana|Eremophila serrulata|Acrocomia sclerocarpa|Scapania nemorea|Smenospongia echina|Leucanthemum maximum|Melaleuca uncinata|Rhododendron ferrugineum|Polyphaga sinensis|Didemnum inarmatum|Viscum coloratum|Shigella flexneri|Phegopteris bukoensis|Mentha pulegiformis|Hakea saligna|Abies nobilis|Monascus purpureus|Streptomyces misawanensis|Buddleja variabilis|Delphinium campylocentrum|Alkanna hirsutissima|Picris radicata|Disepalum plagioneurum|Cordyline indivisa|Persea indica|Calea megacephala|Drypetes roxburghii|Amsinckia menziesii|Dacrydium biforme|Pinus picea|Nephroma australe|Halopitys incurvus|Haloxylon salicornicum|Primula hirsuta|Piper aequale|Salvia nubicola|Jasminum grandiflorum|Rodgersia podophylla |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia |
3D viewer |
Pubchem |
|
9841926 |
50656-65-0 |
CC1CC(C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)C)OC(=O)C |
QKHCQFQIJKXMOE-UGFIEOPBSA-N |
362.25000 |
C22H34O4 |
0.5684 |
3 |
1 |
59.67 |
11.0 |
26 |
3 |
Rotundifuran, a labdane type diterpene from Vitex rotundifolia, induces apoptosis in human myeloid leukaemia cells. |
|
| Plakortide N |
natural product |
Plakortis halichondrioides|Plakortis angulospiculatus |
Org=Leishmania chagasi | Trypanosoma cruzi |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Kidney Cancer|Renal Cell Adenocarcinoma|Melanoma|malignant melanoma|Multiple Myeloma|Plasmacytoma|Non-small Cell Lung Cancer|large cell carcinoma|Lung Adenocarcinoma|Lung Epithelial Carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Org=Leishmania chagasi | Trypanosoma cruzi |
3D viewer |
Pubchem |
|
10090339 |
No Cas |
CCC=CC(CC)CC(=CC1(CC(C(OO1)CC(=O)O)CC)CC)CC |
HGRUNRAUYWALHI-XICUHNIJSA-N |
366.28000 |
C22H38O4 |
0.1642 |
4 |
1 |
55.76 |
17.0 |
26 |
1 |
|
|
| (+)-Epieudesmin |
natural product |
Hernandia nymphaeifolia|Hernandia peltata|Artemisia austriaca|Sarcomyxa serotina|Fagara heitzii|Erythrina orientalis|Michelia rajaniana|Lindera praecox|Daphne blagayana|Phora atra|Tuberolachnus salignus|Commiphora kua|Digitalis obscura|Solenostemon sylvaticus|Onychopetalum amazonicum|Russula subnigricans|Lotus villosus|Stevia serrata|Umbelopsis vinacea|Smyrnium perfoliatum|Leontodon filii|Artocarpus odoratissimus|Mesua elegans|Zanthoxylum culantrillo|Vernonia tufnellae|Chrysolaena propinqua |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|large cell carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|prostate Carcinoma |
3D viewer |
Pubchem |
|
7000209 |
No Cas |
COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)OC)OC)OC |
PEUUVVGQIVMSAW-WWLNLUSPSA-N |
386.17000 |
C22H26O6 |
-1.2052 |
2 |
0 |
55.38 |
10.0 |
28 |
4 |
|
(+)-epieudesmin|UNII-NFK65X655A|NFK65X655A|Epieudesmin|(+)-Epieudesmine|Phillygenin methyl ether|AC1OCT5A|CHEMBL512865|SCHEMBL18013553|ZINC12371281|1H,3H-Furo(3,4-C)furan, 1,4-bis(3,4-dimethoxyphenyl)tetrahydro-, (1R,3aR,4S,6aR)-|60102-89-8|(3R,3aR,6S,6aR)-3,6-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro3,4-cfuran| |
| Obovator |
natural product |
Persea obovatifolia|Farfugium japonicum|Suaeda maritima|Chuquiraga erinacea|Callyspongia spinosissima|Thioalkalivibrio versutus|Cuphea hyssopifolia|Centaurea benedicta|Pyrus bourgaeana|Gynoxys verrucosa|Ononis viscosa|Sorbus torminalis|Pinus edulis|Baccharis truncata|Benincasa hispida|Fouquieria diguetii|Pedicularis rex|Holothuria squamifera|Holarrhena floribunda|Hypogymnia vittata|Alternaria bataticola|Echinoclathria subhispida|Salvia broussonetii|Sedum sarmentosum|Lathyrus latifolius|Chloranthus fortunei|Eria rigida|Triunia erythrocarpa|Pterocarpus erinaceus|Phyllobates bicolor|Magnolia officinalis rehd et wils|Bipolaris sacchari|Magnolia obovata|Pseudocyphellaria coronata|Thelephora aurantiotincta|Sandoricum koetjape|Parectatosoma mocquerysi|Angelica japonica|Sigillina signifera|Alpinia flabellata|Posidonia oceanica|Mamestra brassicae|Euphorbia palustris|Euphorbia pithyusa|Fritillaria hupehensis |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Cervical Cancer|Cervical Carcinoma Papilloma |Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
100771 |
83864-78-2 |
C=CCC1=CC=C(C=C1)OC2=CC(=CC(=C2O)O)CC=C |
OPGPFZQBCIAFLI-UHFFFAOYSA-N |
282.13000 |
C18H18O3 |
0.9827 |
0 |
2 |
49.69 |
8.0 |
21 |
2 |
Obovatols, new chitin synthase 2 inhibitors of Saccharomyces cerevisiae from Magnolia obovata.|Inhibitory effect of obovatol on nitric oxide production and activation of NF-kappaB/MAP kinases in lipopolysaccharide-treated RAW 264.7cells.|Increase of collagen synthesis by obovatol through stimulation of the TGF-beta signaling and inhibition of matrix metalloproteinase in UVB-irradiated human fibroblast.|Obovatol from Magnolia obovata inhibits vascular smooth muscle cell proliferation and intimal hyperplasia by inducing p21Cip1.|Inhibitors of microglial neurotoxicity: focus on natural products.|Antiplatelet activity of obovatol, a biphenolic component of Magnolia Obovata, in rat arterial thrombosis and rabbit platelet aggregation. |
Obovatol|83864-78-2|1,2-Benzenediol, 5-(2-propenyl)-3-(4-(2-propenyl)phenoxy)-|5-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene-1,2-diol|obovator|obvatol|NSC 364150|4',5-Diallyl-2,3-dihydroxybiphenyl ether|AC1L2PG3|SCHEMBL454929|AC1Q56W3|CHEMBL491809|NSC364150|NSC-364150| |
| 3-Octanol |
natural product |
Satureja hortensis|Elsholtzia splendens|Lycium barbarum|Citrus reticulata|Lycium chinense|Mentha arvensis|Radix et rhizoma rhodiolae|Mentha canadensis|Folium perillae|Mosla chinensis|Angelica dahurica|Codonopsis pilosula|Perilla frutescens|Saposhnikovia divaricata|Phyllanthus emblica|Vitis vinifera|Scutellaria barbata|Homo sapiens|Ephedra sinica|Thymus quinquecostatus|Vitex trifolia|Thymus vulgaris|Radix chuanxiong|Rhizoma chuanxiong|Agastache rugosa|Schizonepeta tenuifolia|Artemisia argyi|Panax quinquefolium|Ligusticum sinense|Pericarpium citri|Citrus x paradisi|Mentha haplocalyx|Ligusticum chuanxiong|Agastache rugosus|Caulis perillae|Panax quinquefolius|Pericarpium citri reticulatae|Cocos nucifera|Caulis perillae frutescentis|Fructus galangae|Artemisia capillaris|Pericarpium citri reticulatae viride|Artemisia montana|Folium callicarpae nudiflorae|Artemisia princeps|Elsholtzia ciliata|Ganoderma lucidum|Ganoderma sinense |
Org=Salmonella typhimurium | Listeria monocytogenes | Propionibacterium acnes | Bacillus cereus | Staphylococcus aureus | Vibrio parahaemolyticus | Escherichia coli O157:H7 |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Org=Salmonella typhimurium | Listeria monocytogenes | Propionibacterium acnes | Bacillus cereus | Staphylococcus aureus | Vibrio parahaemolyticus | Escherichia coli O157:H7 |
3D viewer |
Pubchem |
|
11527 |
589-98-0 |
CCCCCC(CC)O |
NMRPBPVERJPACX-UHFFFAOYSA-N |
130.14000 |
C8H18O |
-1.8481 |
1 |
1 |
20.23 |
8.0 |
9 |
0 |
The role of volatile semiochemicals in mediating host location and selection by nuisance and disease-transmitting cattle flies.|Thermal disruption of mushroom body development and odor learning in Drosophila.|Odorant-binding proteins of the malaria mosquito Anopheles funestus sensu stricto.|Pathogenic VCP/TER94 alleles are dominant actives and contribute to neurodegeneration by altering cellular ATP level in a Drosophila IBMPFD model.|8-Carbon oxylipins inhibit germination and growth, and stimulate aerial conidiation in Aspergillus nidulans.|Neuronal function and dysfunction of Drosophila dTDP. |
3-OCTANOL|Octan-3-ol|589-98-0|Octanol-3|Amyl ethyl carbinol|Ethyl-n-amylcarbinol|Amylethylcarbinol|Ethylamylcarbinol|1-Ethylhexanol|D-n-Octanol|Ethyl amyl carbinol|20296-29-1|(S)-3-Octanol|3-Octanol (natural)|Octanol, mixed isomers|Ethylhexyl alcohol|dl-3-Octanol|Octyl alcohol, mixed isomers|n-Octan-3-ol|FEMA No. 3581|Ethyl pentyl carbinol|(1)-Octan-3-ol|EINECS 209-667-4|EINECS 243-713-4|EINECS 249-405-6|BRN 1697461|AI3-37213|CHEBI:80945|NMRPBPVERJPACX-UHFFFAOYSA-N|DL-3-Octanol, 97%|29063-28-3|3-Octyl Alcohol|ACMC-20apgg|n-Amyl ethyl carbinol|octan-3(R,S)-ol|3-Octanol, 99%|AC1L1XJY|ACMC-1BL6Z|4-01-00-01756 (Beilstein Handbook Reference)|SCHEMBL112339|3-Octanol, analytical standard|CHEMBL487998|CTK1H2870|MolPort-001-759-253|8768AB|ANW-33110|LMFA05000568|MFCD00004590|SBB059904|3-Octanol, >=97%, FCC, FG|AKOS009156959|LS-2998|MCULE-6682377557|AN-21522|AN-25289|LS-98139|SY048570|3-Octanol, natural, >=97%, FCC, FG|TR-037191|FT-0616280|FT-0616281|O0121|ST24048830|ST51046171|MFCD00004590 (97%)|C17144|A814407|I14-1163|I14-6310| |
| Betulinic acid |
bioactive compound |
Betula platyphylla|Dillenia indica|Prunus dulcis|Ulmus davidiana|Zizyphus cambodiana|Narcissus tazetta|Narcissus cantabricus|Anomala cuprea|Bidens frondosa|Solanum tuberosum|Ascochyta cypericola|Zanthoxylum zanthoxyloides|Halorosellinia oceanica|Helichrysum candolleanum|Daedalea dickinsii|Primnoa resedaeformis|Schefflera heptaphylla|Carya alba|Primula veris|Ilex latifolia|Quararibea funebris|Diphylleia grayi|Conringia orientalis|Hedysarum alpinum|Sparganii rhizoma|Halictus sexcinctus|Lycopi herba|Myristica dactyloides|Mentha javanica|Coussarea paniculata|Maytenus cuzcoina|Maytenus chiapensis|junellia tridens|Microtropis fokienensis|perrottetia arisanensis|Parmelia taylori|Orontium japonicum|Balanocarpus zeylanicus|Clematis rehderiana|Diospyros dendo |
Path=BCL2 pathway|CCND1 pathway|BAX pathway|GLI1 pathway|Gen=Topoisomerase|Org=Mycobacterium tuberculosis |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioma|Medulloblastoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Multiple Myeloma|Plasmacytoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Thyroid Cancer|Follicular carcinoma|Gen=DNA Damage |
3D viewer |
Pubchem |
5LSG |
64971 |
472-15-1 |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O |
QGJZLNKBHJESQX-UHFFFAOYSA-N |
456.70000 |
C30H48O3 |
6.546 |
1 |
1 |
57.50 |
2.0 |
33 |
5 |
Betulinic acid, a pentacyclic triterpenoid from Syzigium claviflorum, is a inhibitor of HIV-1 with EC50 of 1.4 &mu M. Phase 1/2. |
ALS-357 |
| Japonicone A |
natural product |
Inula japonica|Inula linariifolia |
|
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
44571341 |
No Cas |
CC1CCC(C2(C1=CC3C(C2)OC(=O)C34CC56C(CC7C(CC5=C(C4C6OC(=O)C)C)C(=C)C(=O)O7)C)C)O |
ABKBNZZEJVKKNL-BCGFPENCSA-N |
536.28000 |
C32H40O7 |
0.9685 |
7 |
1 |
99.13 |
8.0 |
39 |
7 |
Japonicone A suppresses growth of Burkitt lymphoma cells through its effect on NF-B. |
|
| Ovatodiolide |
natural product |
Anisomeles indica|Isodon sculponeatus|Xylosalsola arbuscula|Carcinus maenas|Cereus stellatus|Boletus bovinus|Crematogaster brevis|Urceolaria scruposa|Arctotheca calendula|Artocarpus communis|Hyptis suaveolens|Melampodium argophyllum|Danae racemosa|Quercus pedunculata|Crotalaria laburnifolia|Daphniphyllum calycinum|Elaeagnus orientalis|Ozothamnus obcordatus|Psydrax livida|Meloidogyne incognita |
|
Dis=Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
6451060 |
3484-37-5 |
CC1=CCCC2=CC(CC(=CC3C(CC1)C(=C)C(=O)O3)C)OC2=O |
KTYZKXFERQUCPX-XGKXUXTPSA-N |
328.17000 |
C20H24O4 |
2.7218 |
4 |
0 |
52.60 |
2.0 |
24 |
3 |
Antioxidative characteristics of Anisomeles indica extract and inhibitory effect of ovatodiolide on melanogenesis.|Hedgehog inhibitors from Artocarpus communis and Hyptis suaveolens.|Ovatodiolide Inhibits Breast Cancer Stem/Progenitor Cells through SMURF2-Mediated Downregulation of Hsp27.|Ovatodiolide suppresses colon tumorigenesis and prevents polarization of M2 tumor-associated macrophages through YAP oncogenic pathways.|Ovatodiolide suppresses allergic airway inflammation and hyperresponsiveness in a murine model of asthma.|Ovatodiolide suppresses yes-associated protein 1-modulated cancer stem cell phenotypes in highly malignant hepatocellular carcinoma and sensitizes cancer cells to chemotherapy in vitro. |
|
| Nyalolide |
natural product |
Sarcophyton elegans|Sarcophyton glaucum|Lobophytum laevigatum |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Colorectal Cancer|Colorectal Adenocarcinoma|Melanoma|malignant melanoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
11764087 |
No Cas |
CC1CCCC(C(=O)CC(C(=O)CC2(C(CC(=C3C2C=C(CCC4C(CCC(O4)C(C(C3)OC(=O)C)(C)O)(C)O)C)C)C(=O)C1)C(=O)OC)C(C)C)C |
UROKSVWMMOVQRB-YCQUQOSKSA-N |
742.47000 |
C43H66O10 |
0.6483 |
10 |
2 |
153.50 |
17.0 |
53 |
4 |
|
|
| Cribrostatin 6 |
natural product |
Cribrochalina spp |
Org=Neisseria gonorrhoeae | Streptococcus pneumoniae | Streptococcus | Enterococcus faecalis | Escherichia coli |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Prostate Cancer|prostate Carcinoma|Org=Neisseria gonorrhoeae | Streptococcus pneumoniae | Streptococcus | Enterococcus faecalis | Escherichia coli |
3D viewer |
Pubchem |
|
9903535 |
No Cas |
CCOC1=C(C(=O)C2=C(C1=O)C3=CN=C(N3C=C2)C)C |
WTVDYUNSMHFLEA-UHFFFAOYSA-N |
270.10000 |
C15H14N2O3 |
0.2263 |
5 |
0 |
61.19 |
5.0 |
20 |
3 |
Total synthesis of cribrostatin 6. |
|
| Eleutheroside B |
bioactive compound |
Kalopanax pictus |
Gen=Immunology & Inflammation related |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
|
5316860 |
118-34-3 |
COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CCO |
QJVXKWHHAMZTBY-UHFFFAOYSA-N |
372.37000 |
C17H24O9 |
-0.512 |
4 |
5 |
138.00 |
7.0 |
26 |
|
Eleutheroside B (syringin) is a phenylpropanoid glycoside first isolated from A. senticosus and has neuroprotective, tonic, adaptogenic, and immune-modulating properties. |
syringin, Syringoside, Lilacin |
| Cordycepin |
bioactive compound |
Cordyceps sinensis|Cordyceps militaris|cordyceps militaris bcc 2816|Ophiocordyceps sinensis |
Path=MMP9 pathway|JUND pathway|NFKB1 pathway|TNF pathway|AKT1 pathway|MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|NFKBIA pathway|Gen=Others|Mitochondrial import inner membrane translocase subunit TIM23 - Saccharomyces cerevisiae S288c | ATP-dependent molecular chaperone HSP82 - Candida albicans (strain WO-1) (Yeast) | Adenosine A1 receptor - Rattus norvegicus | Hepatitis C virus NS5B RNA-dependent RNA polymerase - Hepatitis C virus |Org= Human immunodeficiency virus 1 | Trypanosoma brucei | Trypanosoma brucei brucei | Vaccinia virus | Trypanosoma cruzi | Plasmodium falciparum (isolate K1 / Thailand) | Human herpesvirus 1 | Leishmania donovani | Hepatitis C virus | Trichomonas vaginalis |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Bladder Cancer|Bladder carcinoma|Transitional Cell Carcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Murine BV2 microglia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Melanoma|Murine Melanoma|Gen=Others |
3D viewer |
Pubchem |
5M5K 6F3P 3B4C 3B4B |
6303 |
73-03-0 |
C1C(OC(C1O)N2C=NC3=C2N=CN=C3N)CO |
QLEOCAHPCDUGFN-UHFFFAOYSA-N |
251.24000 |
C10H13N5O3 |
-1.308 |
4 |
3 |
119.00 |
2.0 |
18 |
3 |
Cordycepin is an adenosine analogue, which is readily phosphorylated to its mono-, di-, and triphosphate intracellularly. It has a very potent anti-cancer, anti-oxidant and anti-inflammatory activities. |
N/A |
| Ineleganene |
natural product |
Sinularia inelegans |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
10754687 |
No Cas |
CC(=C)CCC=C(C)C1CCC(C(C1)C(=C)C)(C)C=C |
DAGCNSBIYQRVRH-XEHYYXMLSA-N |
272.25000 |
C20H32 |
4.4631 |
0 |
0 |
0.00 |
10.0 |
20 |
1 |
|
|
| Silibinin |
natural product |
Silybum marianum|Lycium chinense|Anastatica hierochuntica |
Path=ERBB2 pathway|TP53 pathway|MYC pathway|SLC2A4 pathway|AKT1 pathway|TBC1D4 pathway|CASP3 pathway|LDHA pathway|PSA pathway|N/A|BCL2L1 pathway|MAPK14 pathway|MMP9 pathway|JUN pathway|MAP2K1 pathway|MAPK1 pathway|MAPK3 pathway|MAPK8 pathway|RAF1 pathway|CYCS pathway|EGFR pathway|IGF1R pathway|PTK2 pathway|VEGFA pathway|BID pathway|BIRC5 pathway|CASP8 pathway|CASP9 pathway|CFLAR pathway|TNFRSF10C pathway|DDIT3 pathway|TNFRSF10B pathway|FOS pathway|JUND pathway|MAPK9 pathway|MMP2 pathway|NFKB1 pathway|NFKB2 pathway|PLAU pathway|EIF4G1 pathway|HIF1A pathway|MTOR pathway|RPS6 pathway|RPS6KB2 pathway|STAT3 pathway|SPDEF pathway|CCND1 pathway|MCL1 pathway|EIF2A pathway|PARP1 pathway|Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | DNA polymerase iota - Homo sapiens | DNA polymerase eta - Homo sapiens | Large T antigen - Simian virus 40 | Geminin - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus |Org= Plasmodium falciparum|Tyrosinase - Agaricus bisporus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens |Org= Hepatitis C virus|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus | Tyrosinase - Agaricus bisporus | Cytochrome P450 3A4 - Homo sapiens | Sphingomyelin phosphodiesterase - Homo sapiens | Carbonic anhydrase IX - Homo sapiens | Androgen Receptor - Homo sapiens | Carbonic anhydrase XIV - Homo sapiens | Xanthine dehydrogenase - Bos taurus | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Hypoxia-inducible factor 1 alpha - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Canalicular multispecific organic anion transporter 1 - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Carbonic anhydrase I - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Prelamin-A/C - Homo sapiens | Thrombin - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Microtubule-associated protein tau - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Carbonic anhydrase II - Homo sapiens | Thyroid stimulating hormone receptor - Homo sapiens | Cruzipain - Trypanosoma cruzi | Multidrug resistance-associated protein 1 - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Lysosomal alpha-glucosidase - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Carbonic anhydrase VA - Homo sapiens | Xanthine dehydrogenase - Homo sapiens | Carbonic anhydrase VB - Homo sapiens | Carbonic anhydrase VII - Homo sapiens | Carbonic anhydrase XIII - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | Carbonic anhydrase III - Homo sapiens | Carbonic anhydrase 15 - Mus musculus | Interleukin-8 - Homo sapiens | P-glycoprotein 3 - Mus musculus | Nuclear receptor subfamily 1 group I member 2 - Rattus norvegicus | Xanthine dehydrogenase/oxidase - Rattus norvegicus | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | Carbonic anhydrase IV - Homo sapiens | Carbonic anhydrase XII - Homo sapiens | Carbonic anhydrase VI - Homo sapiens |Org= Mus musculus | Staphylococcus aureus | Pseudomonas aeruginosa | Plasmodium falciparum | Proteus mirabilis |
Dis=Breast Cancer|Breast Adenocarcinoma|Ductal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Central Nervous System Cancers|Glioblastoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
5213 |
No Cas |
COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O |
SEBFKMXJBCUCAI-UHFFFAOYSA-N |
482.12000 |
C25H22O10 |
-3.3761 |
3 |
5 |
155.14 |
10.0 |
35 |
5 |
[Silymarin in pregnancy and during hormonal contraceptive treatment. Blood chemistry and ultrastructural findings in the experimental model].|[Silymarin for the treatment of acute viral hepatitis? Report of a controlled trial (author's transl)].|[Silymarin--an inhibitor of horseradish peroxidase (author's transl)].|Influence of silymarin on drug metabolizing enzymes in rat and man.|[A novel model of experimental toxic hepatitis/acute degenerative hepatitis induced by frog virus 3 (FV3) in the mouse (author's transl)].|[Controlled study of the effect of silymarin on alcoholic liver disease]. |
SILYMARIN|Legalon|Silibin|Silimarin|Silybin (7CI)|3,5,7-trihydroxy-2-(3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydrobenzob1,4dioxin-6-yl)chroman-4-one|3,5,7-trihydroxy-2-3-(4-hydroxy-3-methoxy-phenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-ylchroman-4-one|3,5,7-trihydroxy-2-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl-2,3-dihydro-4H-chromen-4-one|SMR000058272|SR-01000000093|Silmyarin|Silibinin, INN|Silymarin,(S)|Silybum substance E6|AC1L1JUL|MLS000028529|MLS006011786|SCHEMBL678427|CHEMBL1401508|CTK8A3499|CHEBI:125451|MolPort-001-913-435|SEBFKMXJBCUCAI-UHFFFAOYSA-N|HMS1608M08|HMS2232P05|HMS3372B20|HMS3373N17|HMS3656K09|BBL027841|BDBM50218276|CS0055|STK396325|AKOS000546856|AKOS021984433|MCULE-7201821938|NCGC00018179-02|NCGC00018179-03|NCGC00018179-04|NCGC00089738-02|NCGC00089738-03|AN-38581|BAS 00015476|C07610|SR-01000000093-5|SR-01000000093-6|SR-01000000093-7|SR-01000000093-8|SR-01000000093-9|(2R,3R)-3,5,7-trihydroxy-2-(2R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl-2,3-dihydrochromen-4-one|2-2,3-Dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl-3,5,7-trihydroxy-2,3-dihydro-4H-1-benzopyran-4-one|3,5,7-trihydroxy-2-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl-2,3-dihydrochromen-4-one| |
| Acerogenin B |
natural product |
Acer nikoense|Acer maximowiczianum |
Sodium/glucose cotransporter 2 - Homo sapiens | Sodium/glucose cotransporter 1 - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia |
3D viewer |
Pubchem |
|
10913542 |
No Cas |
C1CCC2=CC=C(C=C2)OC3=C(C=CC(=C3)CCC(C1)O)O |
BDTAPCJUUZRFKY-INIZCTEOSA-N |
298.16000 |
C19H22O3 |
-2.1523 |
1 |
2 |
49.69 |
2.0 |
22 |
2 |
|
|
| Sophocarpine |
natural product |
Sophora flavescens|Sophora tonkinensis|Baccharis neglecta|Embelia parviflora|Erysimum leptophyllum|Euphorbia nematocypha|Pancratium sickenbergeri|Lythrum salicaria|Haplophyllum obtusifolium|Dendronephthya griffini|Conus mus|Clerodendrum bungei|Latrunculia magnifica|Esenbeckia leiocarpa|Planchonia grandis|Lycogala epidendrum|Embelia schimperi|Plathymenia reticulata|Asimina parviflora|Fructussophorae|Syzygium polycephaloides|Faramea salicifolia|Sophorae tonkinensis radix et rhizome|Piper regnellii|Eria anomala|Sophorae flavescentis radix|Rhinella marina|Tricholoma columbetta|Simarouba glauca|Diospyros assimilis|Pteridium esculentum|Dolabella californica|Vellozia nanuzae|Morella rubra|Abelia chinensis|Chondrodendron tomentosum|Ephedra sinica|Monsonia senegalensis|Centaurea maculosa|Hypericum styphelioides|Helichrysum tenuifolium|Onopordum acanthium|Vernonia fagifolia|Shigella dysenteriae|Atraphaxis spinosa|Lemaireocereus longispinus|Myxococcus stipitatus|Cordia leucocephala|Theonella conica|Epilobium hirsutum|Siphonaria capensis|Erythrina melanacantha|Aplophyllum alberti-regelii|Gymnocalycium schickendantzii |
Gen=Others |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Esophageal and Esophagogastric Junction Cancers|Esophageal squamous cell carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
115269 |
145572-44-7 |
C1CC2CN3C(CC=CC3=O)C4C2N(C1)CCC4 |
AAGFPTSOPGCENQ-JLNYLFASSA-N |
246.17000 |
C15H22N2O |
-0.7479 |
3 |
0 |
23.55 |
0.0 |
18 |
4 |
Sophocarpine and matrine inhibit the production of TNF-alpha and IL-6 in murine macrophages and prevent cachexia-related symptoms induced by colon26 adenocarcinoma in mice.|Synthesis and in vitro inhibitory activity of matrine derivatives towards pro-inflammatory cytokines.|Sophocarpine alleviates non-alcoholic steatohepatitis in rats.|Design and synthesis of oxymatrine analogues overcoming drug resistance in hepatitis B virus through targeting host heat stress cognate 70.|Sophocarpine attenuates toll-like receptor 4 in steatotic hepatocytes to suppress pro-inflammatory cytokines synthesis.|Quinolizidine alkaloids reduced mortality in EV71-infected mice by compensating for the levels of T cells. |
Sophocarpine|6483-15-4|13,14-Didehydromatridin-15-one|145572-44-7|(-)-Sophocarpine|Sophocarpine Monohydrate|Matridin-15-one, 13,14-didehydro-|C15H22N2O|1H,5H,10H-Dipyrido(2,1-f:3',2',1'-ij)(1,6)naphthyridin-10-one, 2,3,6,7,7a,8,13,13a,13b,13c-decahydro-, (7aS,13aR,13bR,13cS)-|AC1L3GUH|13,14-Didehydromatrine|MLS006011788|CHEMBL377725|DTXSID90215126|78003-71-1 (hydrobromide)|AAGFPTSOPGCENQ-JLNYLFASSA-N|MolPort-002-507-290|ZINC3881784|BBL029727|s2405|STK801894|RL01831|NCGC00160217-01|NCGC00160217-02|NCGC00160217-03|AJ-46651|AN-31371|NCGC00160217-01!SOPHOCARPINE|SMR004703481|LS-145656|N1736|O0505|ST24034751|ST24049295|V1581|Matridin-15-one, 13,14-didehydro- (9CI)|13,14-Didehydromatridin-15-one; sophocarpine|572S447|I07-0156|J-504147|Q-100741|I14-45273|6483-15-4,33823-32-4(HCl)|(1R,2R,9S,17S)-7,13-diazatetracyclo7.7.1.0^{2,7}.0^{13,17}heptadec-4-en-6-one|(-)-(7aS,13aR,13bR,13cS)-2,3,6,7,7a,8,13,13a,13b,13c-Decahydro-1H,5H,10H-dipyrido2,1-f:3,2,1-ij1,6naphthyridin-10-one|(41S,7aS,13aR,13bR)-2,3,41,6,7,7a,8,13,13a,13b-Decahydro-1H,5H,10H-dipyrido2,1-f| |
| Malvidin |
natural product |
Vaccinium myrtillus|Syzygium jambos|Medicago sativa|Thalictrum filamentosum|Crescentia cujete|Fomitopsis insularis|Impatiens balsamina|Liquor jiu|Betula ermanii|Lotus polyphyllos|Fusarium oxysporum|Cichorium glandulosum|Cichorium intybus|Liquor jiu liquor. |
Lymphocyte differentiation antigen CD38 - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia |
3D viewer |
Pubchem |
|
159287 |
10463-84-0 |
COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O |
KZMACGJDUUWFCH-UHFFFAOYSA-O |
332.09000 |
C17H14O7 |
-1.9448 |
1 |
5 |
99.38 |
9.0 |
24 |
3 |
Inhibitory effects of anthocyanins and other phenolic compounds on nitric oxide production in LPS/IFN-gamma-activated RAW 264.7 macrophages.|Synergistic antioxidant effect of catechin and malvidin 3-glucoside on free radical-initiated peroxidation of linoleic acid in micelles.|Antioxidant activity of anthocyanins and their aglycons.|Inhibition of proliferation of human cancer cells and cyclooxygenase enzymes by anthocyanidins and catechins.|Cyanidin and Malvidin from Oryza sativa cv. Heugjinjubyeo mediate cytotoxicity against human monocytic leukemia cells by arrest of G(2)/M phase and induction of apoptosis.|The substitution pattern of anthocyanidins affects different cellular signaling cascades regulating cell proliferation. |
Malvidin|10463-84-0|BRN 1691742|CHEBI:6674|3',5'-Dimethoxy-3,4',5,7-tetrahydroxyflavylium acid anion|Benzopyrylium, 3 5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, acid anion|Flavylium, 3,4',5,7-tetrahydroxy-3',5'-dimethoxy-, acid anion|Benzopyrylium, 3 5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-|.malvidin|AC1L4LKR|SCHEMBL21739|643-84-5 (chloride)|CHEMBL255753|DTXSID30146622|BDBM50347138|LMPK12010004|LS-69066|ZB015148|C08716|3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium|3 4' 5 7-tetrahydroxy-3' 5'-dimethoxyflavylium chloride|2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3,5,7-triol|17866-69-2| |
| Amphimedoside A |
natural product |
Amphidinium sp |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
16091663 |
No Cas |
CON(CCCCCCCCCCC#CCCCCC1=CN=CC=C1)C2C(C(C(C(O2)CO)O)O)O |
AKXRKGGBNUIIRB-RKFAPSRVSA-N |
506.34000 |
C28H46N2O6 |
-4.1825 |
6 |
4 |
115.51 |
22.0 |
36 |
2 |
|
|
| Dehydroabietic Acid |
natural product |
Pistacia lentiscus|Pinus spez|calceolaria pinifolia|Uvaria microcarpa|Wrightia tinctoria|Bowdichia virgilioides|Polyachyrus sphaerocephalus|Pseudoplexaura flagellosa|Maprounea guianensis|Pholas dactylus|Centaurea cheiranthifolia|Cortinarius odoratus|Cousinia canescens|Ougeinia dalbergioides|Acacia simplicifolia|Scytalidium uredinicola|Cassinia subtropica|Athrixia elata|Pinus pumila|Suillus granulatus|Xylaria hypoxylon|Erythrina burttii|Syzygium cumini|Viguiera decurrens|Salvia dichroa|Erodendrum neriifolium|Piper callosum|Melolontha melolontha|Armina maculata|Poterium sanguisorba|Pelargonium x hortorum|Peritassa campestris|Titanotrichum oldhamii|Tetradenia glauca|Rubus pungens|Aspergillus carneus|Tamarix gallica|Araiostegiella perdurans|Ocimum tenuiflorum|Salacia lehmbachii|Monodora tenuifolia|Homo sapiens|Artemisia argyi|Sideritis brevibracteata|Kokoona ochracea|Kokoona reflexa|Colchicum arenarium|Viola hondoensis|Gymnopus confluens|Aspergillus striatus|Cratoxylum pruniflorum|Waitzia acuminata|Mentha pulegium|Jacobaea argunensis|Aspergillus ruber|Pseudomonas fluorescens|Euphorbia cornigera|Nauclea parva|Gyrothyra underwoodiana|Daphnandra johnsonii|Maesa ramentacea|Ceratiomyxa fruticulosa|Euonymus tingens|Dianella revoluta|Lepechinia caulescens|Centaurea zuccariniana|Aldisa sanguinea|Siphula roccellaeformis|Marasmius graminum|picea glehni|Tinospora hainanensis|Pinus strobus|Cladanthus arabicus|Pinus luchuensis|Mikania grazielae|Persea obovatifolia|Aonidiella aurantii|Abies georgei|Adina trichotoma|Afraegle paniculata|Liquidambar formosana|Anguilla japonica|Lamprolobium fruticosum|Millettia laurentii|Aethalium septicum|Hippeastrum aulicum|Alcea rosea|Astragalus glycyphyllos|Russula queletii|Pinus sylvestris|Veronica anagallis|Asparagus racemosus|Eleutherobia albiflora|Balanops australiana|Pluchea odorata|Botryotrichum murorum|Firmiana simplex|Pinna muricata|Brucea antidysenterica|Squamopappus skutchii|Alcyonium utinomii|Hylocomium splendens|Macrolepiota neomastoidea|Teucrium scorodonia|Sideritis lanata|Umbilicaria pustulata|Pittocaulon bombycophole|Nototodarus sloanii|Sideroxylon cubense|Phagnalon atlanticum|Aplysina archeri|Eucalyptus jenseni|Hardwickia pinnata|Penicillium janczewskii|Salvia yosgadensis|Cortinellus berkeleyanus|Alpinia blepharocalyx|Corynebacterium glutamicum|Pseudotsuga sinensis var. wilsoniana|Bonnemaisonia asparagoides|Laggera aurita |
Path=CASP3 pathway|CASP8 pathway|Org=Trypanosoma cruzi | Escherichia coli | Staphylococcus aureus | Trametes versicolor | Bacillus subtilis | Aspergillus terreus | Gloeophyllum trabeum | Leishmania donovani |
Dis=Non-Hodgkin's Lymphomas|Lymphoblastic Leukemia|Non-Melanoma Skin Cancers|Skin Carcinoma|Org=Trypanosoma cruzi | Escherichia coli | Staphylococcus aureus | Trametes versicolor | Bacillus subtilis | Aspergillus terreus | Gloeophyllum trabeum | Leishmania donovani |
3D viewer |
Pubchem |
|
94391 |
1740-19-8 |
CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)O)C |
NFWKVWVWBFBAOV-MISYRCLQSA-N |
300.21000 |
C20H28O2 |
0.9014 |
2 |
1 |
37.30 |
7.0 |
22 |
3 |
Seasonal changes in certain metabolic and haematologic responses of Salmo gairdneri acutely exposed to dehydroabietic acid (DHAA).|A method for 2D crystallization of soluble proteins at liquid-liquid interface.|Potential antitumor-promoting diterpenes from the cones of Pinus luchuensis.|Characterization of DitA3, the [Fe3S4] ferredoxin of an aromatic ring-hydroxylating dioxygenase from a diterpenoid-degrading microorganism.|Distinct roles for two CYP226 family cytochromes P450 in abietane diterpenoid catabolism by Burkholderia xenovorans LB400.|Dehydroabietic acid, a phytochemical, acts as ligand for PPARs in macrophages and adipocytes to regulate inflammation. |
DEHYDROABIETIC ACID|(+)-Dehydroabietic acid|Dehydroabietate|Abieta-8,11,13-trien-18-oic acid|1740-19-8|Abietic acid, dehydro-|(-)-Dehydroabietic acid|13-Isopropylpodocarpa-8,11,13-trien-15-oic acid|UNII-0S5XP6S3AU|NSC 2952|CHEBI:29571|EINECS 217-102-8|BRN 2059290|0S5XP6S3AU|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-|NSC2952|Podocarpa-8,11,13-trien-15-oic acid, 13-isopropyl-|abieta-8(14),9(11),12-trien-18-oic acid|Isopropyl podocarpa-8,11,13-trien-15-oic acid|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,4abeta,10aalpha))-|(1R-(1alpha,4Abeta,10aalpha))-1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylic acid|PubChem10667|RESIGRAL 52|AC1L3S4I|AC1Q5QZ0|4-09-00-02389 (Beilstein Handbook Reference)|CHEMBL12850|SCHEMBL222078|DTXSID8022163|MolPort-006-147-726|NFWKVWVWBFBAOV-MISYRCLQSA-N|Abieta-8,13-trien-18-oic acid|NSC-2952|ZINC4023706|BDBM50143600|CD-957|AKOS015917291|LMPR0104050005|LS-117899|Dehydroabietic acid, >=95% (LC/MS-ELSD)|FT-0633812|ST24033598|13-Isopropylpodocarpa-8,13-trien-15-oic acid|C12078|I14-9701|Podocarpa-8,13-trien-15-oic acid, 13-isopropyl-|W-107855|(1R,4aS,10aR)-1,2,3,4,4a,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic Acid|(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid|1R-(1|A,4a|A,10a|A)-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-Phenanthrenecarboxylic Acid|1,2,3,4,4a,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acid|1,3,4,4a,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acid|1-Phenanthrenecarboxylic acid,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1R-(1.alpha.,4a.beta.,10a.alpha.)-|135577-73-0|2501-27-1|InChI=1/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s| |
| n.a. |
natural product |
Artemisia annua|Artemisia apiacea |
Path=KDR pathway|VEGFA pathway|Gen=STAT|antiparasitic|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus |Org= Plasmodium berghei | Plasmodium falciparum | Plasmodium falciparum (isolate K1 / Thailand) | Plasmodium falciparum NF54 | Plasmodium vinckei petteri | Toxoplasma gondii RH | Plasmodium vivax | Plasmodium falciparum 3D7 | Trypanosoma brucei brucei | Plasmodium malariae | Plasmodium yoelii nigeriensis | Plasmodium yoelii | Fasciola hepatica | Human herpesvirus 5 strain AD169 | Schistosoma mansoni | Echinococcus multilocularis | Schistosoma japonicum|Geminin - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Huntingtin - Homo sapiens |Org= Plasmodium falciparum | Trypanosoma brucei rhodesiense | Leishmania donovani | Trypanosoma cruzi |
Dis=Acute Myeloid Leukemia|Acute Myeloid Leukemia|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Ovarian Cancer|Epithelial Ovarian Cancer |Uterine Neoplasms|Choriocarcinoma|Gen=JAK/STAT |
3D viewer |
Pubchem |
|
156252 |
88495-63-0 |
CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC(=O)CCC(=O)O)C |
FIHJKUPKCHIPAT-HXMLZIBGSA-N |
384.18000 |
C19H28O8 |
0.4477 |
8 |
1 |
100.52 |
9.0 |
27 |
3 |
Decreased sensitivity of artesunate and chloroquine of Plasmodium falciparum infecting hemoglobin H and/or hemoglobin constant spring erythrocytes.|Antimalarial agents, 2. Artesunate, an inhibitor of cytochrome oxidase activity in Plasmodium berghei.|Efficacy and tolerability of a sequential, artesunate suppository plus mefloquine, treatment of severe falciparum malaria.|Serum concentrations of MIP-1 alpha and interleukin-8 in patients suffering from acute Plasmodium falciparum malaria.|Effects of qinghaosu (artemisinin) and its derivatives on experimental cutaneous leishmaniasis.|Artesunate. A review of its pharmacology and therapeutic efficacy in the treatment of malaria. |
Artesunate|88495-63-0|Artesunate,(S)|AC1L4FU0|CHEMBL3039774|SCHEMBL19213012|MolPort-006-069-124|s2265|ZINC100012297|4-oxo-4-{(1S,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo10.3.1.0^{4,13}.0^{8,13}hexadecan-10-yloxy}butanoic acid |
| Halocynthiaxanthin |
natural product |
Halocynthia roretzi|Cupressus lawsoniana|Euphorbia marginata|Jungermannia hyalina|Cissus pallidiflorus|Marrubium alysson|Astragalus tragacantha|Pausinystalia mayumbensis|Baphia nitida|Gardenia collinsae|Alstroemeria revoluta|Encephalartos altensteinii|Prangos pabularia|Ligularia muliensis|Shuteria involucrata var. vestita|Achillea macrophylla|Stevia chamaedrys|Xenorhabdus bovienii|Excoecaria oppositifolia|Nuphar lutea|Simaba multiflora|Litsea aciculata|Acherontia atropus|Gymnosporia senegalensis|Kobresia nepalensis|Sinocalamus affinis|Perilla frutescens var. arguta|Crataegus davisii|Selliguea feei|Emilia sonchifolia|Ursinia abrotanifolia|Guanomyces polythrix|Myrmica sabuleti|Teucrium oxylepis|Ajuga spectabilis|Euphorbia kamerunica|Pronephrium triphyllum|Mytilus edulis|Callistemon viminalis|Eupatorium havanense|Penicillium olsonii|Litsea pulchella|Crinum erubescens|Ircinia oros|Pentzia incana|Grindelia acutifolia|Trifolium subterraneum|Eria foetida|Melampodium heterophyllum|Agave aurea|Trillium camschatcense |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia |
3D viewer |
Pubchem |
|
11966451 |
81306-52-7 |
CC1=C(C(CC(C1)O)(C)C)C#CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C(=O)CC23C(CC(CC2(O3)C)O)(C)C)C)C |
CNOIXMULOQWVGR-ABUIXNMTSA-N |
598.40000 |
C40H54O4 |
7.1056 |
4 |
2 |
70.06 |
21.0 |
44 |
3 |
The carotenoid halocynthiaxanthin: a novel inhibitor of the reverse transcriptases of human immunodeficiency viruses type 1 and type 2.|Anti-neoplastic effect of halocynthiaxanthin, a metabolite of fucoxanthin.|Mechanistic evaluation of new plant-derived compounds that inhibit HIV-1 reverse transcriptase.|Radical scavenging and singlet oxygen quenching activity of marine carotenoid fucoxanthin and its metabolites. |
|
| Paclitaxel |
bioactive compound |
Phyllosticta tabernaemontanae|Stephania japonica|Dioscorea collettii|Dioscorea futschauensis|Dioscorea nipponica|Dioscorea collettii var. hypoglauca|Cocculus trilobus|Dioscorea zingiberensis|Dioscorea althaeoides|Taxus brevifolia|Stephania hernandifolia|Dioscorea hypoglauca|Torreya grandis| |
Gen=Autophagy,Microtubule Associated|anticancer||Cholinesterase - Equus caballus | Tubulin alpha chain - Sus scrofa | Receptor protein-tyrosine kinase erbB-2 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | Nonstructural protein 1 - Influenza A virus | Cholecystokinin A receptor - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Cytochrome P450 3A4 - Homo sapiens | Cruzipain - Trypanosoma cruzi | Serine/threonine-protein kinase mTOR - Homo sapiens | Glucocorticoid receptor - Homo sapiens | Delta opioid receptor - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Androgen Receptor - Homo sapiens | Melanocortin receptor 5 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Geminin - Homo sapiens | Vitamin D receptor - Homo sapiens | Bloom syndrome protein - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Neurokinin 2 receptor - Homo sapiens | Multidrug resistance-associated protein 7 - Homo sapiens | Prelamin-A/C - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Tyrosine-protein kinase FYN - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | P-glycoprotein 1 - Homo sapiens | Bile salt export pump - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Ataxin-2 - Homo sapiens | Cytochrome P450 1A2 - Homo sapiens | Niemann-Pick C1 protein - Homo sapiens | Regulator of G-protein signaling 4 - Homo sapiens | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 2 - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Peripheral myelin protein 22 - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Botulinum neurotoxin type A - Clostridium botulinum | Alpha-synuclein - Homo sapiens | Solute carrier family 22 member 1 - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Ras-related protein Rab-9A - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens |Org= Oryctolagus cuniculus | Plasmodium falciparum | Artemia | Sus scrofa |
Dis=acute myeloid leukemia|human leukemia|Breast Cancer|Breast Carcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Gen=Cytoskeletal Signaling |
3D viewer |
Pubchem |
5HNW 5HNX 5HNZ 6B0C |
36314 |
33069-62-4 |
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C |
RCINICONZNJXQF-MZXODVADSA-N |
853.91000 |
C47H51NO14 |
3.055 |
11 |
3 |
221.00 |
14.0 |
62 |
7 |
Paclitaxel is a microtubule polymer stabilizer with IC50 of 0.1 pM in human endothelial cells. |
NSC 125973 |
| Asarinin |
natural product |
Zanthoxylum americanum|Sesamum indicum|Asiasarum heterotropoides|Opisthoplatia orientalis|Myrrha|Zanthoxylum nitidum|Eleutherococcus gracilistylus|Acanthopanax sessiliflorum|Asarum heterotropoides|Asarum sieboldii|Asiasarum sieboldii|Lophocolea bidentata|Lindera obtusiloba|Asarum heterotropoides var. mandshuricum|Flaveria bidentis|Psilocybe mexicana|Podadenia thwaitesii|Uvaria ferruginea|Bunodactis xanthogrammica|Cnidoscolus texanus|Veronica anagallis-aquatica|Daphne kiusiana|Dryobalanops camphora|Euglena sanguinea|Lindera praecox|Kryptoperidinium foliaceum|Trichilia dregeana|Teucrium fragile|Hymenaea oblongifolia|Lespedeza cyrtobotrya|Sansevieria ehrenbergii|Ptelea crenulata|Diospyros montana |
Path=AKT1 pathway|HIF1A pathway|IL6 pathway|IL8 pathway|MAPK14 pathway|MMP9 pathway|NFKB1 pathway|TNF pathway|VEGFA pathway|TFF1 pathway|BCL2 pathway|BIRC5 pathway|CCND1 pathway|ICAM1 pathway|NFKB2 pathway|NFKBIA pathway|RELA pathway|PTGS2 pathway|Gen=Others|Chromobox protein homolog 1 - Homo sapiens | TAR DNA-binding protein 43 - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Glucagon-like peptide 1 receptor - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | DNA polymerase iota - Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens|Glucagon-like peptide 1 receptor - Homo sapiens | Geminin - Homo sapiens | Parathyroid hormone receptor - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens|Cytochrome P450 2C9 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Cytochrome P450 2D6 - Homo sapiens | Cytochrome P450 2C19 - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Multiple Myeloma|Plasmacytoma|Multiple Myeloma |Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Lung Epithelial Carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|prostate Carcinoma|mouse tumor model|mouse skin and pulmonary tumor|Gen=Others |
3D viewer |
Pubchem |
234D 235D 215D 2DES |
101612 |
133-05-1 |
C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6 |
PEYUIKBAABKQKQ-WZBLMQSHSA-N |
354.11000 |
C20H18O6 |
-1.6034 |
2 |
0 |
55.38 |
2.0 |
26 |
6 |
Microsphere-based protease assays and screening application for lethal factor and factor Xa.|High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.|Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.|Involvement of heme oxygenase-1 induction via Nrf2/ARE activation in protection against H2O2-induced PC12 cell death by a metabolite of sesamin contained in sesame seeds.|Structure-based identification of OATP1B1/3 inhibitors.|A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway. |
Asarinin|l-asarinin|133-05-1|Episesamin|UNII-C3RVX72NMG|C3RVX72NMG|ASARININ (-)|133-03-9|1-Asarinine|(+)-Episesamin|(-)-Episesamin|NSC 31773|Asarinin, (+)-|Spectrum_001556|SpecPlus_000958|AI3-00810|AI3-21202|Spectrum2_000811|Spectrum3_001162|Spectrum4_001725|Spectrum5_000490|AI 3-21202|AC1L2R6W|BSPBio_002743|KBioGR_002110|KBioSS_002036|MLS002473313|CHEMBL43469|DivK1c_007054|SCHEMBL976772|SPECTRUM1504180|SPBio_000701|AC1Q712K|MEGxp0_001224|ACon1_000986|KBio1_001998|KBio2_002036|KBio2_004604|KBio2_007172|KBio3_002243|MolPort-001-741-450|HMS2223C09|TNP00112|BDBM50101976|CCG-39667|ZINC18037965|(-)-Asarinin, >=98% (HPLC)|MCULE-1056958472|SDCCGMLS-0066831.P001|1,3-Benzodioxole, 5,5'-(tetrahydro-1H,3H-furo(3,4-c)furan-1,4-diyl)bis-, (+)-|NCGC00017230-01|NCGC00169785-01|NCGC00169785-02|SMR001397394|UNII-F6PWY73ZGT component PEYUIKBAABKQKQ-WZBLMQSHSA-N|(1R,3aR,4S,6aR)-1,4-bis(benzod1,3dioxol-5-yl)hexahydrofuro3,4-cfuran|(1R,3aR,4S,6aR)-1,4-di(benzod1,3dioxol-5-yl)hexahydrofuro3,4-cfuran|1,3-Benzodioxole, 5,5'-(tetrahydro-1H,3H-furo(3,4-c)furan-1,4-diyl)bis-, (1alpha,3a alpha,4beta,6a alpha)-|5-(3R,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro3,4-cfuran-6-yl-1,3-benzodioxole|5-(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro3,4-cfuran-6-yl-1,3-benzodioxole|NCGC00169785-04!5-(3R,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro3,4-cfuran-6-yl-1,3-benzodioxole| |
| Carvacrol |
bioactive compound |
Satureja hortensis |
Gen=Others |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Gen=Others |
3D viewer |
Pubchem |
|
10364 |
499-75-2 |
CC1=C(C=C(C=C1)C(C)C)O |
RECUKUPTGUEGMW-UHFFFAOYSA-N |
150.22000 |
C10H14O |
3.268 |
0 |
1 |
20.20 |
1.0 |
11 |
|
Carvacrol, monoterpenic phenol isomeric with thymol, has diverse activities such as antimicrobial, antitumor, an-timutagenic, antigenotoxic, analgesic, antispasmodic, anti-inflammatory, angiogenic, antiparasitic, antiplatelet, AChE inhibitory, antielastase, insecticidal, antihepatotoxic and hepatoprotective activities. |
cymophenol |
| Quercetin |
bioactive compound |
Allium cepa|Diospyros lotus|Vaccinium macrocarpon|Ginkgo biloba|Aspergillus niger|Ardisia japonica|Draba nemorosa|Rabdosia japonica|Alnus sieboldiana|Hypericum perforatum| |
Path=CD19 pathway|CASP3 pathway|MAPK14 pathway|PTGS1 pathway|PTGS2 pathway|TNF pathway|CYP1A1 pathway|CYP1B1 pathway|Gen=Src,Sirtuin,PKC,PI3K |
Dis=Acute Lymphoblastic Leukemia|B-cell lymphoma|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|epidermal carcinoma of cervix|Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|Oral Squamous Cell Carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Kidney Cancer|Renal Cell Adenocarcinoma|Melanoma|Amelanotic melanoma|malignant melanoma|Murine Melanoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Prostate Cancer|prostate Carcinoma|Prostate Adenocarcinoma|Gen=Epigenetics |
3D viewer |
Pubchem |
3BPT 2HCK 4LMU 3LJ0 |
5280343 |
117-39-5 |
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O |
REFJWTPEDVJJIY-UHFFFAOYSA-N |
302.24000 |
C15H10O7 |
1.63 |
2 |
5 |
127.00 |
1.0 |
22 |
|
Quercetin, a natural flavonoid present in vegetables, fruit and wine, is a stimulator of recombinant SIRT1 and also a PI3K inhibitor with IC50 of 2.4-5.4 ?M. Phase 4. |
Sophoretin |
| Epi-Oleanolic Acid |
natural product |
Plantago major|Viburnum awabuki|Prunus dulcis|Olea europaea|Pygeum africanum|Radermachera boniana|calceolaria pinifolia|Prunella vulgaris|Diospyros kaki|Ligustrum lucidum|Campsis grandiflora|Punica granatum|Lycopus lucidus|Eriobotrya japonica|Rubus chingii|Rubia cordifolia|Foeniculum vulgare|Pogostemon cablin|junellia tridens|Platycodon grandiflorum|Erythrina variegate|Celaenodendron mexicanum|Polygonum aviculare|Passalora fulva|Kochia scoparia|Valeriana microphylla|Forsythia suspense|Caloplaca murorum|Ardisia japonica|Aglaia forbesii|Salvia miltiorrhiza|Verbenae herb|Dendrobates truncatus|Perilla frutescens|Gardeniae fructus|Quercus canariensis|Plantago depressa|Viscum album|Streptomyces coeruleorubidus|Paeonia lactiflora|Viscum coloratum|Coprinellus heptemerus|Eurybia divaricata|Hydnocarpus hainanensis|Pinus longifolia|Ectatosoma tiaratum|Ardisiae japonicae herba|Sciadotenia toxifera|Hedyotis diffusae herba|Plantaginis semen|Soulamea pancheri|Radix clematidis|Dendrobium chrysotoxum|Styrax|Liquidambar orientalis|Achyranthes bidentata|Oldenlandia diffusa |
Path=AR pathway|Beta-lactamase AmpC - Escherichia coli K-12 | Streptokinase A - Streptococcus pyogenes serotype M1 | Rap guanine nucleotide exchange factor 4 - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | DNA polymerase beta - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus |Org= Plasmodium falciparum | Streptococcus | Streptococcus sp. 'group A'|Glycogen phosphorylase, muscle form - Oryctolagus cuniculus | Protein-tyrosine phosphatase 1B - Homo sapiens | T-cell protein-tyrosine phosphatase - Homo sapiens |Org= Staphylococcus aureus | Mycobacterium tuberculosis | Mycobacterium tuberculosis H37Rv | Plasmodium falciparum | Bacillus subtilis |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|Gen=Microbiology |
3D viewer |
Pubchem |
|
11869658 |
25499-90-5 |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C |
MIJYXULNPSFWEK-KDQGZELNSA-N |
456.36000 |
C30H48O3 |
2.1298 |
3 |
2 |
57.53 |
10.0 |
33 |
5 |
Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies.|Oleanolic acid and its derivatives: new inhibitor of protein tyrosine phosphatase 1B with cellular activities.|Antimalarials from nature.|Identification of pentacyclic triterpenes derivatives as potent inhibitors against glycogen phosphorylase based on 3D-QSAR studies. |
3-Epioleanolic acid|Epi-Oleanolic Acid|25499-90-5|CHEMBL486382|CHEBI:68103|(20R)-3alpha-Hydroxyolean-12-en-28-oic acid|3-Epioleanic acid|MolPort-039-338-968|ZINC3881983|BDBM50241532|3-alpha-Hydroxyolean-12-en-28-oate|LMPR0106150020|3alpha-Hydroxyolean-12-en-28-oic Acid|3-alpha-Hydroxyolean-12-en-28-oic acid|499E905|(4aS,6aS,6bR,8aR,10R,12aR,12bR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid| |
| Emodin |
bioactive compound |
Rhubarb rhabarbarum|Rheum palmatum|Ventilago madraspatana| |
Path=CCL2 pathway|N/A|ICAM1 pathway|IL6 pathway|IL8 pathway|MAPK14 pathway|NFKBIA pathway|TNF pathway|TNFRSF14 pathway|ITGB1 pathway|PTK2 pathway|PXN pathway|VCL pathway|GRB2 pathway|HIF1A pathway|MMP2 pathway|MMP7 pathway|MMP9 pathway|NFKB1 pathway|JUN pathway|PTGS2 pathway|RHOA pathway|VEGFA pathway|BCL2 pathway|BAX pathway|CASP3 pathway|CASP8 pathway|CASP9 pathway|CCNB1 pathway|AIFM1 pathway|CDKN1A pathway|CYCS pathway|DDIT3 pathway|CCNA1 pathway|CDC25C pathway|CDK1 pathway|IGFBP3 pathway|NR1H4 pathway|CDK2 pathway|CDKN1B pathway|CHEK2 pathway|CYP1A1 pathway|CYP1B1 pathway|CYR61 pathway|SERPINE1 pathway|SLC7A1 pathway|SOS1 pathway|MCL1 pathway|IL6ST pathway|MAPK9 pathway|STAT3 pathway|BIRC5 pathway|ATM pathway|TP53 pathway|Gen=Dehydrogenase |
Dis=Acute Myeloid Leukemia|Acute Monocytic Leukemia |Breast Cancer|Ductal Adenocarcinoma|Breast Carcinoma|Central Nervous System Cancers|Neuroblastoma|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Ehrlich Ascites Carcinoma (EAC)|Head and Neck Cancers|Oral Squamous Cell Carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Melanoma|malignant melanoma|Multiple Myeloma|Multiple Myeloma |Plasmacytoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Gen=Metabolism |
3D viewer |
Pubchem |
3BQC 3ED0 3PZH 3CSD |
3220 |
518-82-1 |
CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O |
RHMXXJGYXNZAPX-UHFFFAOYSA-N |
270.24000 |
C15H10O5 |
2.568 |
2 |
3 |
94.80 |
0.0 |
20 |
|
Emodin is a purgative resin, 6-methyl-1,3,8-trihydroxyanthraquinone, from rhubarb, the buckthorn and Japanese Knotweed (Fallopia japonica). |
N/A |
| Vladimuliecin A |
natural product |
Vladimiria muliensis |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Cervical Cancer|Cervical Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma |
3D viewer |
Pubchem |
|
44179106 |
No Cas |
CC(C1CCC2(C1(CCC3C2(CC(C45C3(CCC4C5)C)OC(=O)C)O)C)O)OC(=O)C |
VVZPGBWASVYVEL-FTWKXMTJSA-N |
434.27000 |
C25H38O6 |
-0.4502 |
6 |
2 |
93.06 |
12.0 |
31 |
5 |
|
|
| (-)-Centrolobol |
natural product |
Acer nikoense|Betula platyphylla |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Melanoma|malignant melanoma |
3D viewer |
Pubchem |
|
11771038 |
30359-01-4 |
C1=CC(=CC=C1CCCCC(CCC2=CC=C(C=C2)O)O)O |
UYJAYWZGEZOHRU-QGZVFWFLSA-N |
300.17000 |
C19H24O3 |
-2.4585 |
1 |
3 |
60.69 |
11.0 |
22 |
2 |
Structures of new cyclic diarylheptanoids and inhibitors of nitric oxide production from Japanese folk medicine Acer nikoense.|Inhibition of antigen-induced degranulation by aryl compounds isolated from the bark of Betula platyphylla in RBL-2H3 cells. |
|
| n.a. |
natural product |
Sophora flavescens |
Gen=AChR|Cholinesterase - Equus caballus | Neuronal acetylcholine receptor protein alpha-4 subunit - Rattus norvegicus | Neuronal acetylcholine receptor protein alpha-7 subunit - Rattus norvegicus | Acetylcholine receptor protein delta chain - Torpedo californica | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Nicotinic acetylcholine receptor alpha 5 subunit - Musca domestica | Lysine-specific demethylase 4D-like - Homo sapiens | Neuronal acetylcholine receptor protein alpha-7 subunit - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | Beta-glucocerebrosidase - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Inositol monophosphatase 1 - Rattus norvegicus | Cytochrome P450 3A4 - Homo sapiens | Acetylcholine receptor protein alpha chain - Torpedo californica | Microtubule-associated protein tau - Homo sapiens | Prelamin-A/C - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens |Org= Rattus norvegicus|Chromobox protein homolog 1 - Homo sapiens | Geminin - Homo sapiens | Rap guanine nucleotide exchange factor 4 - Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens |Org= Plasmodium falciparum |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Esophageal and Esophagogastric Junction Cancers|Esophageal squamous cell carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=Neuronal Signaling |
3D viewer |
Pubchem |
4BQT 5SYO |
1549781 |
No Cas |
C1C2CNCC1C3=CC=CC(=O)N3C2 |
ANJTVLIZGCUXLD-RKDXNWHRSA-N |
190.11000 |
C11H14N2O |
-1.1881 |
3 |
1 |
32.34 |
0.0 |
14 |
3 |
Pharmacological properties of the homomeric alpha 7 receptor.|Behavioral effects after intrathecal administration of cholinergic receptor agonists in the rat.|[The effect of cytisine on mRNA transport in the cytoplasm of eukaryotic cells (plants and animals)].|Biochemical characterization of the nicotinic cholinergic receptors in human brain: binding of (-)-[3H]nicotine.|[3H](-)nicotine binding sites in fetal human brain.|[3H]acetylcholine nicotinic recognition sites in human brain: characterization of agonist binding. |
CHEMBL47039|CYTISINE|Cytisine-(-)|Tabex (TN)|AC1LEBJA|AC1LU8LK|ChEMBL_66244|SCHEMBL8310138|(1R,9R)-7,11-diazatricyclo7.3.1.0~2,7~trideca-2,4-dien-6-one|(1S,9R)-7,11-diazatricyclo7.3.1.0~2,7~trideca-2,4-dien-6-one|CHEMBL2374256|1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido1,2-a1,5diazocin-8-one (cytisine)|Cytisine1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido1,2-a1,5diazocin-8-one|ZINC1599729|BDBM50107863|SBI-0052419.P002|D07770| |
| Ligustilide |
natural product |
Angelica sinensis|Conioselinum vaginatum|Ligustici rhizoma et radix|Akebia quinata|Akebia trifoliata|Angelica acutiloba|Angelica gigas|Actaea dahurica|Actaea cimicifuga|Actaea heracleifolia|Actaea simplex|Cnidium officinale|Ligusticum sinense|Ligusticum jeholense|Ligusticum tenuissimum|Pinellia ternata|Ligusticopsis brachyloba|Ligusticum porteri|Levisticum officinale|Angelica japonica|Ligusticum brachylobum|Poria cocos|Ligusticum chuanxiong |
Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Serotonin 7 (5-HT7) receptor - Homo sapiens | Transient receptor potential cation channel subfamily A member 1 - Homo sapiens |Org= Mus musculus | Drosophila melanogaster | Anopheles stephensi | Aedes aegypti | Bemisia tabaci | Glomerella acutata | Colletotrichum gloeosporioides | Colletotrichum fragariae |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|Chronic Myelogenous Leukemia|Org=Mus musculus | Drosophila melanogaster | Anopheles stephensi | Aedes aegypti | Bemisia tabaci | Glomerella acutata | Colletotrichum gloeosporioides | Colletotrichum fragariae |
3D viewer |
Pubchem |
|
5319022 |
4431-01-0 |
CCCC=C1C2=C(C=CCC2)C(=O)O1 |
IQVQXVFMNOFTMU-FLIBITNWSA-N |
190.10000 |
C12H14O2 |
0.8112 |
2 |
0 |
26.30 |
3.0 |
14 |
2 |
Chemical structure-activity of cnidium rhizome-derived phthalides for the competence inhibition of proliferation in primary cultures of mouse aorta smooth muscle cells.|Inhibitory effects of ligustilide and butylidenephthalide on bFGF-stimulated proliferation of rat smooth muscle cells.|Neuroprotective role of Z-ligustilide against forebrain ischemic injury in ICR mice.|Ligustilide inhibits vascular smooth muscle cells proliferation.|Relaxation effects of ligustilide and senkyunolide A, two main constituents of Ligusticum chuanxiong, in rat isolated aorta.|Inhibitors of stress-activated protein/mitogen-activated protein kinase pathways. |
Ligustilide|4431-01-0|(Z)-Ligustilide|Z-ligustilide|cis-ligustilide|Ligustilide A|(Z)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one|UNII-10HE68JD06|CHEMBL481246|1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-, (3Z)-|CHEBI:68232|IQVQXVFMNOFTMU-FLIBITNWSA-N|10HE68JD06|(3Z)-3-butylidene-4,5-dihydro-2-benzofuran-1-one|81944-09-4|3-Butylidene-4,5-dihydro-1(3H)-isobenzofuranone|(3Z)-3-butylidene-4,5-dihydroisobenzofuran-1-one|trans-ligustilide|3-butylidene-4,5-dihydrophthalide|Ligustilide, (E)-|AC1NSXKH|Spectrum5_000551|SCHEMBL11967666|Ligustilide, >=98% (HPLC)|MolPort-003-665-830|MolPort-044-724-576|BCP09458|HY-N0401|ZINC2386261|BDBM50441016|AKOS006276856|AC-8049|CS-5299|AS-15334|O904|L-170|C16987|3-Butyliden-4,5-dihydro-3H-isobenzofuran-1-one|431L010|A826540|1(3H)-Isobenzofuranone,3-butylidene-4,5-dihydro-|Q-100482|(3Z)-3-butylidene-4,5-dihydro-2-benzofuran-1-one.|1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-, (Z)-|(1E)-2-(4-Chlorophenyl)-3-(4-morpholinyl)-N-(Z)-4-pyridinylmethylidene-3-thioxo-1-propen-1-amine| |
| Chrysin |
bioactive compound |
Fragaria ananassa|Acacia honey|Scutellaria baicalensis| |
Path=PLCG1 pathway|SYK pathway|MAPK1 pathway|MAPK3 pathway|Gen=Others |
Dis=Acute Myeloid Leukemia|Basophilic Leukemia|Melanoma|malignant melanoma|Murine Melanoma|Multiple Myeloma|Multiple Myeloma |Gen=Others |
3D viewer |
Pubchem |
3EBO 4DES |
5281607 |
480-40-0 |
C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O |
RTIXKCRFFJGDFG-UHFFFAOYSA-N |
254.24000 |
C15H10O4 |
2.652 |
2 |
2 |
66.80 |
1.0 |
19 |
|
Chrysin is a naturally occurring flavone chemically extracted from the blue passion flower (Passiflora caerulea). |
NSC 407436 |
| Scopoletin |
bioactive compound |
Artemisia argyi|Gelsemium sempervirens| |
Path=BIRC5 pathway|CCND1 pathway|PCNA pathway|STAT3 pathway|CASP3 pathway|TP53 pathway|Gen=Immunology & Inflammation related |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Melanoma|malignant melanoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
|
5280460 |
92-61-5 |
COC1=C(C=C2C(=C1)C=CC(=O)O2)O |
RXXROUJXJUCLTH-UHFFFAOYSA-N |
192.17000 |
C10H8O4 |
1.641 |
3 |
1 |
55.80 |
1.0 |
14 |
|
Scopoletin is the main bioactive constituent of flower buds from Magnolia fargesii with anti-inflammatory, hypouricemic, and antioxidant activities. |
Esculetin 6-methyl ether, Gelseminic acid, 6-Methylesculetin, Chrysatropic acid |
| Myricitrin |
natural product |
Myrica rubra|Hypericum scabrum|Bauhinia glauca|Cephalanthus occidentalis|Phedimus aizoon |
Gen=PKC|DNA polymerase beta - Homo sapiens | Muscleblind-like protein 1 - Homo sapiens | Zinc finger protein mex-5 - Caenorhabditis elegans | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Cytoplasmic zinc-finger protein - Caenorhabditis elegans | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Microtubule-associated protein tau - Homo sapiens | DNA polymerase kappa - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | Flap endonuclease 1 - Homo sapiens | Mannose-6-phosphate isomerase - Homo sapiens | Lysosomal alpha-glucosidase - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Ataxin-2 - Homo sapiens | Serine/threonine-protein kinase PLK1 - Homo sapiens | DNA polymerase eta - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | DNA polymerase iota - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Rap guanine nucleotide exchange factor 3 - Homo sapiens | Protein disulfide-isomerase - Homo sapiens |Org= Plasmodium falciparum|Arginase - Leishmania amazonensis|Cholinesterase - Equus caballus | Acetylcholinesterase - Electrophorus electricus |Org= Heliothis virescens |
Dis=Acute Myeloid Leukemia|Basophilic Leukemia|Gen=TGF-beta/Smad |
3D viewer |
Pubchem |
|
40491193 |
No Cas |
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O |
DCYOADKBABEMIQ-FHAIKQJESA-N |
464.10000 |
C21H20O12 |
-4.8524 |
6 |
8 |
206.60 |
12.0 |
33 |
4 |
Inhibition of protein-tyrosine kinase activity by flavanoids and related compounds.|Identification of myricetin and scutellarein as novel chemical inhibitors of the SARS coronavirus helicase, nsP13.|Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.|Potential therapeutic agents for circulatory diseases from Bauhinia glauca Benth.subsp. pernervosa. (Da Ye Guan Men). |
|
| Evodiamine |
natural product |
Evodia rutaecarpa|Evodia spp|Evodia baberi|Evodia rutaecarpa var. bodinieri|Evodia rutaecarpa var. officinalis|Evodia austrosinensis|Fructus evodiae|Tetradium ruticarpum|Tetradium austrosinense |
Path=ABCB1 pathway|AKT1 pathway|BCL2 pathway|BCL2A1 pathway|BCL2L1 pathway|BIRC2 pathway|BIRC3 pathway|BIRC5 pathway|CCND1 pathway|CFLAR pathway|ICAM1 pathway|MMP9 pathway|MYC pathway|PTGS2 pathway|XIAP pathway|BAX pathway|CASP3 pathway|TP53 pathway|CDKN1A pathway|MAPK1 pathway|MAPK3 pathway|SIRT1 pathway|CCNB1 pathway|CDC2 pathway|CDC25C pathway|CASP8 pathway|CASP9 pathway|NAD-dependent deacetylase sirtuin 1 - Homo sapiens | Serotonin 1a (5-HT1a) receptor - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Cytochrome P450 1A2 - Homo sapiens | NAD-dependent deacetylase sirtuin 3 - Homo sapiens | Cytochrome P450 1A1 - Homo sapiens | Cholinesterase - Equus caballus | NAD-dependent deacetylase sirtuin 2 - Homo sapiens | Cytochrome P450 1B1 - Homo sapiens |Org= Mus musculus |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Kidney Cancer|Embryonic Kidney Carcinoma|Melanoma|malignant melanoma|Multiple Myeloma|Multiple Myeloma |Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Thyroid Cancer|undifferentiated thyroid cancer (UTC)|Org=Mus musculus |
3D viewer |
Pubchem |
|
6971167 |
No Cas |
CN1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3 |
TXDUTHBFYKGSAH-GOSISDBHSA-N |
303.14000 |
C19H17N3O |
-0.5403 |
4 |
1 |
39.34 |
1.0 |
23 |
5 |
Inhibitory effect of dehydroevodiamine and evodiamine on nitric oxide production in cultured murine macrophages.|Effect of structural modification on the inhibitory selectivity of rutaecarpine derivatives on human CYP1A1, CYP1A2, and CYP1B1.|New tricks for an old natural product: discovery of highly potent evodiamine derivatives as novel antitumor agents by systemic structure-activity relationship analysis and biological evaluations.|Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine. |
|
| Vibsanin V |
natural product |
Viburnum awabuki |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
11267134 |
No Cas |
CC(=C)C(CCC1(CC=C(CCC2C(O2)(CC=C1)C)C=O)C)O |
ACQYLNJYSCYZAF-JRBVDQLDSA-N |
318.22000 |
C20H30O3 |
1.3455 |
3 |
1 |
49.83 |
9.0 |
23 |
2 |
|
|
| 4-Epi-Dehydroabietic Acid |
natural product |
Pistacia lentiscus|Pinus spez|Nemuaron humboldtii|Russula sardonia|Boletinus paluster|Eurycoma longifolia|Goniothalamus undulatus|Acinetobacter calcoaceticus|Euphorbia resinifera|Bersama swinnyi|Vitex negundo|Blainvillea latifolia|Stenocereus thurberi|Liquidambar formosana|Prosopis kuntzei|Aralidium pinnatifidum|Illicium majus|Leontice kiangnanensis|Acinetobacter baumannii|Penicillium alutaceum|Helichrysum sutherlandii|Geigeria schinzii|Cheilanthes marantae|Helichrysum angustifolium|Pteris spinulosa|Heterosigma akashiwo|Pinus glauca|Lophiostoma vaginatispora|Lophocereus marginatus|Ophryosporus charua|Pachycereus pringlei|Dermocybe cardinalis|Medium grandiflorum|Papaver radicatum|Monanchora unguiculata |
Path=CASP3 pathway|CASP8 pathway|Org=Human coxsackievirus B3 |
Dis=Non-Hodgkin's Lymphomas|Lymphoblastic Leukemia|Non-Melanoma Skin Cancers|Skin Carcinoma|Org=Human coxsackievirus B3 |
3D viewer |
Pubchem |
|
1201531 |
5155-70-4 |
CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)O)C |
NFWKVWVWBFBAOV-RLLQIKCJSA-N |
300.21000 |
C20H28O2 |
0.9014 |
2 |
1 |
37.30 |
7.0 |
22 |
3 |
Seasonal changes in certain metabolic and haematologic responses of Salmo gairdneri acutely exposed to dehydroabietic acid (DHAA).|A method for 2D crystallization of soluble proteins at liquid-liquid interface.|Distinct roles for two CYP226 family cytochromes P450 in abietane diterpenoid catabolism by Burkholderia xenovorans LB400.|Dehydroabietic acid, a phytochemical, acts as ligand for PPARs in macrophages and adipocytes to regulate inflammation.|Disproportionated rosin dehydroabietic acid in neoprene surgical gloves.|Hepatoprotective and in vitro antioxidant effect of Carthamus tinctorious L, var Annigeri-2-, an oil-yielding crop, against CCl(4) -induced liver injury in rats. |
DEHYDROABIETIC ACID|1740-19-8|Callitrisic acid|5155-70-4|SCHEMBL222079|CHEMBL2431478|ZINC5447546|AKOS015893064|AJ-54122|AK116902|I04-1475| |
| Britannilactone |
natural product |
Inula britannica|Inulae flos|Inula japonica |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma |
3D viewer |
Pubchem |
|
44575246 |
No Cas |
CC1=C(C(C2C(C1)OC(=O)C2=C)O)C(C)CCCO |
ASZIGQFYGXSPCO-RHBIEUIISA-N |
266.15000 |
C15H22O4 |
-0.0131 |
4 |
2 |
66.76 |
8.0 |
19 |
2 |
|
|
| (-)-Rhododendrol |
natural product |
Acer nikoense|Betula platyphylla|Rhododendron mucronatum|Rhododendron dauricum|Rhododendron fauriei|Rhododendron chrysanthum|Rhododendri daurici folium|Rhododendron aureum|Rhododendron mucronulatum|Acer maximowiczianum |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia |
3D viewer |
Pubchem |
|
919205 |
501-96-2 |
CC(CCC1=CC=C(C=C1)O)O |
SFUCGABQOMYVJW-MRVPVSSYSA-N |
166.10000 |
C10H14O2 |
-1.1453 |
1 |
2 |
40.46 |
6.0 |
12 |
1 |
Inhibition of antigen-induced degranulation by aryl compounds isolated from the bark of Betula platyphylla in RBL-2H3 cells.|Chemical synthesis and tyrosinase inhibitory activity of rhododendrol glycosides.|Rhododendrol, a depigmentation-inducing phenolic compound, exerts melanocyte cytotoxicity via a tyrosinase-dependent mechanism.|Depigmentation caused by application of the active brightening material, rhododendrol, is related to tyrosinase activity at a certain threshold.|An immune pathological and ultrastructural skin analysis for rhododenol-induced leukoderma patients.|Tyrosinase-catalyzed metabolism of rhododendrol (RD) in B16 melanoma cells: production of RD-pheomelanin and covalent binding with thiol proteins. |
Rhododendrol|501-96-2|(-)-rhododendrol|UNII-97PTR2F3Z8|97PTR2F3Z8|Rhododendrol, (-)-|(-)-Betuligenol|(R)-Frambinol|Betuligenol, (-)-|(R)-(-)-Rhododendrol|(R)-Rhododenol|2-Butanol, 4-(p-hydroxyphenyl)-|AC1LJ92D|Benzenepropanol, 4-hydroxy-alpha-methyl-, (R)-|Benzenepropanol, 4-hydroxy-alpha-methyl-, (alphaR)-|CHEMBL1086681|SCHEMBL13698052|4r-(4-hydroxyphenyl)-2-butanol|AOB5076|DTXSID20198211|4-(3R)-3-hydroxybutylphenol|MolPort-028-754-118|SFUCGABQOMYVJW-MRVPVSSYSA-N|ZINC506564|p-(3-Hydroxybutyl)phenol, (R)-|AKOS032948275|VZ28066|(R)-4-hydroxy-?-methyl-Benzenepropanol|4CN-0610|AS-18098|W2013|Benzenepropanol, 4-hydroxy-.alpha.-methyl-, (-)-|Benzenepropanol, 4-hydroxy-.alpha.-methyl-, (R)-|UNII-12QWN45UL0 component SFUCGABQOMYVJW-MRVPVSSYSA-N|23950-20-1| |
| 3-Epi-Taraxerol |
natural product |
Myrica rubra|Coptis trifolia subsp. groenlandica|Haemanthus toxicarius|Phytolacca acinosa|Tetradium glabrifolium|Juniperus horizontalis|Melaleuca decora|Schisandra arisanensis|Roccellaria mollis|Calceolaria thyrsiflora|Calcarisporium thermophilum|Cynoglossum amabile|Corydalis persica|Atalantia wightii|Amomum daniellii|Alchornea cordifolia|Cota tinctoria|Calophyllum thwaitesii|Felicia amelloides|Sarcodictyon roseum|Tricholoma batschii|Nicotiana repanda|Berberis crataegina|Artemisia sieversiana|Helenium quadridentatum|Streptomyces rubellomurinus|Senna sophera|Polytolypa hystricis|Sophora japonica|Acacia cambagei|Streptomyces longissimus|Inula grantioides|Glycosmis pseudoracemosa|Ustilago maydis|Cachrys trifida|Aster alpinus|Hygrophorus eburneus|Arnica viscosa|Ophiorrhiza liukiuensis|Echinocystis lobata|Xanthoparmelia pokornyi|[polyangium] brachysporum|Rhodoglossum japonicum|Podocarpus montanus|Strychnos spinosa|Phlomoides medicinalis|Crataegus pontica|Pteris inaequalis|Athanasia dregeana|Peucedanum oroselinum|Indigofera microcarpa|Lathyrus tingitanus|Corynanthe pachyceras|Alexandrium excavatum|Sabal peregrina|Corydalis paniculigera|Senecio polyodon|Rauvolfia salicifolia|Salix purpurea|Manihot esculenta|Balanophora japonica|Salmonella enterica subsp. enterica serovar bovismorbificans|Rhizoplaca baranowii|Paramignya griffithii|Corydalis longipes|Plectranthus caninus|Plectosphaerella cucumerina|Baccharis solieri |
|
Dis=Acute Myeloid Leukemia|Basophilic Leukemia |
3D viewer |
Pubchem |
|
12443227 |
3-epi-taraxerol |
CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)C |
GGGUGZHBAOMSFJ-VONAQYPGSA-N |
426.39000 |
C30H50O |
3.4636 |
1 |
1 |
20.23 |
9.0 |
31 |
5 |
|
|
| Isoscopoletin |
natural product |
Artemisia argyi|Chrysosplenium oppositifolium|Fagara zanthoxyloides|Virola sebifera|Siphonostegia chinensis|Canarium album|Sphaeria biglobosa|Centaurea spruneri|Artemisia scoparia|Senecio othonniformis|Melicope sarcococca|Papularia sphaerosperma|Sophora davidii|Polypodiodes formosana|Pseudocedrela kotschyi|Buxus microphylla var. sinica|Uncaria guianensis|Rhodopila globiformis|Buxus microphylla sieb. et zucc. var. sinica rehd. et wils.|Pteris australis|Withania frutescens|Chloranthus japonicus|Hepialus hecta|Calanthe arisanensis|Aglaia lawii|Actinidia chinensis planch|Arisarum vulgare|Aplophyllum telephioides|Garcinia volkensii|Streptomyces griseus|Aniba duckei|Channa argus|Agathosma recurvifolia|Citrus medica|Sphaeria doliolum|Hyacinthoides hispanica|Pittosporum viridiflorum|Euphorbia hirta|Fraxinus chinensis|Resupinatus leightonii|Isodon gesneroides|Roldana barba-johannis|Fraxinus chinensis subsp. rhynchophylla|Euphorbia balsamifera|Notholaena peninsularis|Choisya arizonica|Fraxinus stylosa|Clematis angustifolia|Erythrina eriotriocha|Indigofera linnaei|Fraxinus szaboana|Ilex hainanensis|Armillaria tabescens|Venidium hirsutum|Bugula neritina|Lobelia chinensis|Amaioua guianensis|Myelochroa rhytidodes|Nama johnstonii|Lycium barbarum|Berchemia floribunda|Vicoa vestita|Diaporthe amygdali|Lycium chinense|Morus rubra|Althaea officinalis|Streptomyces orinoci|Viola mandshurica|Swertia decora|Alphitonia macrocarpa|Euphorbia officinarum|Viola philippica|Helianthus divaricatus|Rubus thibetanus|Xylopia brasiliensis|Stenomesson miniatum|Ranunculus sceleratus|Ligularia subspicata|Dictamnus gymnostylis|Quercus acuta|Quercus gilva|Sideritis nutans|Reaumuria mucronata|Veratrum eschscholtzii|Plinia cauliflora|Oligonychus bessardi|Pseudotaxus chienii|Glycyrrhiza pallidiflora|Pinus sitchensis|Paederiae scandentis herba|Erythrina sandwicensis|Agathosma betulina|Conyza bonariensis|Euphorbiae humifusae herba|Saussurea involucrata|Morinda citrifolia|Mucuna sloanei|Vibrio parahaemolyticus|Zanthoxylum integrifoliolum|Plexaurella grisea|Epimedium sagittatum|Santolina rosmarinifolia|Syringa vulgaris|Sinularia manaarensis|Nervilia fordii|Lobeliae chinensis herba|Dysoxylum binectariferum|Baccharis santelicis|Punctelia microsticta|Incarvillea emodi|Kansui radix|Nephelium lappaceum|Senecio coahuilensis|Glossocalyx brevipes|Mcneillia graminifolia|Violsse herba|Hygrophila polysperma|Eucalyptus sieberiana|Theonella cupola|Arnica sachalinensis|Artemisiae scopariae herba|Tritomaria quinquedentata|Serratula xeranthemoides|Ochrocarpos odoratus|Betula maximowicziana|Viscum angulatum heyne|Rothmannia urcelliformis|Hyphear tanakae|Xerula melanotricha|Streptomyces blastmyceticus|Solanum melongena l|Mycale laxissima|Eriogonum nudum |
Arachidonate 5-lipoxygenase - Homo sapiens | Xanthine dehydrogenase - Homo sapiens | Carbonic anhydrase I - Homo sapiens | Arachidonate 15-lipoxygenase - Oryctolagus cuniculus | DNA polymerase kappa - Homo sapiens | Carbonic anhydrase VII - Homo sapiens | Sorbitol dehydrogenase - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus | Carbonic anhydrase XII - Homo sapiens | Carbonic anhydrase XIII - Homo sapiens | Aldose reductase - Homo sapiens | Carbonic anhydrase IX - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia |
3D viewer |
Pubchem |
|
69894 |
776-86-3 |
COC1=C(C=C2C=CC(=O)OC2=C1)O |
SYTYLPHCLSSCOJ-UHFFFAOYSA-N |
192.04000 |
C10H8O4 |
-0.2421 |
1 |
1 |
55.76 |
3.0 |
14 |
2 |
Antiviral activity of some hydroxycoumarin derivatives.|6,7-Dihydroxy-4-phenylcoumarin as inhibitor of aldose reductase 2.|Natural product coumarins that inhibit human carbonic anhydrases.|Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.|A comprehensive review on synthesis and designing aspects of coumarin derivatives as monoamine oxidase inhibitors for depression and Alzheimer's disease.|Galanthamine, an anti-cholinesterase drug, effects plant growth and development in Artemisia tridentata Nutt. via modulation of auxin and neurotransmitter signaling. |
Isoscopoletin|776-86-3|6-Hydroxy-7-methoxycoumarin|6-hydroxy-7-methoxy-2H-chromen-2-one|7-Methoxyesculetin|Isoscopoletine|2H-1-Benzopyran-2-one, 6-hydroxy-7-methoxy-|6-hydroxy-7-methoxychromen-2-one|6-hydroxy-7-methoxy-chromen-2-one|CHEMBL390320|CHEBI:81484|iso-scopoletin|6-Hydroxy-7-methoxy-2-benzopyrone|EINECS 212-282-4|AC1L2CWN|Esculetin 7-methyl ether|Esculetin, 7-methyl ether|6-Hydroxy-7-methylcoumarin|AC1Q4EZ0|AC1Q69W0|SCHEMBL2790887|CTK7A0381|DTXSID40228266|MolPort-003-927-047|SYTYLPHCLSSCOJ-UHFFFAOYSA-N|6-Hydroxy-7-Methoxycoumarin ,(S)|ZINC1845692|2178AC|BDBM50206008|AKOS016009381|CCG-208436|FCH1121301|MCULE-3897085978|NCGC00163577-01|4CN-2585|AJ-31852|AK112333|AN-47590|OR351000|ST096993|AB3000016|AX8109333|6-Hydroxy-7-methoxy-2H-1-benzopyran-2-one|FT-0722943|ST24045402|C18079|776H863|SR-05000002254|SR-05000002254-2| |
| n.a. |
natural product |
Withania somnifera |
Path=MAPK14 pathway|PAWR pathway| |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute T cell leukemia |pre-B leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Ehrlich Ascites Carcinoma (EAC)|Non-small Cell Lung Cancer|large cell carcinoma|Prostate Cancer|Prostate Adenocarcinoma|Soft Tissue Sarcoma|Mouse sarcoma |
3D viewer |
Pubchem |
|
265237 |
5119-48-2 |
CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)CO |
DBRXOUCRJQVYJQ-CKNDUULBSA-N |
470.27000 |
C28H38O6 |
0.6416 |
6 |
2 |
96.36 |
9.0 |
34 |
6 |
Novel cytotoxic and antitumor agents. IV. Withaferin A: relation of its structure to the in vitro cytotoxic effects on P388 cells.|Modification of bone marrow radiosensensitivity by medicinal plant extracts.|Withaferin A is a potent inhibitor of angiogenesis.|Actin microfilament aggregation induced by withaferin A is mediated by annexin II.|Development of withaferin A analogs as probes of angiogenesis.|Apoptosis is induced in leishmanial cells by a novel protein kinase inhibitor withaferin A and is facilitated by apoptotic topoisomerase I-DNA complex. |
Withaferin A|5119-48-2|Withaferine A|UNII-L6DO3QW4K5|NSC 273757|WITHAFERIN DERIV JPR, IOWA U. COMPOUND|BRN 1335150|L6DO3QW4K5|Ashwagandha|CHEBI:69120|NSC-101088|NSC101088|4beta,27-dihydroxy-1-oxo-5beta,6beta-epoxywitha-2,24-dienolide|(4beta,5beta,6beta,22R)-4,27-dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione|(4beta,5beta,6beta,22R)-5,6-Epoxy-4,22,27-trihydroxy-1-oxoergosta-2,24-dien-26-oic acid, delta-lactone|5-beta-Ergosta-2,24-dien-26-oic acid, 5,6-beta-epoxy-4-beta,22,27-trihydroxy-1-oxo-, delta-lactone, (20S,22R)-|Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,22,27-trihydroxy-1-oxo-, gamma-lactone, (4bta,5beta,6beta,22R)-|Withaferine|5.beta.-Ergosta-2, 5,6.beta.-epoxy-4.beta.,22,27-trihydroxy-1-oxo-, .delta.-lactone, (20S,22R)-|C28H38O6|Ergosta-2, 5,6-epoxy-4,22,27-trihydroxy-1-oxo-, .delta.-lactone, (4.beta.,5.beta.,6.beta.,22R)-|AC1L6DJ0|5-19-06-00604 (Beilstein Handbook Reference)|MLS006010687|SCHEMBL157208|CHEMBL517080|Withaferin A, analytical standard|Withaferin A, >=95% (HPLC)|HY-N2065|ZINC8234189|NSC273757|5,6-epoxy-4,22,27-trihydroxy-1-oxoergosta-2,24-dienoic acid delta-lactone|NSC 101088|NSC-273757|NCGC00180796-02|(4 beta,5 beta,6 beta,22R)-5,6-epoxy-4,22,27-trihydroxy-1-oxoergosta- 2,24-dien-26-oic acid, delta-lactone|LS-64535|NCI60_000031|SMR004701668|B7199|CS-0018562|C08841|A1-06845|BRD-K88378636-001-01-0|5,6-Epoxy-4,27-dihydroxy-1-oxowitha-2,24-dienolide|WLN: T3 F5 E666 1A R AXO OV PU CH&TTTTJ J1 N1 RQ IY1&- FT6OV CUTJ C1Q D1|(20S,22R)-5,6|A-Epoxy-4|A,22,27-trihydroxy-1-oxo-5|A-ergosta-2,24-dien-26-oic Acid |A-Lactone|(4|A,5|A,6|A,22R)-5,6-Epoxy-4,22,27-trihydroxy-1-oxoergosta-2,24-dien-26-oic Acid |A-Lactone|4|A,5|A,6|A,22R)-5,6-Epoxy-4,22,27-trihydroxy-1-oxo-ergosta-2,24-dien-26-oic acid |A-lactone|5beta-Ergosta-2,24-dien-26-oic acid, 5,6beta-epoxy-4beta,22,27-trihydroxy-1-oxo-, delta-lactone, (20S,22R)-|5beta-Ergosta-2,24-dien-26-oic acid, 5,6beta-epoxy-4beta,22,27-trihydroxy-1-oxo-, delta-lactone, (20S,22R)- (8CI)|NCGC00180796-02_C28H38O6_(4beta,5beta,6beta,22R)-4,27-Dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione| |
| n.a. |
natural product |
Evodia rutaecarpa|Evodia spp|Phellodendron chinese|Hesperocyparis goveniana var. abramsiana|Warburgia salutaris|Tylophora asthmatica|Lagochilus hirsutissimus|Streptomyces levoris|Evodiae fructus|Dendrobium nobile|Euodia bodinieri|Euodia officinalis|Euodia ruticarpa|Tetradium ruticarpum|Phellodendron amurense|Phellodendron chinense |
Path=ABCB1 pathway|AKT1 pathway|BCL2 pathway|BCL2A1 pathway|BCL2L1 pathway|BIRC2 pathway|BIRC3 pathway|BIRC5 pathway|CCND1 pathway|CFLAR pathway|ICAM1 pathway|MMP9 pathway|MYC pathway|PTGS2 pathway|XIAP pathway|BAX pathway|CASP3 pathway|TP53 pathway|CDKN1A pathway|MAPK1 pathway|MAPK3 pathway|SIRT1 pathway|CCNB1 pathway|CDC2 pathway|CDC25C pathway|CASP8 pathway|CASP9 pathway|NAD-dependent deacetylase sirtuin 3 - Homo sapiens | NAD-dependent deacetylase sirtuin 1 - Homo sapiens | NAD-dependent deacetylase sirtuin 2 - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Kidney Cancer|Embryonic Kidney Carcinoma|Melanoma|malignant melanoma|Multiple Myeloma|Multiple Myeloma |Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Thyroid Cancer|undifferentiated thyroid cancer (UTC) |
3D viewer |
Pubchem |
|
442088 |
518-17-2 |
CN1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3 |
TXDUTHBFYKGSAH-SFHVURJKSA-N |
303.14000 |
C19H17N3O |
-0.5403 |
4 |
1 |
39.34 |
1.0 |
23 |
5 |
The vasorelaxant effect of evodiamine in rat isolated mesenteric arteries: mode of action.|Inhibitory effect of dehydroevodiamine and evodiamine on nitric oxide production in cultured murine macrophages.|Inhibitory effects of evodiamine on in vitro invasion and experimental lung metastasis of murine colon cancer cells.|The alkaloid rutaecarpine is a selective inhibitor of cytochrome P450 1A in mouse and human liver microsomes.|[Studies on evodiamine induced HeLa cell apoptosis].|Intracellular regulation of evodiamine-induced A375-S2 cell death. |
Evodiamine|518-17-2|(+)-Evodiamine|UNII-C01825BVNL|Evodiamine, Evodia rutaecarpa|d-Evodiamine|C01825BVNL|CHEBI:4948|Evodiamine, 98%|Evodiamine, (+)-|Q-100579|C19H17N3O|(S)-14-methyl-8,13,13b,14-tetrahydroindolo2',3':3,4pyrido2,1-bquinazolin-5(7H)-one|PubChem18244|Indolo2',3':3,4pyrido2,1-bquinazolin-5(7H)-one, 8,13,13b,14-tetrahydro-14-methyl-, (13bS)-|AC1L9C8E|Evodiamine,(S)|(13bS)-14-methyl-8,13,13b,14-tetrahydroindolo2',3':3,4pyrido2,1-bquinazolin-5(7H)-one|Evodiamine(Isoevodiamine)/|KSC270Q0P|MLS006011787|SCHEMBL682158|CHEMBL463165|CTK1H0807|MolPort-005-910-652|ZINC898159|BCP02282|HY-N0114|Indol(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13,13b,14-tetrahydro-14-methyl-, (13bS)-|Indol(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13,13b,14-tetrahydro-14-methyl-, (S)-|ABP000693|BBL033833|MFCD06407824|STK801981|AKOS005622478|CS-6161|MCULE-2788564607|CJ-04510|SC-16015|SMR001934404|FT-0651829|N1600|C09187|518E172|Evodiamine, European Pharmacopoeia (EP) Reference Standard|(S)-14-methyl-7,8,13b,14-tetrahydroindolo2',3':3,4pyrido2,1-bquinazolin-5(13H)-one| |
| n.a. |
natural product |
Astragalus membranaceus|Penicillium glabrum|Xestospongia deweerdtae|Stachys bombycina|Darlingia ferruginea|Hunteria congolana|Astragalus mongholicus|Hedysarum polybotrys|Usnea pectinata |
Gen=Calcium Channel|Org=Hepatitis B virus | Duck hepatitis B virus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-Hodgkin's Lymphomas|Chronic Lymphocytic Leukemia|Gen=Transmembrane Transporters |
3D viewer |
Pubchem |
|
13943297 |
84687-43-4 |
CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(CO8)O)O)O)C |
QMNWISYXSJWHRY-YLNUDOOFSA-N |
784.46000 |
C41H68O14 |
-3.3674 |
14 |
9 |
228.22 |
23.0 |
55 |
8 |
Regulation of the fibrinolytic potential of cultured human umbilical vein endothelial cells: astragaloside IV downregulates plasminogen activator inhibitor-1 and upregulates tissue-type plasminogen activator expression.|[Scavenging effects of Astragalus and Gynostemma pentaphyllum with its product on O2-. and .OH].|Quantitative determination of Astragaloside IV, a natural product with cardioprotective activity, in plasma, urine and other biological samples by HPLC coupled with tandem mass spectrometry.|Quantitation of astragaloside IV in rat plasma by liquid chromatography-tandem mass spectrometry.|Astragaloside IV from Astragalus membranaceus shows cardioprotection during myocardial ischemia in vivo and in vitro.|Preclinical pharmacokinetics and tissue distribution of a natural cardioprotective agent astragaloside IV in rats and dogs. |
Astragaloside IV|Astragaloside A|84687-43-4|UNII-1J6XA9YCFV|1J6XA9YCFV|CHEBI:65457|83207-58-3|3-O-beta-D-xylopyranosyl-6-O-beta-D-glucopyranosylcycloastragenol|n-benzyloxycarbonyl-1-aminocyclopropanecarboxylic acid|AK119794|beta-D-Glucopyranoside, (3beta,6alpha,16beta,20R,24S)-20,24-epoxy-16,25-dihydroxy-3-(beta-D-xylopyranosyloxy)-9,19-cyclolanostan-6-yl|Astragaloside IV, >98.0%|CHEMBL3121562|MolPort-023-220-354|EBD11477|HY-N0431|AKOS025311424|ZINC238809356|AS-19402|K514|AB0033838|ST24045986|X7614|C17799|846A434|Astragaloside IV, European Pharmacopoeia (EP) Reference Standard|Astragaloside IV, United States Pharmacopeia (USP) Reference Standard|(2R,3R,4S,5S,6R)-2-(((2aR,3R,4S,5aS,5bS,7S,7aR,9S,11aR,12aS)-4-hydroxy-3-((2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-2a,5a,8,8-tetramethyl-9-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetradecahydro-1H,12H-cyclopentaacyclopropaephenanthren-7-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol| |
| 1-(2,4-Dihydroxyphenyl)-3-(4-Hydroxyphenyl)Prop-2-En-1-One |
natural product |
Platymiscium floribundum|Abies pinsapo var. marocana|Botrytis cinerea|Astragalus adsurgens|Bryonia alba|Napoleonaea vogelii|Aspilia parvifolia|Clausena suffruticosa|Arnica mollis|Lupinus holosericeus|Angelica acutiloba|Elaeocarpus sphaericus|Streptomyces matensis|Ixeris debilis|Sinapis alba|Alternaria macrospora|Dalbergia congestiflora|Marasmiellus troyanus|Endiandra xanthocarpa|Anthoceros punctatus|Eucalyptus resinifera|Dactylorhiza viridis|Senna lindheimeriana|Corydalis densiflora|Xanthorhiza simplicissima|Schizophyllum lobatum|Chrysosporum ovalisporum|Schultesia guianensis|Schleichera trijuga|Tephrosia elata|Searsia leptodictya|Triclisia subcordata|Ranunculus asiaticus|Mabea fistulifera|Ampelocera edentula|Carpha glomerata|Achlya heterosexualis|Datura wrightii|Marasmius prasiosmus|Desmodium canadense|Abies excelsa|Eurycoma harmandiana|Aaptos ciliata|Croton gratissimus|Diplopterygium glaucum|Camarops microspora|Euphrasia genargentea|Helichrysum subulifolium|Remirea maritima|Cinchona officinalis|Viburnum erubescens|Cystoseira mediterranea|Pterolobium hexapetalum|Hemsleya graciliflora|Halobacillus litoralis|Barringtonia acutangula|Solanum lanceolatum|Orthosiphon spicatus|Trididemnum cyanophorum|Lobophytum durum|Helichrysum asperum|Brassica carinata|Khaya grandifoliola|Maytenus chuchuhuasha|Cyanostegia angustifolia|Craibiodendron yunnanense|Angelica hirsutiflora|Patiria miniata|Murraya paniculata var. omphalocarpa|Lysimachia fordiana|Oxytropis falcata|Lophopetalum toxicum|Wikstroemia viridiflora|Embelia ribes |
Gen=Others|Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Cytochrome P450 2C19 - Homo sapiens | Pyruvate kinase - Leishmania mexicana | Pyruvate kinase isozymes M1/M2 - Homo sapiens | Cytochrome P450 2D6 - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Cytochrome P450 3A4 - Homo sapiens | Nuclear factor NF-kappa-B p105 subunit - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Cytochrome P450 1A2 - Homo sapiens| |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|ileocecal colorectal adenocarcinoma |Melanoma|Murine Melanoma|Gen=Others |
3D viewer |
Pubchem |
5YX4 1FP1 4RLU |
425 |
No Cas |
C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O |
DXDRHHKMWQZJHT-UHFFFAOYSA-N |
256.07000 |
C15H12O4 |
-1.2836 |
1 |
3 |
77.76 |
6.0 |
19 |
2 |
Studies on cancer chemoprevention by traditional folk medicines XXV. Inhibitory effect of isoliquiritigenin on azoxymethane-induced murine colon aberrant crypt focus formation and carcinogenesis.|Isoliquiritigenin inhibits the growth of prostate cancer.|Effects of phosphodiesterase 3,4,5 inhibitors on hepatocyte cAMP levels, glycogenolysis, gluconeogenesis and susceptibility to a mitochondrial toxin.|The inhibitory effects of flavonoids and antiestrogens on the Glut1 glucose transporter in human erythrocytes.|The plant polyphenol butein inhibits testosterone-induced proliferation in breast cancer cells expressing aromatase.|CYP3A4 inhibitors isolated from Licorice. |
1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one|Spectrum_000145|SpecPlus_000762|Spectrum2_000875|Spectrum3_001656|Spectrum4_001756|KBioGR_002232|KBioSS_000625|DivK1c_006858|SPBio_000949|AC1L197D|CHEMBL3183256|CTK7J9143|KBio1_001802|KBio2_000625|KBio2_003193|KBio2_005761|KBio3_002631|KS-00000UFL|DXDRHHKMWQZJHT-UHFFFAOYSA-N|HMS3656C17|AKOS030228126|MCULE-2961278599|NCGC00090504-10|FT-0627421| |
| Methyl Tanshinonate |
natural product |
Salvia castanea|Salvia miltiorrhiza|Radix salviae|Salvia trijuga|Salvia prionitis|Salvia przewalskll |
Protease - Human immunodeficiency virus 1 | SARS coronavirus 3C-like proteinase - SARS coronavirus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
14610613 |
18887-19-9 |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C(=O)OC |
YFDKIHAZVQFLRC-FQEVSTJZSA-N |
338.12000 |
C20H18O5 |
0.0805 |
4 |
0 |
73.58 |
5.0 |
25 |
4 |
Abietane diterpenes from Salvia miltiorrhiza inhibit the activation of hypoxia-inducible factor-1.|Tanshinones as selective and slow-binding inhibitors for SARS-CoV cysteine proteases.|Biological evaluation of tanshindiols as EZH2 histone methyltransferase inhibitors. |
|
| Tagitinin C |
natural product |
Tithonia diversifolia |
Path=PARP1 pathway|MAPK14 pathway|N/A|Transcriptional activator Myb - Gallus gallus |Org= Plasmodium falciparum |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Org=Plasmodium falciparum |
3D viewer |
Pubchem |
|
11256548 |
59979-56-5 |
CC1=CC2C(C(CC(C=CC1=O)(C)O)OC(=O)C(C)C)C(=C)C(=O)O2 |
DUQSSEQKLJQACA-FESGBCJUSA-N |
348.16000 |
C19H24O6 |
1.6185 |
6 |
1 |
89.90 |
8.0 |
25 |
2 |
Antimalarials from nature.|Natural sesquiterpene lactones as inhibitors of Myb-dependent gene expression: structure-activity relationships.|Phytotoxins from Tithonia diversifolia.|Identification of tagitinin C from Tithonia diversifolia as antitrypanosomal compound using bioactivity-guided fractionation. |
|
| Kamebakaurin |
natural product |
Isodon rubescens|Rabdosia excisa|Physalis angulata|Rubus hirsutus|Jungia spectabilis|Elateriospermum tapos|Erysimum marschallianum|Chenopodium vulvaria|Isodon japonica|Rabdosia longituba|Isodon umbrosa var. latifolia|Isodon kameba|Trachycladiella aurea|Ophiarachna incrassata|Alternaria tagetica|Pyrobaculum neutrophilum|Physalis viscosa|Tricholoma orirubens|Caulerpa flexilis|Artemisia indica|Micromonospora lacustris|Aiphanes horrida|Halleria lucida|Erigeron breviscapus|Isodon serra |
|
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |murine lymphoblastoid cell|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma |
3D viewer |
Pubchem |
|
13945489 |
73981-34-7 |
CC1(CCC(C2(C1CC(C34C2CCC(C3O)C(=C)C4=O)O)CO)O)C |
WHSUEVLJUHPROF-BIGDWJEQSA-N |
350.21000 |
C20H30O5 |
-1.5848 |
5 |
4 |
97.99 |
7.0 |
25 |
4 |
Kaurane diterpene, kamebakaurin, inhibits NF-kappa B by directly targeting the DNA-binding activity of p50 and blocks the expression of antiapoptotic NF-kappa B target genes.|Anti-inflammatory effect of kamebakaurin in in vivo animal models.|Pharmacological inhibitors of NF-kappaB accelerate apoptosis in chronic lymphocytic leukaemia cells.|Intracellular replication of Edwardsiella tarda in murine macrophage is dependent on the type III secretion system and induces an up-regulation of anti-apoptotic NF-kappaB target genes protecting the macrophage from staurosporine-induced apoptosis.|Anti-neuroinflammatory activity of Kamebakaurin from Isodon japonicus via inhibition of c-Jun NH-terminal kinase and p38 mitogen-activated protein kinase pathway in activated microglial cells.|Inhibition of TAK1 by kamebakaurin in dendritic cells. |
|
| Monotiporic Acid A |
natural product |
Montipora digitata |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
177348 |
179600-04-5 |
CCCCCCCC#CC#CCOCC(=O)O |
FNMQEBVGAFDLDK-UHFFFAOYSA-N |
236.14000 |
C14H20O3 |
-0.7296 |
3 |
1 |
46.53 |
10.0 |
17 |
0 |
|
|
| Wuweizisu B |
natural product |
Schisandra chinensis|Schisandra fructus|Kadsura coccinea|Tripterygium wilfordii|Glycyrrhiza glabra|Schisandra rubriflora|Nicotiana undulata|Coreopsis nodosa|Streptomyces flocculus|Glycine tomentella|Tripolium pannonicum|Haematococcus lacustris|Senecio paludaffinis|Panax schinseng|Saccharomyces pastori|Hypoxylon rubiginosum|Tachigalia paniculata|Trigonella grandiflora|Pterocladiella tenuis|Uvaria calamistrata|Alstonia muelleriana|Passiflora incarnata|Dacrydium cupressinum|Artemisia cina|Tripterygii radix|Kadsurae coccineae radix et caulis|Schisandra sphenanthera|Panax ginseng |
Path=ATM pathway|ATR pathway|ATRIP pathway|PIK3CA pathway|MTOR pathway|BRCA1 pathway|CHEK1 pathway|SMC1A pathway|TP53 pathway|MAPK1 pathway|MAPK3 pathway|Gen=ATM/ATR,P-gp|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus |
Dis=Breast Cancer|Ductal Adenocarcinoma|Breast Carcinoma|Chronic Myelogenous Leukemia|Head and Neck Cancers|epidermoid carcinoma of the nasopharynx|Hepatobiliary Cancer|Hepatocellular Carcinoma|Kidney Cancer|Embryonic Kidney Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=PI3K/Akt/mTOR |
3D viewer |
Pubchem |
|
158103 |
No Cas |
CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)OC)OC)OCO3 |
RTZKSTLPRTWFEV-OLZOCXBDSA-N |
400.19000 |
C23H28O6 |
0.3993 |
0 |
0 |
55.38 |
10.0 |
29 |
4 |
Effects of oxygen radicals on the conformation of sulfhydryl groups on human polymorphonuclear leukocyte membranes.|Schisandrin B protects against carbon tetrachloride toxicity by enhancing the mitochondrial glutathione redox status in mouse liver.|Hepatoprotective mechanism of schisandrin B: role of mitochondrial glutathione antioxidant status and heat shock proteins.|Hepatoprotective action of schisandrin B against carbon tetrachloride toxicity was mediated by both enhancement of mitochondrial glutathione status and induction of heat shock proteins in mice.|Antioxidative effect of schisanhenol on human low density lipoprotein and its quantum chemical calculation.|Schisandrin B protects myocardial ischemia-reperfusion injury partly by inducing Hsp25 and Hsp70 expression in rats. |
gomisin N|Schizandrin B|Isokadsuranin|Wuweizisu B|Schisandrin B|69176-52-9|(+)-Schisandrin B|Deoxygomisin A|(+)-gamma-Schizandrin|UNII-DKO6O75Z5V|82467-52-5|Gamma-schizandrin|AC1L4JAK|DKO6O75Z5V|61281-37-6|CHEBI:4410|gamma-Schisandrin|(-)-Gomisin N|( )-Schisandrin B|Gomisin-N|(+)-schizandrin B|Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxole, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, (6R,7S,13aR)-|SCHEMBL713266|CHEMBL402435|DTXSID10231747|CHEBI:132471|MolPort-005-938-573|RTZKSTLPRTWFEV-OLZOCXBDSA-N|ZINC1531911|AKOS015965220|ACN-035658|API0019587|64121-95-5|AC-20310|Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxole, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, (6R,7S,13aS)-|FT-0650806|N1656|C10555|UNII-02XA4X3KZW component RTZKSTLPRTWFEV-OLZOCXBDSA-N|(6R,7S13aR)-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydro-11H-benzo3',4'cycloocta1',2':4,5benzo1,2-d1,3dioxole| |
| Diospyrin |
natural product |
Diospyros montana|Berrya mollis|Inga oerstediana|Jacaranda glabra|Dracocephalum peregrinum|Gutierrezia texana |
Path=ROS pathway|Org=Mus musculus | Mycobacterium tuberculosis |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Ehrlich Ascites Carcinoma (EAC)|Melanoma|malignant melanoma|Org=Mus musculus | Mycobacterium tuberculosis |
3D viewer |
Pubchem |
|
308140 |
28164-57-0 |
CC1=CC(=C2C(=C1)C(=O)C(=CC2=O)C3=C(C=C4C(=O)C=CC(=O)C4=C3O)C)O |
WRFTYMHHWSAKSK-UHFFFAOYSA-N |
374.08000 |
C22H14O6 |
-0.2719 |
4 |
2 |
108.74 |
5.0 |
28 |
4 |
Diospyrin, a bisnaphthoquinone: a novel inhibitor of type I DNA topoisomerase of Leishmania donovani.|Antibacterial activity of diospyrin, isodiospyrin and bisisodiospyrin from the root of Diospyros piscatoria (Gurke) (Ebenaceae).|Sensitive high-performance thin-layer chromatographic method for the estimation of diospyrin, a tumour inhibitory agent from the stem bark of Diospyros montana Roxb.|Inhibition of drug-sensitive and drug-resistant strains of Mycobacterium tuberculosis by diospyrin, isolated from Euclea natalensis.|Synthesis of plumbagin derivatives and their inhibitory activities against Ehrlich ascites carcinoma in vivo and Leishmania donovani Promastigotes in vitro.|Antimycobacterial activity of diospyrin derivatives and a structural analogue of diospyrin against Mycobacterium tuberculosis in vitro. |
Diospyrin|Euclein|28164-57-0|UNII-O0IQZ8B2R7|O0IQZ8B2R7|CHEBI:4633|1',5-Dihydroxy-3',7-dimethyl-(2,2'-binaphthalene)-1,4,5',8'-tetrone|2,2'-Binaphthalene-1,4,5',8'-tetrone, 1',5-dihydroxy-3',7-dimethyl-|CCRIS 7335|(2,2'-BINAPHTHALENE)-1,4,5',8'-TETRONE, 1',5-DIHYDROXY-3',7-DIMETHYL-|Diospyrin (7CI)|NSC 208730|BRN 1297556|AC1L7CAB|C10332|CHEMBL242550|BDBM93038|DTXSID30182429|WRFTYMHHWSAKSK-UHFFFAOYSA-N|NSC208730|NSC-208730|5,5'-Dihydroxy 7,7'-binaphthoquinone|2,4,5',8'-tetrone, 1',5-dihydroxy-3',7-dimethyl-|5-hydroxy-2-(1-hydroxy-3-methyl-5,8-dioxo-2-naphthyl)-7-methyl-naphthalene-1,4-dione|5-hydroxy-6-(5-hydroxy-7-methyl-1,4-dioxonaphthalen-2-yl)-7-methylnaphthalene-1,4-dione|27939-56-6| |
| Isodonal |
natural product |
Isodon sinuolata|Isodon japonica|Isodon rubescens var. lushanensis|Rabdosia macrophylla |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Prostate Cancer|Prostate Adenocarcinoma |
3D viewer |
Pubchem |
|
442047 |
No Cas |
CC(=O)OCC12C(CCC(C1C=O)(C)C)OC(=O)C34C2C(CC(C3)C(=C)C4=O)O |
QKDLQFSLLCQTOH-MVVUPFSZSA-N |
404.18000 |
C22H28O7 |
-0.722 |
7 |
1 |
106.97 |
8.0 |
29 |
4 |
|
|
| 2''',5'''-Episilvestrol |
natural product |
Aglaia silvestris|Aglaia foveolata| |
Path=CCNA2 pathway|TP53 pathway|ATF1 pathway|ATF2 pathway|ATF3 pathway|ATF5 pathway|BAK1 pathway|BCL2L1 pathway|CASP10 pathway|CASP2 pathway|CASP4 pathway|CASP9 pathway|CDKN1A pathway|E2F1 pathway|E2F2 pathway|EP300 pathway|GADD45B pathway|GAS1 pathway| |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Breast Cancer|Ductal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Prostate Cancer|Prostate Adenocarcinoma|Breast Cancer |
3D viewer |
Pubchem |
|
11607102 |
No Cas |
COC1C(OC(CO1)C(CO)O)OC2=CC(=C3C(=C2)OC4(C3(C(C(C4C5=CC=CC=C5)C(=O)OC)O)O)C6=CC=C(C=C6)OC)OC |
GVKXFVCXBFGBCD-CABMIHONSA-N |
654.23000 |
C34H38O13 |
-3.3108 |
9 |
4 |
171.83 |
19.0 |
47 |
6 |
|
|
| Callyspongenol B |
natural product |
Callyspongia spp |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Cervical Cancer|Cervical Adenocarcinoma |
3D viewer |
Pubchem |
|
10357825 |
No Cas |
C#CC=CCCCCCCC#CC#CCCCC=CC#CCO |
QZOMSTWCVSLZGH-WLXZLGQWSA-N |
306.20000 |
C22H26O |
2.219 |
1 |
1 |
20.23 |
10.0 |
23 |
0 |
|
|
| Cinchonine |
natural product |
Cinchona spp |
Gen=Others|Glucose transporter - Homo sapiens | Glucose transporter - Leishmania mexicana | Hexose transporter 1 - Plasmodium falciparum | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Geminin - Homo sapiens | Cytochrome P450 2D6 - Homo sapiens | Reverse transcriptase - Human immunodeficiency virus 1 | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus |Org= Plasmodium falciparum | Trypanosoma brucei brucei | Plasmodium falciparum 3D7 | Plasmodium falciparum (isolate K1 / Thailand) |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Chronic Myelogenous Leukemia|Gen=Angiogenesis |
3D viewer |
Pubchem |
|
90454 |
118-10-5 |
C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O |
KMPWYEUPVWOPIM-QAMTZSDWSA-N |
294.17000 |
C19H22N2O |
-0.4618 |
3 |
1 |
36.36 |
4.0 |
22 |
2 |
Cinchonine, a potent efflux inhibitor to circumvent anthracycline resistance in vivo.|Evaluation of natural products as inhibitors of human immunodeficiency virus type 1 (HIV-1) reverse transcriptase.|Phase I study of cinchonine, a multidrug resistance reversing agent, combined with the CHVP regimen in relapsed and refractory lymphoproliferative syndromes.|Pharmacokinetics of idarubicin in the isolated perfused rat lung: effect of cinchonine and rutin.|Microsphere-based protease assays and screening application for lethal factor and factor Xa.|Pharmacological strategies for overcoming multidrug resistance. |
cinchonine|118-10-5|(+)-Cinchonine|D-Cinchonine|(8R,9S)-Cinchonine|(+)-Cinconine|TCMDC-123933|(1S)-Quinolin-4-yl((2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol|Cinchonan-9-ol, (9S)-|UNII-V43X79NZCD|(9S)-Cinchonan-9-ol|(+)-cinchonin|GNF-Pf-3189|V43X79NZCD|CHEBI:27509|AK-72975|A1-00198|NSC6176|.alpha.-Quinidine|NSC 6176|EINECS 204-234-6|(S)-Quinolin-4-yl-(5-vinyl-1-aza-bicyclo2.2.2oct-2-yl)-methanol|(+)-Quinolin-4-yl(5-vinylquinuclidin-2-yl)methanol|AI3-09058|Cinchonine monohydrochloride dihydrate|2-Quinuclidinemethanol, alpha-4-quinolyl-5-vinyl-|2-Quinuclidinemethanol, alpha-(5-vinyl-2-quinolyl)-|cinchonin|NSC-6176|MFCD00064372|CINCHORINE|PubChem7961|alpha-(5-Vinyl-2-quinuclidinyl)-4-quinolinemethanol|Prestwick3_000608|2-Quinuclidinemethanol, .alpha.-4-quinolyl-5-vinyl-|(+)-Cinchonine, 85%|AC1L3K0U|AC1Q4XW4|(+)-Cinchonine; >99%|BSPBio_000516|MLS002153907|SCHEMBL158394|(S)-quinolin-4-yl((1S,2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol|AC1Q59P4|BPBio1_000568|CHEMBL588619|MEGxp0_001905|ACon0_001352|ACon1_000336|KMPWYEUPVWOPIM-QAMTZSDWSA-N|MolPort-001-742-609|HMS2096J18|HMS2235N18|HY-Y0152|ZINC3881680|(+)-Cinchonine, analytical standard|BDBM50370411|AKOS015895982|EBD2201796|NCGC00169174-01|NCGC00169174-02|NCGC00262542-03|DS-15267|NCI60_005298|SC-00505|SMR001233256|AX8121328|Cinchonine, crystallized, >=98.0% (NT)|AB00374715|CS-0008420|ST24026039|WLN: T66 BNJ EYQ-DT66 A B CNTJ A1U1|I06-1233|BRD-K90268819-001-03-4|2-Quinuclidinemethanol, .alpha.-(5-vinyl-2-quinolyl)-|NCGC00262542-03_C19H22N2O_(9S)-Cinchonan-9-ol|(S)-4-quinolyl-(2R,4S,5R)-5-vinylquinuclidin-2-ylmethanol|(S)-quinolin-4-yl((2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol|(S)-(2R,4S,5R)-5-ethenyl-1-azabicyclo2.2.2octan-2-yl-quinolin-4-ylmethanol|1236363-47-5|185122-83-2|201406-15-7|24831-03-6|887770-70-9|896440-46-3|898337-50-3|898814-05-6|900786-85-8|909881-46-5|910892-13-6| |
| Flavone |
bioactive compound |
Lonchocarpus spp|Trifolium alexandrinum|Commelina communis|Ceratophyllum submersum|Carpobrotus edulis|Swertia hickinii|Plutella xylostella|Tilletia laevis|Daedaleopsis confragosa|Phoenix dactylifera|Epicoccum nigrum|Mahoniae caulis|Oroxylum indicum|Dracocephalum kotschyi|Ginkgo semen|Herba desmodii styracifolii|Lippia carviodora|Mahoniae eadix|Ilex rotunda|Radix tetrastigmatis hemsleyani|Aplysina cauliformis|Mahoniae folum|Rhizoma paridis|Amycolatopsis azurea|Hippophae fructus|Folium aconiti szechenyiani|Parmelia metastrigosa|Gleditsiae spina|Desmodium styracifolium|Oecophylla smaragdina|Streptomyces venezuelae|Primula pulverulenta|Lespedeza homoloba|Pericarpium citri reticulatae viride|Primula farinosa|Hemerocallis minor|Chamaemelum nobile|Psilostrophe cooperi|Schkuhria multiflora|Folium aconiti|Brucea javanica|Anthocleista grandiflora|Orgyia australis postica|Lolium perenne|Sideritis tragoriganum|Pneumatospora obcoronata|Cephalonomia gallicola|Centrolobium tomentosum|Myrica nana|Asplenium normale|Chrysanthemum morifolium|Yponomeuta malinellus|Helleborus caucasicus|Solanum jamaicense|Castanea crenata|Chelidonura fulvipunctata|Hypoestes serpens |
Gen=Others|Calmodulin - Homo sapiens | DNA-dependent protein kinase - Homo sapiens | Geminin - Homo sapiens | Androgen Receptor - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Poly [ADP-ribose] polymerase-1 - Homo sapiens | Tankyrase-2 - Homo sapiens | Survival motor neuron protein - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Nuclear receptor ROR-gamma - Homo sapiens | Xanthine dehydrogenase - Bos taurus | Nuclear receptor subfamily 1 group I member 2 - Rattus norvegicus | 11-beta-hydroxysteroid dehydrogenase 1 - Homo sapiens | Adenosine A3 receptor - Homo sapiens | ATP-binding cassette sub-family G member 2 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Carbonic anhydrase I - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Glucagon-like peptide 1 receptor - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Retinoid X receptor alpha - Homo sapiens | Nuclear factor NF-kappa-B p105 subunit - Homo sapiens | Ras-related protein Rab-9A - Homo sapiens | Tankyrase-1 - Homo sapiens | Adenosine A1 receptor - Rattus norvegicus | P-glycoprotein 1 - Homo sapiens | Glucocorticoid receptor - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Monoamine oxidase A - Homo sapiens | Carbonic anhydrase IX - Homo sapiens | Aryl hydrocarbon receptor - Homo sapiens | Aminopeptidase N - Homo sapiens | Epidermal growth factor receptor erbB1 - Homo sapiens | Triosephosphate isomerase, glycosomal - Trypanosoma cruzi | Niemann-Pick C1 protein - Homo sapiens | Heat shock protein beta-1 - Homo sapiens | Estradiol 17-beta-dehydrogenase 2 - Homo sapiens | Carbonic anhydrase XII - Homo sapiens | Interleukin-8 - Homo sapiens | Androgen Receptor - Rattus norvegicus | Cytochrome P450 19A1 - Homo sapiens | Carbonic anhydrase II - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Cyclooxygenase-2 - Mus musculus | Estradiol 17-beta-dehydrogenase 1 - Homo sapiens |Org= Rattus norvegicus | Trypanosoma cruzi | Spodoptera litura | Dermatophagoides pteronyssinus | Filobasidiella neoformans | Plasmodium falciparum | Candida parapsilosis | Human immunodeficiency virus 1 | Aspergillus niger |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Prostate Cancer|Prostate Adenocarcinoma|Gen=Others |
3D viewer |
Pubchem |
3BPT 2HCK 4LMU 3LJ0 |
10680 |
525-82-6 |
C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2 |
VHBFFQKBGNRLFZ-UHFFFAOYSA-N |
222.24000 |
C15H10O2 |
3.136 |
2 |
0 |
26.30 |
1.0 |
17 |
3 |
Flavone, a class of flavonoids, mainly found in spices and red or purple plant foods with antioxidant, anti-proliferative, anti-tumor, anti-microbial, estrogenic, acetyl cholinesterase, anti-inflammatory activities and are also used in cancer, cardiovascular disease, neurodegenerative disorders etc. |
2-Phenylchromone, 2-Phenyl-4-chromone, 2-Phenyl-4-benzopyron |
| Gymnasterone B |
natural product |
Gymnascella dankaliensis |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
24179237 |
No Cas |
CC(C)C(C)C=CC(C)C1CC2C3(C1(CCC4C3=CC(=O)C5C4(CCC(=O)C5)C)C)O2 |
NMGBSMCZPMYTKL-DBRZCXIFSA-N |
424.30000 |
C28H40O3 |
1.3961 |
3 |
0 |
46.67 |
10.0 |
31 |
5 |
|
|
| (1R,3R,4S,5S)-3-[(E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoyl]Oxy-1,4,5-Trihydroxycyclohexane-1-Carboxylic Acid |
natural product |
Plantago major|Hedeoma drummondii|Euonymus alatus |Lonicera japonica|Flos lonicerae|Uvaria chamae |
Path=MMP9 pathway|MAPK14 pathway|MAPK8 pathway|Gen=Others|Lysine-specific demethylase 4D-like - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Gen=Others |
3D viewer |
Pubchem |
5GMU |
11870310 |
No Cas |
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
CWVRJTMFETXNAD-XGVQRKRESA-N |
354.10000 |
C16H18O9 |
-2.1962 |
7 |
6 |
164.75 |
11.0 |
25 |
2 |
|
|
| Xanthoxyletin |
natural product |
Zanthoxylum americanum|Rhizobium phaseoli|Catharanthus roseus|Citrus hassaku|Bursaria spinosa|Pluchea dioscoridis|Peucedanum rubricaule|Anagallis arvensis|Palythoa tuberculosa|Hansenia weberbaueriana|Bassia butyracea|Gardenia fosbergii|Heracleum lanatum var. asiaticum|Arnica nevadensis|Pastinaca sativa|Agnorhiza bolanderi|Cinnamomum tenuifolium|Seriphidium cinum|Petriella guttulata|Prunus laurocerasus|Echinops amplexicaulis|Dipterocarpus alatus|Citrus reticulata|Stevia alpina|Pleurospermum rivulorum|Asterolasia squamuligera|Vitex madiensis|Securidaca inappendiculata|Uncaria perrottetii|Cnidium monnieri|Beyeria brevifolia|Cladonia evansii|Citrus tamurana|Streptomyces violaceochromogenes|Phyllobates aurotaenia|Clausena excavata|Sesbania punicea|Drosera peltata|Clausena harmandiana|Senecio squalidus|Clonostachys rosea|Dendrosenecio kilimanjari|Anaxagorea clavata|Chromolaena odorata|Salvia officinalis|Notopterygium incisum|Chloranthus tianmushanensis|Stenostomum lucidum|Poncirus trifoliata|Fusarium gibbosum|Jaspis stellifera|Odixia angusta|Cnidii fructus|Angelica archangelica|Taxodium mucronatum|Quercus aegilops|Angelica taiwaniana|Aceriphyllum rossii|Moringa oleifera|Citrus junos|Alligator mississippiensis|Streptomyces althioticus|Pyrola rotundifolia|Coccus fagi|Pteris prolifera|Prosopis glandulosa|Aria pallescens|Lactarius scrobiculatus|Epaltes gariepina|Chromolaena pulchella|Kaempferia pulchra|Strophanthus eminii|Ficus formosana|Isodon kameba|Pseudopterogorgia kallos|Pyrosoma giganteum|Pheidole pallidula|Plumbago zeylanica|Pterocarpus grandiflorus|Stoeba extensa|Simira eliezeriana|Araujia sericifera|Citrus trifoliata|Ilex affinis|Artemisia monogyna |
Chromobox protein homolog 1 - Homo sapiens | Glucagon-like peptide 1 receptor - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | Luciferin 4-monooxygenase - Photinus pyralis | ATPase family AAA domain-containing protein 5 - Homo sapiens | Sphingomyelin phosphodiesterase - Homo sapiens | Carbonic anhydrase XIII - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Carbonic anhydrase VII - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Carbonic anhydrase IX - Homo sapiens | Carbonic anhydrase I - Homo sapiens | Carbonic anhydrase XII - Homo sapiens |Org= Plasmodium falciparum |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Org=Plasmodium falciparum |
3D viewer |
Pubchem |
|
66548 |
84-99-1 |
CC1(C=CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)C |
JSJIIHRNDMLJGK-UHFFFAOYSA-N |
258.09000 |
C15H14O4 |
1.126 |
1 |
0 |
44.76 |
4.0 |
19 |
3 |
Coumarins and carbazoles from Clausena excavata exhibited antimycobacterial and antifungal activities.|Microsphere-based protease assays and screening application for lethal factor and factor Xa.|Inhibitory effect of oxycoumarins isolated from the Thai medicinal plant Clausena guillauminii on the inflammation mediators, iNOS, TNF-alpha, and COX-2 expression in mouse macrophage RAW 264.7.|Isolation of xanthyletin, an inhibitor of ants' symbiotic fungus, by high-speed counter-current chromatography.|High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.|Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
Xanthoxyletin|Xanthoxylin N|84-99-1|UNII-69MPX4M5VD|69MPX4M5VD|CHEBI:69929|5-Methoxy-8,8-dimethyl-2H,8H-pyrano3,2-gchromen-2-one|Xanthoxyloin|NSC 35542|AC1L25MC|MLS000876794|CHEMBL501358|MEGxp0_001370|SCHEMBL5793283|ACon1_000545|DTXSID70232891|MolPort-001-741-750|HMS2269F07|NSC35542|ZINC1668225|BDBM50428432|NSC-35542|AKOS032962595|MCULE-7060224168|NCGC00168976-01|NCI60_003203|SMR000440571|5-methoxy-2,2-dimethylpyrano3,2-gchromen-8-one|5-methoxy-2,2-dimethyl-pyrano3,2-gchromen-8-one|BRD-K28556256-001-01-3|2H,2-b:5,4-b'dipyran-2-one, 5-methoxy-8,8-dimethyl-|2-Propenoic acid,2-dimethyl-2H-1-benzopyran-6-yl)-, .delta.-lactone|2H,8H-Benzo(1,2-b:5,4-b')dipyran-2-one, 5-methoxy-8,8-dimethyl-|5-Methoxy-8,8-dimethyl-2H,8H-benzo1,2-b:5,4-b'dipyran-2-one,9CI|NCGC00168976-02!5-methoxy-2,2-dimethylpyrano3,2-gchromen-8-one| |
| Diallyl Sulfide |
natural product |
Allium sativum|Capsici fructus|Allii sativi bulbus|Allii fistulost bulbus|Allium chinense|Allium macrostemon|Allium fistulosum|Bulbus allii fistulosi|Libocedrus decurrens|Allium cepa|Rhodospirillum rubrum|Homo sapiens|Loranthus parasiticus|Lobophytum schoedei|Isoplexis sceptrum|Colpomenia sinuosa|Olea europaea|Anemone tomentosa|Berberis integerrima|Elephantopus angustifolius|Sabia japonica|Ovibos moschatus|Chrysosplenium americanum|Aniba megaphylla|Eritrichium sericeum|Sarcocephalus latifolius|Woodsia manchuriensis|Streptomyces pentaticus|Streptomyces argenteolus|Bohadschia vitiensis|Herbertus sakuraii|Aplophyllum pedicellatum|Phlogacanthus tubiflorus |
Path=BCL2 pathway|BIRC2 pathway|BIRC3 pathway|BIRC5 pathway|CAST pathway|XIAP pathway|NFKB1 pathway|BAX pathway|CAD pathway|CASP3 pathway|CASP9 pathway|MAPK14 pathway|MAPK8 pathway|DFFA pathway|NFKBIA pathway|MAP3K3 pathway|MAPK1 pathway|MAPK3 pathway|MAPK9 pathway|MMP2 pathway|MMP7 pathway|N/A|PTGS2 pathway|Survival motor neuron protein - Homo sapiens | Transient receptor potential cation channel subfamily A member 1 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Central Nervous System Cancers|Glioblastoma|Neuroblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Non-small Cell Lung Cancer|large cell carcinoma|Lung Lymph Node Carcinoma |
3D viewer |
Pubchem |
|
11617 |
592-88-1 |
C=CCSCC=C |
UBJVUCKUDDKUJF-UHFFFAOYSA-N |
114.05000 |
C6H10S |
2.0288 |
0 |
0 |
25.30 |
4.0 |
7 |
0 |
Modulation of N-nitrosomethylbenzylamine bioactivation by diallyl sulfide in vivo.|Alterations in hepatic phase I and phase II biotransformation enzymes by garlic oil in rats.|Initiation and post-initiation chemopreventive effects of diallyl sulfide in esophageal carcinogenesis.|Combination of blocking agents and suppressing agents in cancer prevention.|Metabolism of carcinogenic nitrosamines by rat nasal mucosa and the effect of diallyl sulfide.|Chemoprevention of N-nitrosomethylbenzylamine-induced esophageal cancer in rats by the naturally occurring thioether, diallyl sulfide. |
DIALLYL SULFIDE|Allyl sulfide|592-88-1|diallylsulfide|Thioallyl ether|1-Propene, 3,3'-thiobis-|Oil garlic|Allyl monosulfide|Diallyl thioether|Diallyl monosulfide|Diallyl sulphide|2-Propenyl sulphide|3,3-Thiobis(1-propene)|NSC 20947|di-2-Propenyl sulfide|Allyl sulphide|UNII-60G7CF7CWZ|Dially monosulfide|FEMA No. 2042|C6H10S|CCRIS 3252|HSDB 7333|3-Allylsulfanyl-propene|EINECS 209-775-1|3-allylsulfanylprop-1-ene|BRN 1736016|60G7CF7CWZ|3-(prop-2-en-1-ylsulfanyl)prop-1-ene|AI3-18865|CHEBI:4489|CHEMBL170458|UBJVUCKUDDKUJF-UHFFFAOYSA-N|MFCD00008658|Allyl sulfide, 98%|1-prop-2-enylthioprop-2-ene|Q-100687|diallylsulfane|Diallyl thioather|Allyl sulfide, 97%|AC1L1XQU|Spectrum2_000837|Spectrum3_001991|1-Propene,3'-thiobis-|4-Thia-1,6-heptadiene|ACMC-209mc0|SCHEMBL45800|1-Propene,3,3'-thiobis-|BSPBio_003591|Prop-1-ene-3,3'-thiobis|4-01-00-02097 (Beilstein Handbook Reference)|KSC490I9L|(CH2=CHCH2)2S|3,3'-thiobis(prop-1-ene)|3-(Allylsulfanyl)-1-propene|SPECTRUM1505293|SPBio_000793|Allyl sulfide, >=97%, FG|WLN: 1U2S2U1|DTXSID6060470|3-(Allylsulfanyl)-1-propene #|CTK3J0495|FEMA 2042|KBio3_003027|3-prop-2-enylsulfanylprop-1-ene|3,3'-Thiobis-1-propene, 9CI|MolPort-003-665-654|Allyl sulfide, analytical standard|KS-00000X7D|NSC20947|ZINC1531083|7490AF|ANW-33214|BDBM50318452|CCG-40295|NSC-20947|paragraph signthornI(c)+/-u>>uAoAN|SBB060116|STL453662|AKOS015897442|FCH1115787|MCULE-7417537491|RP19166|RTC-020290|SDCCGMLS-0066835.P001|TRA0077955|NCGC00095345-01|NCGC00095345-02|AN-46219|CC-26436|CJ-05229|CJ-24086|LS-16414|DB-053358|TC-020290|A0235|FT-0624605|ST51046353|C08370|C-27437|SR-05000002373|I09-0131|SR-05000002373-1|Allyl sulfide, United States Pharmacopeia (USP) Reference Standard|InChI=1/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H|132879-26-6| |
| Ursolic Acid |
bioactive compound |
Origanum dictamnus|Plantago asiatica|Crataegus pinnatifida|Scrophularia ningpoensis|Prunus dulcis|Vaccinium macrocarpon|Rosmarinus officinalis|Ficus microcarpa|Aralia decaisneana|Eriobotrya japonica|Pygeum africanum|calceolaria pinifolia|Piper aequale|Isodon loxothyrsus|Viscum coloratum|Diospyros tricolor|Acrocomia sclerocarpa|Eriostemon deserti|Streptomyces roseoviolaceus|Brugmansia arborea|Abrus pulchellus subsp. cantoniensis|Senecio scandens|Alkanna hirsutissima|Ruta oreojasme|Monascus purpureus|Rhododendron barbatum|Clutia richardiana|Drypetes roxburghii|Melaleuca uncinata|Shigella flexneri|Avrainvillea nigricans|Mentha pulegiformis|Calea megacephala|Halopitys incurvus|Lecanora lividocinerea|Abies nobilis|Cordyline indivisa|Vinca major|Grindelia nana|Formica fusca|Picris radicata|Vitex trifolia|Bambusa chungii|Polyphaga sinensis|Rodgersia podophylla|Drymonia macrophylla|Schisandra lancifolia|Cremastra appendiculata|Hakea saligna|Gynura elliptica|Amsinckia menziesii|Jasminum grandiflorum|Urtica fissa|Psittacanthus cucullaris|Buddleja variabilis|Pinus picea|Didemnum inarmatum|Disepalum plagioneurum|Dipodium punctatum|Ostrinia nubilalis|Aromadendron elegans|Delphinium campylocentrum|Haloxylon salicornicum|Glenodinium halli|Relbunium atherodes|Gentiana pyrenaica|Bursatella leachi|Pycnocoma cornuta|Vallaris solanacea|Lesquerella auriculata|Laurencia caraibica|Osmundaria colensoi|Dacrydium biforme|Primula hirsuta|Leucanthemum maximum|Persea indica|Nephroma australe|Corydalis cornuta|Smenospongia echina|Coronophora gregaria|Scapania nemorea|Corynebacterium ammoniagenes|Viscum album|Relicina connivens|Fagara rubescens|Rhododendron ferrugineum|Dendrobates truncatus|Phegopteris bukoensis|Streptomyces coeruleorubidus|Leptothorax acervorum|Streptomyces misawanensis|Gloxinia erinoides|Eremophila serrulata|Campsis grandiflora| |
Path=CHUK pathway|IKBKB pathway|IL1B pathway|MMP9 pathway|NFKB1 pathway|TNF pathway|NFKBIA pathway|none|PTGS2 pathway|PARP1 pathway|MMP2 pathway|AR pathway|Gen=Others|Glycogen phosphorylase, muscle form - Oryctolagus cuniculus |Org= Staphylococcus aureus | Bacillus subtilis |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Mouse Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Bladder Cancer|Bladder carcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioma|Cervical Cancer|Cervical Carcinoma Papilloma |Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|Nasopharyngeal carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Hepatoma|Melanoma|Murine Melanoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Non-small Cell Lung Cancer|Bronchioalveolar Carcinoma|Lung Epithelial Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|Gen=Others |
3D viewer |
Pubchem |
5K3M 5X8S |
64945 |
77-52-1 |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O |
WCGUUGGRBIKTOS-UHFFFAOYSA-N |
456.70000 |
C30H48O3 |
6.327 |
1 |
1 |
57.50 |
1.0 |
33 |
5 |
Ursolic acid (Malol) is a pentacyclic triterpene acid, used in cosmetics. |
NSC 167406, NSC-4060 |
| Gambogic Acid |
natural product |
Garcinia hanburyi|Garcinia hanburryi|Chirita eburnea|Rhizomnium pseudopunctatum|Aglaomorpha coronans|Salix babylonica|Eclipta prostrata|Vernonanthura discolor|Microcosmus vulgaris|Phanerochaete velutina|Callitriche stagnalis|Prosopis nigra|Fasciola hepatica|Lobaria adusta|Millettia auriculata|Pteris glauca|Picria felterrae|Garcinia morella|Garcinia harburyi|Scleroderma tinctorium|Scrophularia glabrata|Fragaria chiloensis|Scleropyrum maingayi|Lysidice brevicalyx|Wrightia coccinea|Toxicodendron radicans|Croton discolor|Ruscus hypoglossum |
Path=BCL2 pathway|BCL2L1 pathway|BIRC2 pathway|BIRC3 pathway|CCND1 pathway|ICAM1 pathway|MMP9 pathway|MYC pathway|PTGS2 pathway|RELA pathway|TRAF1 pathway|VEGFA pathway|CDC2 pathway|CDK1 pathway|CKD7 pathway|MAPK14 pathway|MAPK8 pathway|Gen=Bcl-2,Caspase|Cruzipain - Trypanosoma cruzi | Arachidonate 15-lipoxygenase - Homo sapiens | Arachidonate 15-lipoxygenase, type II - Homo sapiens | Vitamin D receptor - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | 78 kDa glucose-regulated protein - Homo sapiens | Ferritin light chain - Equus caballus | Nuclear receptor ROR-gamma - Mus musculus | Histone acetyltransferase GCN5 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Survival motor neuron protein - Homo sapiens|Acetylcholinesterase - Electrophorus electricus | Thioredoxin, mitochondrial - Homo sapiens | Inhibitor of nuclear factor kappa B kinase beta subunit - Homo sapiens | Thioredoxin - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Induced myeloid leukemia cell differentiation protein Mcl-1 - Homo sapiens | Cholinesterase - Equus caballus |Org= Staphylococcus aureus |
Dis=Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Human umbilical vein endothelial cell|Non-small Cell Lung Cancer|Lewis Lung carcinoma |Gen=Apoptosis |
3D viewer |
Pubchem |
|
9852185 |
2752-65-0 |
CC(=CCCC1(C=CC2=C(O1)C(=C3C(=C2O)C(=O)C4=CC5CC6C4(O3)C(C5=O)(OC6(C)C)CC=C(C)C(=O)O)CC=C(C)C)C)C |
GEZHEQNLKAOMCA-RRZNCOCZSA-N |
628.30000 |
C38H44O8 |
3.7619 |
5 |
2 |
119.36 |
18.0 |
46 |
4 |
General gambogic acids inhibited growth of human hepatoma SMMC-7721 cells in vitro and in nude mice.|Gambogic acid inhibits proliferation of human lung carcinoma SPC-A1 cells in vivo and in vitro and represses telomerase activity and telomerase reverse transcriptase mRNA expression in the cells.|Anticancer effect and apoptosis induction of gambogic acid in human gastric cancer line BGC-823.|A role for transferrin receptor in triggering apoptosis when targeted with gambogic acid.|Inhibition of human telomerase reverse transcriptase gene expression by gambogic acid in human hepatoma SMMC-7721 cells.|Toxicological studies of gambogic acid and its potential targets in experimental animals. |
gambogic acid|2752-65-0|UNII-8N585K83U2|beta-Guttiferin|Cambogic acid|B''-Guttiferin|8N585K83U2|(-)-Gambogic Acid|CHEBI:67521|Gambogic-acid|R-gambogic acid|Gambogic acid;|C38H44O8|Gambogic acid(R+S);|CHEMBL555017|3-Iodo-5-nitro (1H)indazole|SCHEMBL16160279|GEZHEQNLKAOMCA-RRZNCOCZSA-N|MolPort-023-220-741|1,5-Methano-1H,3H,11H-furo(3,4-g)pyrano(3,2-b)xanthene-1-crotonic acid, 3a,4,5,7-tetrahydro-8-hydroxy-alpha,3,3,11-tetramethyl-13-(3-methyl-2-butenyl)-11-(4-methyl-3-pentenyl)-7,15-dioxo-, (Z)-|BCP21539|HY-N0087|ZINC3933041|BDBM50366237|s2448|AKOS024463359|CS-1456|AK160232|BP-22199|Gambogic acid, >=95% (HPLC), powder|AB0029018|G-250|X1145|(2Z)-2-Methyl-4-(1R,3aS,5S,11R,14aS)-3a,4,5,7-tetrahydro-8-hydroxy-3,3,11-trimethyl-13-(3-methyl-2-butenyl)-11-(4-methyl-3-pentenyl)-7,15-dioxo-1,5-methano-1H,3H,11H-furo3,4-gpyrano3,2-bxanthen-1-yl-2-butenoic acid.| |
| Euscaphic Acid |
natural product |
Perilla frutescens|Rubus sieboldii|Euscaphis japonica|Rosa laevigata|Cerbera dilatata|Ardisiae japonicae herba|Vitex negundo var. cannabifolia|Diphasiastrum alpinum|Potentillae discoloris herba|Dryopteris crassirhizoma|Potentillae chinensis herba|Glycine falcata|Polygala amarella|Siegesbeckiae herba|Scedosporium boydii|Mori cortex|Senecio sinuatus|Centella asiatica|Eriobotrya japonica|Benzoin praecox|Athanasia crithmifolia|Colchicum speciosum|Prunella vulgaris|Heliomeris multiflora|Spirographis spallanzani|Pygeum topengii|Salvia trijuga|Swertia angustifolia|Mortierella elongata|Glycyrrhiza kansuensis|Zieria smithii|Swertia japonica|Myliobatis aquila|Aspergillus foveolatus|Sanguisorba officinalis|Jacobaea subalpina|Inga longispica|Rosa sericea|Agathosma thymifolia|Achillea clypeolata|Rubus alceifolius|Crateva nurvala|Stephania sutchuenensis|Bridelia ferruginea|Henricia aspera|Quercus serrata|Rubus parviforlius|Morina longifolia|Kippistia suaedifolia|Doris verrucosa|Perovskia abrotanoides|Euphorbia franckiana|Agaricus hortensis|Lactobacillus casei|Eriobotrya deflexa|Berberis julianae|Unonopsis glaucopetala|Mycobacterium tuberculosis|Turbo argyrostoma|Tetraneuris acaulis|Piptoporus australiensis|Streptomyces lavendofoliae|Euonymus nanoides|Cneorum pulverulentum|Septoria pistaciarum|Ursinia alpina|Polygala amara|Pleogyne cunninghami|Streptomyces fumanus|Casimiroa tetrameria|Pelargonium reniforme|Neoshirakia japonica|Cardamine pinnata|Pyrola decorata|Geranium nepalense|Pleogyne cunninghamii|Codonocarpus australis|Haplopappus ciliatus|Diospyros verrucosa|Rubus rosa|Cissus quinquefolia|Hertia intermedia|Rhinella arenarum|Laburnum anagyroides|Uncaria gambier|Geum japonicum|Ligularia dentata|Bystropogon origanifolius|Picradeniopsis pringlei|Streptomyces odorifer|Rubus ellipticus|Schizonepeta multifida|Radix salviae |
Path=PAPOLA pathway|N/A|Solute carrier family 2, facilitated glucose transporter member 4 - Rattus norvegicus |Org= Human immunodeficiency virus 1 | Human rhinovirus 1B |
Dis=mouse tumor model|DMBA/TPA induced skin carcinoma|Acute Lymphoblastic Leukemia|peripheral blood cancer|Gastrointestinal Cancer|Gastric carcinoma|Org=Human immunodeficiency virus 1 | Human rhinovirus 1B |
3D viewer |
Pubchem |
|
471426 |
53155-25-2 |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1(C)O)C)C(=O)O |
OXVUXGFZHDKYLS-QUFHAEKXSA-N |
488.35000 |
C30H48O5 |
0.822 |
5 |
4 |
97.99 |
12.0 |
35 |
5 |
Naturally occurring conjugated octadecatrienoic acids are strong inhibitors of prostaglandin biosynthesis.|Antimycobacterial plant terpenoids.|Novel anti-inflammatory compounds from Rubus sieboldii, triterpenoids, are inhibitors of mammalian DNA polymerases.|Ursolic acid: a potent inhibitor of superoxides produced in the cellular system.|Phytochemical and analgesic activity of extract, fractions and a 19-hydroxyursane-type triterpenoid obtained from Rubus rosaefolius (Rosaceae).|Tormentic acid reduces vascular smooth muscle cell proliferation and survival. |
Euscaphic acid|53155-25-2|Jacarandic acid|CHEBI:67914|(2|A,3|A)-2,3,19-trihydroxyurs-12-en-28-oic acid|(1R,2R,4aS,6aR,6aS,6bR,8aR,10S,11R,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid|Acuminatic acid|AC1LAN39|AC1Q71BW|SCHEMBL869457|CHEMBL239075|MolPort-035-706-438|NSC733507|ZINC38143792|AKOS032948559|NSC-733507|W2594|C17890|(2alpha,3alpha)-2,3,19-trihydroxyurs-12-en-28-oic acid|Urs-12-en-28-oic acid,3,19-trihydroxy-, (2.alpha.,3alpha.)-|Urs-12-en-28-oic acid, 2,3,19-trihydroxy-, (2.alpha.,3.alpha.)-| |
| Eucalyptol |
bioactive compound |
Satureja montana |
Gen=Immunology & Inflammation related |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
|
2758 |
470-82-6 |
CC1(C2CCC(O1)(CC2)C)C |
WEEGYLXZBRQIMU-UHFFFAOYSA-N |
154.25000 |
C10H18O |
2.147 |
1 |
0 |
9.20 |
0.0 |
11 |
|
Eucalyptol is a natural organic compound which controls airway mucus hypersecretion and asthma via anti-inflammatory cytokine inhibition. |
1,8-cineol; 1,8-cineole|cajeputol; 1,8-epoxy-p-menthane; 1,8-oxido-p-menthane; cineol; cineole |
| 5-[(3R,3As,6S,6As)-3-(1,3-Benzodioxol-5-Yl)-1,3,3A,4,6,6A-Hexahydrofuro[3,4-C]Furan-6-Yl]-1,3-Benzodioxole |
natural product |
Zanthoxylum americanum|Sesamum indicum|Asiasarum heterotropoides|Asari radix et rhizoma|Eleutherococcus gracilistylus|Acanthopanax sessiliflorum|Asarum heterotropoides|Asarum sieboldii|Asiasarum sieboldii|Zanthoxylum piperitum|Zanthoxylum arnottianum|Paulownia tomentosa|Zanthoxylum decaryi|Zanthoxylum nitidum|Asarum heterotropoides var. mandshuricum|Garcinia oligantha|Aconitum episcopale|Pocillopora damicornis|Aromia moschata|Eucalyptus hybrid|Rubus trifidus|Parmelia vittata|Protaetia cuprea|Ardisia arborescens|Cacia concinna|Pagrus major|Iris spuria|Magnoliae flos|Sesami nigrum semen |
Path=AKT1 pathway|HIF1A pathway|IL6 pathway|IL8 pathway|MAPK14 pathway|MMP9 pathway|NFKB1 pathway|TNF pathway|VEGFA pathway|TFF1 pathway|BCL2 pathway|BIRC5 pathway|CCND1 pathway|ICAM1 pathway|NFKB2 pathway|NFKBIA pathway|RELA pathway|PTGS2 pathway|Gen=Others|Chromobox protein homolog 1 - Homo sapiens | TAR DNA-binding protein 43 - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Glucagon-like peptide 1 receptor - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | DNA polymerase iota - Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens|Glucagon-like peptide 1 receptor - Homo sapiens | Geminin - Homo sapiens | Parathyroid hormone receptor - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens|Cytochrome P450 2C9 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Cytochrome P450 2D6 - Homo sapiens | Cytochrome P450 2C19 - Homo sapiens |Cholinesterase - Equus caballus | Microtubule-associated protein tau - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Cytochrome P450 3A4 - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Multiple Myeloma|Plasmacytoma|Multiple Myeloma |Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Lung Epithelial Carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|prostate Carcinoma|mouse tumor model|mouse skin and pulmonary tumor|Gen=Others |
3D viewer |
Pubchem |
234D 235D 215D 2DES |
11869417 |
133-04-0 |
C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6 |
PEYUIKBAABKQKQ-FQZPYLGXSA-N |
354.11000 |
C20H18O6 |
-1.6034 |
2 |
0 |
55.38 |
2.0 |
26 |
6 |
Effects of sesamin on the fatty acid composition of the liver of rats fed N-6 and N-3 fatty acid-rich diet.|Protective effects of sesamin against liver damage caused by alcohol or carbon tetrachloride in rodents.|Sesame seed and its lignans produce marked enhancement of vitamin E activity in rats fed a low alpha-tocopherol diet.|Interaction of sesamin and eicosapentaenoic acid against delta 5 desaturation and n-6/n-3 ratio of essential fatty acids in rat.|Sesame lignans modulate cholesterol metabolism in the stroke-prone spontaneously hypertensive rat.|Inhibitory effects of shouseiryu-to on two-stage carcinogenesis. II. Anti-tumor-promoting activities of lignans from Asiasarum heterotropoides var. mandshuricum. |
(-)-Asarinin|Asarinin|133-04-0|UNII-333JW641ML|333JW641ML|Xanthoxyln S|CCRIS 8100|SCHEMBL6704290|CHEMBL1572261|MolPort-000-882-076|ZINC12375085|AKOS000278098|NCGC00017230-02|NCGC00142464-01|Y0033|133A040|UNII-F6PWY73ZGT component PEYUIKBAABKQKQ-FQZPYLGXSA-N|1,3-Benzodioxole, 5,5'-(tetrahydro-1H,3H-furo(3,4-c)furan-1,4-diyl)bis-, (1R-(1alpha,3aalpha,4beta,6aalpha))-|11000-37-6| |
| 1,6-O,O-Diacetylbritannilactone |
natural product |
Inula britannica|Rhynchosia volubilis|Inulae flos|Inula japonica |
Path=BID pathway|DFFA pathway|PARP1 pathway|CASP1 pathway|FAS pathway|FASLG pathway|BAX pathway|BCL2 pathway|BCL2L1 pathway|CASP3 pathway|CASP8 pathway|CASP9 pathway|MAPK14 pathway|MAPK8 pathway|MAPK9 pathway| |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Melanoma|Murine Melanoma |
3D viewer |
Pubchem |
|
10360513 |
No Cas |
CC1=C(C(C2C(C1)OC(=O)C2=C)OC(=O)C)C(C)CCCOC(=O)C |
MVCCWTMPDBIKCJ-IMKJFWDFSA-N |
350.17000 |
C19H26O6 |
0.7451 |
6 |
0 |
78.90 |
12.0 |
25 |
2 |
A sesquiterpenelactone from Inula britannica induces anti-tumor effects dependent on Bcl-2 phosphorylation. |
|
| Vibsanin Q |
natural product |
Viburnum awabuki|Agave rigidissima|Crassocephalum crepidioides|Centaurium pulchellum|Urechis caupo|Achillea roseoalba|Engelhardia spicata|Lonchocarpus oaxacensis|Ficus ruficaulis|Berberis japonica|Citrus trifolia|Pericopsis schliebenii|Ruta bracteosa|Isodon nervosus|Elysia grandifolia|Euplotes rariseta|Ulmus thomasii|Strychnos angustiflora|Narcissus pseudonarcissus subsp. leonensis|Miscanthus sacchariflorus|Heliotropium europaeum|Lecanora melanophthalma|Fasciospongia rimosa|Isodon xerophilus|Aspergillus aculeatus|Lonicera fulvotomentosa|Byssovorax cruenta |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
11154724 |
No Cas |
CC(=CC(=O)OC1C=CC(CC=C(CCC2C1(O2)C)CO)(C)CC=CC(C)(C)OC)C |
TVVRWBNLBVCRPH-XYBUGXQZSA-N |
432.29000 |
C26H40O5 |
3.2485 |
5 |
1 |
68.29 |
16.0 |
31 |
2 |
|
|
| Suberosol B |
natural product |
Subergorgia suberosa|Beilschmiedia erythrophloia |
Org=Mycobacterium tuberculosis |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Org=Mycobacterium tuberculosis |
3D viewer |
Pubchem |
|
10444136 |
No Cas |
CC1(CC2C1CC(C3(C(O3)CCC2=C)C)O)C |
FWFSLBQGEMBSLF-FTQJZPFOSA-N |
236.18000 |
C15H24O2 |
1.1481 |
2 |
1 |
32.76 |
4.0 |
17 |
3 |
|[Studies on chemical constituents of rhizome of Buddleia davidii]. |
|
| Amphidinolide H |
natural product |
Amphidinium sp |
|
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|Cervical Cancer|Cervical Carcinoma Papilloma |
3D viewer |
Pubchem |
|
10769258 |
No Cas |
CC1CC2C(O2)C=CCCC=C(C(=O)OC(CC(C(C(C(=O)CC(CC(C(=CC(=C)C1)C)C)O)O)O)C)CO)C |
XDBPWFXFEXURRX-BNWMDRMVSA-N |
562.35000 |
C32H50O8 |
2.0946 |
8 |
4 |
136.82 |
10.0 |
40 |
2 |
|
|
| Tirotundin |
natural product |
Tithonia diversifolia|Penicillium spiculisporum|Iris halophila|Trichocline caulescens|Picramnia hirsuta|Nidula niveotomentosa|Crypteronia paniculata|Lycopodium fastigiatum|Ulva rigida|Barleria prionitis|Astragalus falcatus|Premna oligotricha|Mycale izuensis|Alpinia javanica|Laurencia scoparia |
Nuclear factor NF-kappa-B p65 subunit - Homo sapiens | LXR-alpha - Homo sapiens | Bile acid receptor FXR - Homo sapiens | LXR-beta - Homo sapiens | Peroxisome proliferator-activated receptor gamma - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia |
3D viewer |
Pubchem |
|
9975297 |
56377-67-4 |
CC1CC2C(C(CC3(CCC1(O3)O)C)OC(=O)C(C)C)C(=C)C(=O)O2 |
VKWNXJLVNFOOOS-QNIDSSLUSA-N |
352.19000 |
C19H28O6 |
0.8295 |
6 |
1 |
82.06 |
8.0 |
25 |
3 |
Phytotoxins from Tithonia diversifolia. |
Tirotundin|56377-67-4|CHEMBL464453|GTPL8700|MEGxp0_000078|MolPort-039-052-526|BDBM50394803|ZINC40393738|AKOS032948657|4CN-1995 |
| 1,2,6A,6B,9,9,12A-Heptamethyl-10-Oxo-1,3,4,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-Octadecahydro-2H-Picene-4A-Carboxylic Acid |
natural product |
Myrica rubra|Ficus microcarpa|Strophanthus sarmentosus var. senegambiae|Strophanthus thollonii |
Gen=Others |
Dis=Acute Myeloid Leukemia|Basophilic Leukemia|Cervical Cancer|Cervical Carcinoma Papilloma |Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|Nasopharyngeal carcinoma|Gen=Others |
3D viewer |
Pubchem |
1N4F |
10939393 |
No Cas |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1C)C)C(=O)O |
MUCRYNWJQNHDJH-VTVIAGDMSA-N |
454.34000 |
C30H46O3 |
2.0535 |
3 |
1 |
54.37 |
9.0 |
33 |
5 |
|
|
| Bisleuconothine A |
natural product |
Leuconotis griffithii |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
46881778 |
No Cas |
CCC12CCCN3C1C4(CC3)C(CC2)NC5=C(C=CC(=C45)O)C6CC7(CCCN8C7C9=C(CC8)C1=CC=CC=C1N69)CC |
HHCOPHVLECRPRE-UQYJQATHSA-N |
576.38000 |
C38H48N4O |
-1.5951 |
4 |
2 |
43.67 |
6.0 |
43 |
10 |
Bisleuconothine A, an eburnane-aspidosperma bisindole alkaloid from Leuconotis griffithii.|Bisleuconothine A Induces Autophagosome Formation by Interfering with AKT-mTOR Signaling Pathway.|Bisleuconothine A, a bisindole alkaloid, inhibits colorectal cancer cell in vitro and in vivo targeting Wnt signaling. |
|
| Dihydroguaiaretic Acid |
natural product |
Myristica fragrans |
Transthyretin - Homo sapiens |Org= Caenorhabditis elegans |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Org=Caenorhabditis elegans |
3D viewer |
Pubchem |
|
161924 |
36469-60-0 |
CC(CC1=CC(=C(C=C1)O)OC)C(C)CC2=CC(=C(C=C2)O)OC |
ADFOLUXMYYCTRR-UHFFFAOYSA-N |
330.18000 |
C20H26O4 |
-0.115 |
0 |
2 |
58.92 |
13.0 |
24 |
2 |
Hydrolysis of the 2',3'-allylic epoxides of allylbenzene, estragole, eugenol, and safrole by both microsomal and cytosolic epoxide hydrolases.|Anti-inflammatory activity of croconazole, a broad-spectrum antimycotic agent, in the arachidonic acid-induced mouse ear swelling test.|Aluminum induces lipid peroxidation and aggregation of human blood platelets.|Inhibition of fos-jun-DNA complex formation by dihydroguaiaretic acid and in vitro cytotoxic effects on cancer cells.|Meso-dihydroguaiaretic acid from Machilus thunbergii SIEB et ZUCC., and its effects on the expression of matrix metalloproteinase-2, 9 cause by ultraviolet irradiated cultured human keratinocyte cells (HaCaT).|Inhibition of protein tyrosine phosphatase 1B by lignans from Myristica fragrans. |
Dihydroguaiaretic acid|4,4'-(2,3-dimethylbutane-1,4-diyl)bis(2-methoxyphenol)|36469-60-0|CCRIS 7923|Dihydroguayaretic acid|AC1L4QCM|Guaiacol, 4,4'-(2,3-dimethyltetramethylene)di-, meso-|AC1Q7AE2|4,4'-((2R,3S)-2,3-Dimethylbutane-1,4-diyl)bis(2-methoxyphenol)|SCHEMBL9087980|CHEMBL1976696|ACon1_001505|CTK8D5190|4-butanediylDihydroguaiaretic acid|ADFOLUXMYYCTRR-UHFFFAOYSA-N|Phenol, 4,4'-(2R,3S)-2,3-dimethyl-1,4-butanediylbis2-methoxy-, rel-|HMS3342F18|121209-88-9|BDBM50030892|NSC705084|AKOS032948494|NSC-705084|NCGC00180436-01|NCI60_037533|( inverted exclamation markA)-Dihydroguaiaretic Acid|BRD-A19129781-001-01-6|Phenol,4'-(2,3-dimethyl-1,4-butanediyl)bis2-methoxy-|4-4-(4-hydroxy-3-methoxy-phenyl)-2,3-dimethyl-butyl-2-methoxy-phenol|4-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl-2-methoxyphenol|2,3-Dimethyl-1-(3'-methoxy-4'-hydroxyphenyl)-4-(3''-methoxy-4''hydroxyphenyl)butane| |
| (2E,4E)-5-(1-Hydroxy-2,6,6-Trimethyl-4-Oxocyclohex-2-En-1-Yl)-3-Methylpenta-2,4-Dienoic Acid |
natural product |
Axinella polypoides|Citrus aurantium|Citrus natsudaidai|Citrus sinensis|Ecklonia kurome|Hordeum vulgare|Isatis tinctoria|Saccharina japonica|Lonicera japonica|Citrus trifoliata|Prunus davidiana|Prunus persica |
Gen=Others|Nuclear factor erythroid 2-related factor 2 - Homo sapiens |Org= Plasmodium falciparum |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|Acute Myeloid Leukemia|Gen=Others |
3D viewer |
Pubchem |
4MKV 3K3K 4DS8 4DSC |
5375200 |
No Cas |
CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C |
JLIDBLDQVAYHNE-WEYXYWBQSA-N |
264.14000 |
C15H20O4 |
1.783 |
4 |
2 |
74.60 |
9.0 |
19 |
1 |
[Uptake of (14C) leucine and protein synthesis in potato tuber buds and effect of abscisic acid on these processes].|Effects of some tricyclic psychopharmacons and structurally related compounds on motility of Proteus vulgaris.|Late embryogenesis-abundant genes encoding proteins with different numbers of hydrophilic repeats are regulated differentially by abscisic acid and osmotic stress.|Analysis of structure and transcriptional activation of an osmotin gene.|A desiccation-related Elip-like gene from the resurrection plant Craterostigma plantagineum is regulated by light and ABA.|Developmental and environmental concurrent expression of sunflower dry-seed-stored low-molecular-weight heat-shock protein and Lea mRNAs. |
ABSCISIC ACID|cis-Abscisic acid|Dormin|(+)-Abscisin II|(+)-cis-Abscisic acid|Abscisic acid, (+)-|MLS000766141|CHEBI:62426|(+)-Abscisic acid|7773-56-0|Dormin (abscission factor)|(2E,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid|5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid|2-cis,4-trans-Abscisic acid|cis-trans-(+)-Abscissic acid|2-trans-ABA|SR-01000644017|ABA|(-)-cis,trans-Abscisic acid|NSC148832|NSC-148832|2, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, (Z,E)-(S)-(+)-|2, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, S-(Z,E)-|AC1NT9EK|AC1Q5T6J|Abscisic acid, mixed isomers|SCHEMBL2591173|SCHEMBL2591175|CHEMBL1965138|CHEBI:93815|JLIDBLDQVAYHNE-WEYXYWBQSA-N|MolPort-001-766-672|MolPort-039-013-290|HMS1668O07|HMS2269H09|(2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid|ZX-AT028239|CCG-54961|NSC146877|AKOS015910460|NSC-146877|NCGC00160152-01|NCGC00160152-02|SMR000528625|A815249|I14-1927|J-007892|SR-01000644017-1|SR-01000644017-4|SR-01000644017-5|I14-40109|(2E,4E)-3-Methyl-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexenyl)-2,4-pentadienoic acid|(2E,4E)-3-methyl-5-(2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl)penta-2,4-dienoic acid|(2E,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl)-3-methylpenta-2,4-dienoic acid|(S-(2Z,4E))-5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-2,4-pentadienoic acid #|2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, (Z,E)-(S)-(+)-|2228-72-0|5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-2,4-pentadienoic acid, 9CI| |
| (2R)-2,5-Bis(6-Bromo-1H-Indol-3-Yl)-2,3-Dihydro-1H-Pyrazin-6-One |
natural product |
Spongosorites spp |
Sortase - Staphylococcus aureus |Org= Staphylococcus aureus |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|Breast Cancer|Breast Carcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Org=Staphylococcus aureus |
3D viewer |
Pubchem |
|
11294704 |
No Cas |
C1C(NC(=O)C(=N1)C2=CNC3=C2C=CC(=C3)Br)C4=CNC5=C4C=CC(=C5)Br |
LJVUNJVGWMVCQH-SFHVURJKSA-N |
483.95000 |
C20H14Br2N4O |
-0.0666 |
5 |
3 |
73.04 |
4.0 |
27 |
5 |
|
|
| Camphene |
natural product |
Kadsura longipedunculata|Chrysanthemum x morifolium|Leonurus japonicus|Zingiber officinale|Acorus calamus|Chrysanthemum zawadskii|Lindera aggregata|Acorus gramineus|Acorus tatarinowii|Cinamomum cassia|Lindera strichnifolia|Alpinia galanga|Cinnamomum aromaticum|Litsea cubeba|Amomum compactum|Citrus aurantium|Magnolia biondii|Asarum heterotropoides f. schm. var. mandshuricum (maxim.) kitag.|Amomum krervanh|Citrus maxima|Magnolia denudata|Houttuynia cordata|Amomum longiligulare|Citrus medica|Magnolia kobus|Bupleurum scorzonerifolium|Amomum villosum|Citrus reticulata|Magnolia obovata|Boswellia carterii|Angelica sinensis|Amomum xanthioides|Citrus unshiu|Magnolia officinalis|Angelica acutiloba|Cnidium monieri|Magnolia salicifolia|Daucus carota|Angelica gigas|Cnidium monnieri|Valeriana officinalis|Curcuma kwangsiensis|Valeriana officinalis l. var. latifolia miq.|Artemisia annua|Curcuma longa|Magnolia sprengeri|Homo sapiens|Artemisia apiacea|Curcuma phaeocaulis|Mosla chinensis|Artemisia argyi|Curcuma wenyujin|Myristica fragrans|Artemisia capillaris|Curcuma zedoaria|Hansenia forbesii|Cyperus rotundus|Artemisia iwayomogi|Hansenia weberbaueriana|Coriandrum sativum|Artemisia montana|Ostericum grosseserratum|Panax ginseng|Curcuma aromatica|Artemisia princeps|Elettaria cardamomum|Panax notoginseng|Asarum heterotropoides|Elsholtzia ciliata|Panax quinquefolius|Asarum sieboldii|Syzygium aromaticum|Piper cubeba|Pinus tabulaefomis|Asiasarum heterotropoides|Ferula assafoetida|Piper nigrum|Aucklandia lappa|Ferula fukanensis|Ferula sinkiangensis|Platycladus orientalis|Notopterygium forbesii|Foeniculum vulgare|Polygonatum odoratum|Forsythia suspense|Asiasarum sieboldii|Forsythia suspensa|Schisandra chinensis|Mentha haplocalyx|Atractylodes lancea|Forsythia viridissima|Thymus quinquecostatus|Ligusticum chuanxiong|Atractylodes macrocephala|Glehnia littoralis|Thymus vulgaris|Saussurea costus|Torilis japonica|Capsicum annuum|Illicium verum|Zanthoxylum bungeanum|Perilla frutescens (l.) britt. var. crispa (thunb.) hand.-mazz.|Senna alexandrina|Inula helenium|Zanthoxylum piperitum|Zanthoxylum schinifolium|Chrysanthemum indicum|Laggera pterodonta|Schizonepeta tenuifolia |
Path=CASP3 pathway|CASP7 pathway|Org=Spodoptera littoralis | Theba pisana |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Org=Spodoptera littoralis | Theba pisana |
3D viewer |
Pubchem |
|
6616 |
79-92-5 |
CC1(C2CCC(C2)C1=C)C |
CRPUJAZIXJMDBK-UHFFFAOYSA-N |
136.13000 |
C10H16 |
1.3875 |
0 |
0 |
0.00 |
2.0 |
10 |
2 |
Chromatographic studies of the enantiomeric composition of some therapeutic compositions applied in the treatment of liver and kidney diseases.|Antioxidative properties of the essential oil from Pinus mugo.|Chemical composition and antimicrobial activity of the essential oils from the gum of Turkish pistachio (Pistacia vera L.).|Women's health among the Chumash.|Gitksan medicinal plants--cultural choice and efficacy.|Anti-inflammation activity of fruit essential oil from Cinnamomum insularimontanum Hayata. |
CAMPHENE|79-92-5|Comphene|2,2-Dimethyl-3-methylenenorbornane|3,3-Dimethyl-2-methylenenorbornane|3,3-Dimethyl-2-methylenenorcamphane|2,2-Dimethyl-3-methylenebicyclo2.2.1heptane|(+/-)-Camphene|2,2-dimethyl-3-methylidenebicyclo2.2.1heptane|Bicyclo2.2.1heptane, 2,2-dimethyl-3-methylene-|FEMA No. 2229|CCRIS 3783|HSDB 900|NSC 4165|3,3-Dimethyl-2-methylenenorcamphene|EINECS 201-234-8|EINECS 209-275-3|565-00-4|AI3-01775|CHEBI:3830|Camphene, (1R,4S)-(+)-|Camphene (2,2-dimethyl-3-methylene-norbornane)|CRPUJAZIXJMDBK-UHFFFAOYSA-N|2,2-Dimethyl-3-methylenebicyclo(2.2.1)heptane|2,2-dimethyl-3-methylene-norbornane|Bicyclo(2.2.1)heptane, 2,2-dimethyl-3-methylene-|DSSTox_CID_6488|DSSTox_RID_78121|DSSTox_GSID_26488|3,3-dimethyl-2-methylidenebicyclo2.2.1heptane|(1)-2,2-Dimethyl-3-methylenebicyclo(2.2.1)heptane|Bicyclo2.2.1heptane, 2,2-dimethyl-3-methylene-, (1R)-|CAS-79-92-5|Camphene, 75%, remainder mainly alpha-fenchene|3,3-dimethyl-2-methylenebicyclo2.2.1heptane|MFCD00066603|ACMC-1ARGM|2,2-Dimethyl-3-methylenebicyclo2.2.1heptane #|DL-CAMPHENE, TECH|EC 201-234-8|AC1L1MX7|KSC378G0P|Bicyclo2.2.1heptane, 2,2-dimethyl-3-methylene-, (1R,4S)-|Bicyclo2.2.1heptane, 2,2-dimethyl-3-methylene-, (1S,4R)-|CHEMBL2268550|DTXSID8026488|CTK2H8307|NSC4165|MolPort-001-785-795|KS-000011CN|NSC-4165|Tox21_202014|Tox21_303152|ANW-41333|BBL033861|SBB060158|STK801857|AKOS004119935|LS-2612|MCULE-1011863584|RTR-025333|TRA-0205299|NCGC00249149-01|NCGC00257126-01|NCGC00259563-01|WLN: L55 A CYTJ CU1 D1 D1|AN-19994|AN-23709|AN-24008|DB-053130|DB-056393|DB-057848|TR-025333|FT-0609260|FT-0635856|ST50330642|C06076|Bicyclo2.2.1heptane,2-dimethyl-3-methylene-|565C004|SR-01000944833|SR-01000944833-1|I14-10696|I14-52149|Z955123744| |
| Weisiensin A |
natural product |
Isodon adenantha|Veronica linariifolia|Isodon weisiensis|Picrasma crenata|Scorzonera cretica|Aglaia edulis|Rabdosia adenantha|Leontodon tuberosus|Lycoris aurea|Cora pavonia|Cyrtocymura cincta|Lecanora epanora|Isodon nervosus|Ovidia pillo-pillo|Polypodium fauriei|Rhamnus disperma|Euphorbia portlandica|Santolina magonica|Senecio fuchsii|Polysaccum crassipes|Muricea californica|Colebrookea oppositifolia|Chlorella sorokiniana|Attalea funifera|Artemisia viridis|Gentiana brachyphylla|Sideritis marmorea|Helminthosporium zizaniae|Pterocarpus santalinus|Didymeles madagascariensis|Aspergillus puniceus |
|
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia |
3D viewer |
Pubchem |
|
14355978 |
No Cas |
CC(=O)OC1CC2CC3(C1C4(C(CC(C(C4C(C3OC(=O)C)O)(C)C)O)OC(=O)C)C)C(=O)C2=C |
QTLPNFQMZWBMDF-LYVLPCRDSA-N |
492.24000 |
C26H36O9 |
-0.6306 |
9 |
2 |
136.43 |
14.0 |
35 |
4 |
Diterpenoids from Isodon adenantha. |
|
| (-)-epigallocatechin |
bioactive compound |
Diospyros kaki|Myrica rubra|green tea|Paeonia albiflora|Senegalia catechu|Apocynum venetum|Crataegus pinnatifida|Ginkgo biloba|Hypericum perforatum|Morus alba|Solanum nigrum|Spatholobus suberectus|Caulis millettiae|Caulis spatholobi|Citrus wilsonii|Cynanchum chinense|Paeonia lactiflora|Radix paeoniae rubra|Xanthoceras sorbifolium|Nasutitermes ephratae|Nototodarus sloanii| |
Path=ODC1 pathway|Glucose-6-phosphate 1-dehydrogenase - Saccharomyces cerevisiae S288c |Org= Plasmodium falciparum|Beta-secretase 1 - Homo sapiens | Cyclooxygenase-2 - Homo sapiens | Cyclooxygenase-1 - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Basophilic Leukemia|Gen=Others |
3D viewer |
Pubchem |
4E1A 4KQR 4KQK 4KQO |
72277 |
970-74-1 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O |
XMOCLSLCDHWDHP-IUODEOHRSA-N |
306.27000 |
C15H14O7 |
1.779 |
1 |
6 |
131.00 |
1.0 |
22 |
3 |
(-)-Epigallocatechin, widespread in plants, has been shown to exhibit anti-tumor, anti-cancer and anti-inflammatory functions. |
N/A |
| Withaferin A |
natural product |
Withania somnifera|Withania somnifera|Vassobia breviflora|Physalis longifolia|Withania aristata |
Path=MAPK14 pathway|PAWR pathway|Caspase-3 - Homo sapiens | Heat shock 70 kDa protein 6 - Homo sapiens | Serine/threonine-protein kinase AKT - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute T cell leukemia |pre-B leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Ehrlich Ascites Carcinoma (EAC)|Non-small Cell Lung Cancer|large cell carcinoma|Prostate Cancer|Prostate Adenocarcinoma|Soft Tissue Sarcoma|Mouse sarcoma |
3D viewer |
Pubchem |
|
49864510 |
No Cas |
CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)CO |
DBRXOUCRJQVYJQ-BZMBVROXSA-N |
470.27000 |
C28H38O6 |
0.6416 |
6 |
2 |
96.36 |
9.0 |
34 |
6 |
Actin microfilament aggregation induced by withaferin A is mediated by annexin II.|Development of withaferin A analogs as probes of angiogenesis.|Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.|Withaferin A, a steroidal lactone from Withania somnifera, induces mitotic catastrophe and growth arrest in prostate cancer cells.|Hedgehog inhibitors from Withania somnifera.|Discovery of Potent 17-Hydroxywithanolides for Castration-Resistant Prostate Cancer by High-Throughput Screening of a Natural Products Library for Androgen-Induced Gene Expression Inhibitors. |
|
| Neobritannilactone B |
natural product |
Inula britannica|Eupatorium sachalinense|Eupatorium cuneifolium|Eupatorium formosanum|Eupatorium glaucescens |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma |
3D viewer |
Pubchem |
|
11528898 |
No Cas |
CC1=CC2C(C(CC(=CCC1)C)O)C(=C)C(=O)O2 |
PDEJECFRCJOMEN-RZPRNJIHSA-N |
248.14000 |
C15H20O3 |
1.7624 |
3 |
1 |
46.53 |
3.0 |
18 |
2 |
|
|
| R-5-Vinyl-2-Thiooxazolidone |
natural product |
Isatis indigotica|Isatdis radix|Isatis tinctoria |
Dopamine beta-hydroxylase - Bos taurus |Org= Lactuca sativa |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Org=Lactuca sativa |
3D viewer |
Pubchem |
|
3032313 |
1072-93-1 |
C=CC1CNC(=S)O1 |
UZQVYLOFLQICCT-SCSAIBSYSA-N |
129.02000 |
C5H7NOS |
1.541 |
2 |
0 |
60.39 |
2.0 |
8 |
1 |
Nutritional value of processed rapeseed meal.|Inhibition of dopamine beta-hydroxylase by goitrin, a natural antithyroid compound.|Biochemical changes in layer and broiler chickens when fed on a high-glucosinolate rapeseed meal.|Comparative effects of semisynthetic D-5-vinyl-2-thiooxazolidone and water-extracted rapeseed meal in the rat.|Modulation of glutathione S-transferase activity and isozyme pattern in liver and small intestine of rats fed goitrin- and T3-supplemented diets.|Extraction and characterization of glucosinolates and isothiocyanates from rape seed meal. |
Epigoitrin|1072-93-1|Goitrine|D-Goitrin|(R)-Goitrin|C5H7NOS|R-5-Vinyl-2-oxazolidinethione|UNII-2N815D740R|Ethyl-p-methoxycinnamate|(R)-5-Ethenyl-2-oxazolidinethione|2-Oxazolidinethione, 5-vinyl-, (R)-|AI3-52770|BA 51-090278|(5R)-5-vinyloxazolidine-2-thione|2N815D740R|2-Oxazolidinethione, 5-ethenyl-, (5R)-|Q-100044|5-vinyl-2-thiooxazolidone|Epigotrin|r-goitrin|goitrin, (R)-isomer|AC1MHTWU|2-Oxazolidinethione, 5-ethenyl-, (R)-|2-Oxazolidinethione, 5-ethenyl-, (R)- (9CI)|CHEMBL442589|SCHEMBL3500968|(-)5-vinyl-2-oxazolidinethione|(r)-5-vinyl-2-oxazolidinethione|(r)-5-vinyloxazolidine-2-thione|MolPort-023-220-739|ZINC5226611|FCH844233|(5r)-5|A-vinyloxazolidine-2-thione|AKOS006276218|ba-51-090278|AN-48410|(5R)-5-ethenyl-1,3-oxazolidine-2-thione|LS-100473|FT-0686602|N2435|X1130|072E931|I09-2043|UNII-O8KVD7J2P5 component UZQVYLOFLQICCT-SCSAIBSYSA-N| |
| n.a. |
natural product |
Gardneria ovata |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
54583046 |
No Cas |
COC1=C2C(=CC3=C1OCO3)N=C4C25CC6C(CO4)C7CC5N6CC7=CCO |
UNRLUEYVDLNGBH-PZITXNDWSA-N |
382.15000 |
C21H22N2O5 |
-0.9205 |
4 |
1 |
72.75 |
4.0 |
28 |
5 |
|
|
| (2R)-4-Methoxy-2-[(Z)-2-Phenylethenyl]-2,3-Dihydropyran-6-One |
natural product |
Piper methysticum |
Path=ABCB1 pathway|NFKB1 pathway|Cytochrome P450 1A2 - Homo sapiens | Cytochrome P450 2C19 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Bladder Cancer|Bladder carcinoma|Transitional Cell Carcinoma |
3D viewer |
Pubchem |
|
6604256 |
No Cas |
COC1=CC(=O)OC(C1)C=CC2=CC=CC=C2 |
XEAQIWGXBXCYFX-KRZKBDHCSA-N |
230.09000 |
C14H14O3 |
0.4444 |
3 |
0 |
35.53 |
4.0 |
17 |
2 |
|
|
| Abscisic Acid |
natural product |
Axinella polypoides|Ecklonia kurome|Hordeum vulgare|Isatis tinctoria|Saccharina japonica|Lonicera japonica|Prunus davidiana|Prunus persica |
Gen=Others|Nuclear factor erythroid 2-related factor 2 - Homo sapiens |Org= Plasmodium falciparum|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus | Cytochrome P450 monooxygenase - Arabidopsis thaliana | Thyroid stimulating hormone receptor - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Androgen Receptor - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Interleukin-8 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens |Org= Triticum aestivum |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|Acute Myeloid Leukemia|Gen=Others |
3D viewer |
Pubchem |
4MKV 3K3K 4DS8 4DSC |
5375199 |
14375-45-2 |
CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C |
JLIDBLDQVAYHNE-LXGGSRJLSA-N |
264.14000 |
C15H20O4 |
1.783 |
4 |
2 |
74.60 |
9.0 |
19 |
1 |
[Uptake of (14C) leucine and protein synthesis in potato tuber buds and effect of abscisic acid on these processes].|Effects of some tricyclic psychopharmacons and structurally related compounds on motility of Proteus vulgaris.|Late embryogenesis-abundant genes encoding proteins with different numbers of hydrophilic repeats are regulated differentially by abscisic acid and osmotic stress.|Analysis of structure and transcriptional activation of an osmotin gene.|A desiccation-related Elip-like gene from the resurrection plant Craterostigma plantagineum is regulated by light and ABA.|Developmental and environmental concurrent expression of sunflower dry-seed-stored low-molecular-weight heat-shock protein and Lea mRNAs. |
ABSCISIC ACID|14375-45-2|(+/-)-Abscisic acid|Abscisinsaeure|Abszisinsaeure|acido abscisico|acide abscissique|(+)-Abscisic acid|2-cis-abscisic acid|(RS)-Abscisic acid|Dormin|CHEBI:22152|(2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid|JLIDBLDQVAYHNE-LXGGSRJLSA-N|ABSCISIC ACID (cis,trans; +/-)|2-cis,4-trans-Abscisic acid|(2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-enyl)-3-methylpenta-2,4-d ienoic acid|(+)-cis,trans-Abscisic Acid|abscisic acids|PBI-57|(+/-)-Aba|ABA|(+/-)-(cis,Trans)-abscisic acid|( inverted exclamation markA)-Abscisic acid|Abscisic acid, (+/-)-(2Z,4E)-|Abscisic acid (ABA)|AC1NT9EJ|Abscisic acid (+/-)-cis,trans-form MI|Spectrum5_000342|(+)-Abscisic acid 99%|DSSTox_CID_10604|DSSTox_RID_78851|DSSTox_GSID_30604|BSPBio_002916|SPECTRUM1502234|CHEMBL379808|Jsp004339|DTXSID1030604|CHEBI:62431|MolPort-003-665-998|HMS1921N10|Pharmakon1600-01502234|(+)-2-cis,4-trans-abscisic acid|(2Z,4E)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-2,4-pentadienoic acid|(S)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-(2Z,4E)-pentadienoic acid|Tox21_201137|CA-722|CCG-38879|MFCD00066545|NSC759648|SBB003072|AKOS015903032|AN-1423|NSC-759648|SDCCGMLS-0066860.P001|NCGC00017240-02|NCGC00017240-03|NCGC00017240-04|NCGC00017240-05|NCGC00017240-06|NCGC00017240-07|NCGC00091094-01|NCGC00091094-02|NCGC00091094-03|NCGC00091094-04|NCGC00258689-01|2,4-pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, (2Z,4E)-|4CN-2982|L903|SC-16385|ST056307|CAS-14375-45-2|LS-190476|LS-190722|LS-194449|4CH-024069|A0792|FT-0082739|2-cis,4-trans-Abscisic acid, synthetic, 98%|375A452|J-007868|13F617B4-6D52-4DAF-ADA1-A7FE2B84E828|(+/-)-Abscisic acid, BioReagent, plant cell culture tested, >=98.5% (HPLC)|5-1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl-3-methyl-2Z,4e-pentadienoic acid|(2Z,4E)-3-Methyl-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexenyl)-2,4-pentadienoic acid|(2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-cyclohex-2-en-1-yl)-3-methyl-penta-2,4-dienoic acid|(2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-enyl)-3-methylpenta-2,4-dienoic acid|(4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid|5-(1S)-1-HYDROXY-2,6,6-TRIMETHYL-4-OXO-2-CYCLOHEXEN-1-YL-3-METHYL-2Z,4E-PENTADIENOIC ACID| |
| (2S,3R)-2-(3,4-Dihydroxyphenyl)-8-[(2R,3S,4S)-2-(3,4-Dihydroxyphenyl)-3,5,7-Trihydroxy-3,4-Dihydro-2H-Chromen-4-Yl]-3,4-Dihydro-2H-Chromene-3,5,7-Triol |
natural product |
Hypericum perforatum|Tripterygium hypoglaucum|Arachis hypogaea|Rubus chingii|Rosa laevigata|Camellia sinensis var. assamica (masters) kitamura |
Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Cytochrome P450 1A2 - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens |
Dis=Central Nervous System Cancers|Glioblastoma|Chronic Myelogenous Leukemia|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma |
3D viewer |
Pubchem |
|
3246477 |
No Cas |
C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O |
XFZJEEAOWLFHDH-LEZVGZISSA-N |
578.14000 |
C30H26O12 |
-5.1813 |
2 |
10 |
220.76 |
13.0 |
42 |
6 |
|
|
| Aloe-emodin |
bioactive compound |
Aloe spp|Aloe vera|Rheum palmatum|Cassia garrettiana| |
Path=NAT1 pathway|BCL2 pathway|CCNB1 pathway|CDK1 pathway|BAX pathway|CASP3 pathway|CDC25C pathway|CDKN1A pathway|FAS pathway|TP53 pathway|WEE1 pathway|MAPK1 pathway|MAPK3 pathway|CCNA1 pathway|CDK2 pathway|MYC pathway|PCNA pathway|PRKCA pathway|BCL2L1 pathway|BID pathway|N/A|ATF6 pathway|MMP9 pathway|none|MMP2 pathway|AIFM1 pathway|HSPA5 pathway|PARP1 pathway|MAPK14 pathway|MAPK9 pathway|VEGFA pathway|NFKB1 pathway|PTGS2 pathway|CASP8 pathway|CASP9 pathway|FADD pathway|FASLG pathway|TNF pathway|TRADD pathway|TRAF1 pathway|TRAF2 pathway|CYCS pathway|JUN pathway|MAP3K5 pathway|MAPK8 pathway|CASP7 pathway|Gen=Anti-infection |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|Bladder Cancer|Transitional Cell Carcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioma|Neuroblastoma|Glioblastoma|Cervical Cancer|Cervical Adenocarcinoma|Cervical Carcinoma Papilloma |Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Head and Neck Cancers|head and neck squamous cell carcinoma|Nasopharyngeal carcinoma|Oral Squamous Cell Carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Hepatoma|Melanoma|malignant melanoma|Murine Melanoma|Skin cancer|Merkel cell carcinoma |Non-Melanoma Skin Cancers|Fibroblast|Non-small Cell Lung Cancer|large cell carcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Gen=Microbiology |
3D viewer |
Pubchem |
|
10207 |
481-72-1 |
C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)CO)O |
YDQWDHRMZQUTBA-UHFFFAOYSA-N |
270.24000 |
C15H10O5 |
1.719 |
2 |
3 |
94.80 |
1.0 |
20 |
|
Aloe-emodin is an interferon-inducing agent with IC50 of about 1 ?g/mL for JEV and of about 0.33 ?g/mL for EV71. |
NSC 38628, Rhabarberone |
| Acetyl Neobritannilactone B |
natural product |
Inula britannica|Liriodendron tulipifera|Ambrosia chamissonis|Conocephalum conicum|Pyrethrum sp|Artemisia mexicana var. angustifolia|Ambrosia dumosa|Pyrethrum sp.|Artemisia ludoviciana subsp. mexicana |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma |
3D viewer |
Pubchem |
|
11962128 |
No Cas |
CC1=CC2C(C(CC(=CCC1)C)OC(=O)C)C(=C)C(=O)O2 |
UPNVKIZABMRHNR-LFLWPQTJSA-N |
290.15000 |
C17H22O4 |
2.1415 |
4 |
0 |
52.60 |
5.0 |
21 |
2 |
|
|
| 1-Isothiocyanato-4-[(R)-Methylsulfinyl]Butane |
natural product |
Brassica oleracea|Brassica spp|Codonopsis radix|Raphanus sativus |
Path=BCL2 pathway|BAX pathway|TP53 pathway|AHR pathway|PTGS2 pathway|none|MMP9 pathway|CASP3 pathway|CASP9 pathway|PARP1 pathway|VIM pathway|CDKN1A pathway|KLF4 pathway|Nuclear receptor ROR-gamma - Mus musculus | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Vitamin D receptor - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Brain Tumor|Medulloblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Fibrosarcoma|Gastrointestinal Cancer|Gastric carcinoma|Melanoma|Murine Melanoma |
3D viewer |
Pubchem |
|
9577379 |
142825-10-3 |
CS(=O)CCCCN=C=S |
SUVMJBTUFCVSAD-SNVBAGLBSA-N |
177.03000 |
C6H11NOS2 |
-0.9316 |
2 |
0 |
80.73 |
6.0 |
10 |
0 |
Role of a mitogen-activated protein kinase pathway in the induction of phase II detoxifying enzymes by chemicals.|Inhibition of human cytochrome P450 enzymes by 1,2-dithiole-3-thione, oltipraz and its derivatives, and sulforaphane.|Inhibition of benzo[a]pyrene- and 1,6-dinitropyrene-DNA adduct formation in human mammary epithelial cells bydibenzoylmethane and sulforaphane.|Reactive oxygen species-related induction of multidrug resistance-associated protein 2 expression in primary hepatocytes exposed to sulforaphane.|Identification of Nrf2-regulated genes induced by the chemopreventive agent sulforaphane by oligonucleotide microarray.|Benzyl isothiocyanate: an effective inhibitor of polycyclic aromatic hydrocarbon tumorigenesis in A/J mouse lung. |
L-Sulforaphane|(R)-sulforaphane|142825-10-3|(-)-Sulforaphane|4-Methylsulfinylbutyl isothiocyanate|(L)-Sulforaphane|(R)-1-Isothiocyanato-4-(methylsulfinyl)butane|1-isothiocyanato-4-(R)-methylsulfinylbutane|UNII-GA49J4310U|CHEBI:47808|GA49J4310U|4-isothiocyanatobutyl methyl (R)-sulfoxide|Butane,1-isothiocyanato-4-(R)-methylsulfinyl-|SCHEMBL105203|CHEMBL128136|CTK8F1363|DTXSID40162196|MolPort-003-959-553|ZINC3875035|AKOS017343745|ACN-035508|AN-1501|DB12422|L-Sulforaphane, >=95% (HPLC), oil|NCGC00165894-01|RT-013537|FT-0674748|Butane, 1-isothiocyanato-4-(methylsulfinyl)-, (R)-|UNII-41684WL1GL component SUVMJBTUFCVSAD-SNVBAGLBSA-N| |
| Bryonolic Acid |
natural product |
Trichosanthes kirilowii|Ampelopsis japonica|Luffa cylindrica|Lagenaria siceraria|Trichosanthis radix |
Nuclear factor erythroid 2-related factor 2 - Mus musculus |Org= Mus musculus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Org=Mus musculus |
3D viewer |
Pubchem |
|
472768 |
24480-45-3 |
CC1(C2CCC3=C(C2(CCC1O)C)CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C |
BHVJSLPLFOAMEV-FPLINDMSSA-N |
456.36000 |
C30H48O3 |
2.1275 |
3 |
2 |
57.53 |
10.0 |
33 |
5 |
Inhibitory effects of triterpenoids and sterols on human immunodeficiency virus-1 reverse transcriptase.|Characterization of a rare triterpenoid and minor phenolic compounds in the root bark of Anisophyllea dichostyla R. Br.|Bryonolic acid: a large-scale isolation and evaluation of heme oxygenase 1 expression in activated macrophages.|Bryonolic Acid, a Triterpenoid, Protect Against N-methyl-d-Aspartate-Induced Neurotoxicity in PC12 Cells. |
Bryonolic acid|24480-44-2|24480-45-3|(2R,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-Hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-eicosahydro-picene-2-carboxylic acid|(2R,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid|AC1LAPTL|D:C-Friedoolean-8-en-29-oic acid, 3-oxo-|(2r,4as,6as,8ar,10s,12as,14as,14br)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-icosahydropicene-2-carboxylic acid|AC1Q719Q|CHEMBL482596|CTK4F3778|MolPort-035-706-317|ZINC32024272|W2390|26-Norolean-8-en-29-oicacid, 13-methyl-3-oxo-, (13a,14b,20a)-|(2R-alpha,4abeta,6abeta,8aalpha,12abeta,14aalpha,14bbeta))- 1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-Eicosahydro-2,4a,6a,9,9,12a,14a-heptamethyl-10-oxo-2-picenecarboxylic acid| |
| Cudraxanthone L |
natural product |
Cudrania tricuspidata |
Sialidase - Clostridium perfringens | Monoamine oxidase A - Mus musculus | Acyl coenzyme A:cholesterol acyltransferase 1 - Homo sapiens | Acyl coenzyme A:cholesterol acyltransferase 2 - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |
3D viewer |
Pubchem |
|
11486277 |
135541-40-1 |
CC(=CCC1=C2C(=CC(=C1O)O)C(=O)C3=C(C(=C(C=C3O2)O)C(C)(C)C=C)O)C |
LVKPSBFBKBJJOB-UHFFFAOYSA-N |
396.16000 |
C23H24O6 |
1.24 |
1 |
4 |
107.22 |
12.0 |
29 |
3 |
Anti-atherosclerotic and anti-inflammatory activities of catecholic xanthones and flavonoids isolated from Cudrania tricuspidata.|Characteristic of neuraminidase inhibitory xanthones from Cudrania tricuspidata. |
cudraxanthone L|135541-40-1|CHEMBL197916|MolPort-035-706-469|BDBM50175013|ZINC13412042|AKOS032948133|W2632|1,3,6,7-tetrahydroxy-5-(3-methylbut-2-enyl)-2-(2-methylbut-3-en-2-yl)-9H-xanthen-9-one|2-(1,1-Dimethyl-2-propenyl)-5-(3-methyl-2-butenyl)-1,3,6,7-tetrahydroxy-9H-xanthen-9-one |
| Isoaaptamine |
natural product |
Hymeniacidon spp|Aaptos suberitoides|Aaptos aaptos|hymeniacidon sp. |
Sortase - Staphylococcus aureus |Org= Neisseria gonorrhoeae | Staphylococcus aureus | Enterococcus faecalis | Filobasidiella neoformans | Streptococcus pneumoniae |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Kidney Cancer|kidney cancer|Melanoma|malignant melanoma|Non-small Cell Lung Cancer|large cell carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Org=Neisseria gonorrhoeae | Staphylococcus aureus | Enterococcus faecalis | Filobasidiella neoformans | Streptococcus pneumoniae |
3D viewer |
Pubchem |
|
395377 |
117173-75-8 |
CN1C=CC2=NC=CC3=CC(=C(C1=C32)O)OC |
MPBUGSHDXOJPKR-UHFFFAOYSA-N |
228.09000 |
C13H12N2O2 |
-0.4498 |
2 |
1 |
45.59 |
4.0 |
17 |
3 |
Synthesis of 8-methoxy-1-methyl-1H-benzo[de][1,6]naphthyridin-9-ol (Isoaaptamine) and analogues.|Antineoplastic agents. 499. Synthesis of hystatin 2 and related 1H-benzo[de][1,6]-naphthyridinium salts from aaptamine.|Antineoplastic agents. 380. Isolation and X-ray crystal structure determination of isoaaptamine from the Republic of Singapore Hymeniacidon sp. and conversion to the phosphate prodrug hystatin 1.|Modification at the C9 position of the marine natural product isoaaptamine and the impact on HIV-1, mycobacterial, and tumor cell activity.|Aaptamines as sortase A inhibitors from the tropical sponge Aaptos aaptos.|Aaptamine, an alkaloid from the sponge Aaptos suberitoides, functions as a proteasome inhibitor. |
|
| Granaxylocarpin B |
natural product |
Xylocarpus granatum |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
16216542 |
No Cas |
CC=C(C)C(=O)OC(C1=CC(C(C(C1=O)C)CC(=O)OC)(C)C)C2(C(=O)CCC3(C2=CC(=O)OC3C4=COC=C4)C)O |
ZBJPDPDKXYNWFV-PQAYMIJJSA-N |
582.25000 |
C32H38O10 |
1.6716 |
9 |
1 |
146.41 |
17.0 |
42 |
4 |
|
|
| Protocatechuic acid |
bioactive compound |
Hibiscus sabdariffa|Inonotus obliquus|Lonicera japonica| |
Path=BCL2 pathway|BAX pathway|NFKB3 pathway|MAPK14 pathway|MAPK8 pathway|Gen=Others |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Gen=Others |
|
|
2BUV 3PCA 1B4U 3LMX |
|
99-50-3 |
C1=CC(=C(C=C1C(=O)O)O)O |
YQUVCSBJEUQKSH-UHFFFAOYSA-N |
154.12000 |
C7H6O4 |
0.975 |
1 |
2 |
77.80 |
1.0 |
11 |
|
Protocatechuic acid (PCA), a dihydroxybenzoic acid, is a type of widely distributed naturally occurring phenolic acid. |
3,4-Dihydroxybenzoic acid, Protocatechuate |
| n.a. |
natural product |
Terminalia chebula|Phyllanthus emblica|Terminalia bellirica |
Path=BCL2 pathway|CYCS pathway| |
Dis=Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Prostate Cancer|prostate Carcinoma |
3D viewer |
Pubchem |
|
250397 |
23094-71-5 |
C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C(C(C(=O)O3)CC(=O)O)C(C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O |
HGJXAVROWQLCTP-UHFFFAOYSA-N |
954.10000 |
C41H30O27 |
-6.8232 |
15 |
13 |
447.09 |
18.0 |
68 |
8 |
A strategy for identifying novel, mechanistically unique inhibitors of topoisomerase I.|Inhibition of HIV-1 integrase by galloyl glucoses from Terminalia chebula and flavonol glycoside gallates from Euphorbia pekinensis.|In vitro anti-Neisseria gonorrhoeae activity of Terminalia macroptera leaves.|Chebulagic acid is a potent alpha-glucosidase inhibitor.|Therapeutic Potential of Plants as Anti-microbials for Drug Discovery.|Chebulagic acid (CA) attenuates LPS-induced inflammation by suppressing NF-kappaB and MAPK activation in RAW 264.7 macrophages. |
Chebulagic acid|NSC342674|23094-71-5|.beta.-D-Glucopyranose,4-dihydro-3,7,8-trihydroxy-2-oxo-2H-1-benzopyran-4-yl)butanedioic acid, cyclic 3,3-(4,4',5,5',6,6'-hexahydroxy1,1'-biphenyl-2,2'-dicarboxylate) 1-(3,4,5-trihydroxybenzoate)|AC1L5HL6|SCHEMBL1877153|CHEMBL1970427|HY-N1996|NSC69863|NSC-69863|CS-5820|NSC-342674|NCI60_003043|.beta.-D-Glucopyranose,4-dihydro-3,7,8-trihydroxy-2-oxo-2H-1-benzopyran-4-yl)butanedioic acid, cyclic 3,6-(4,4',5,5',6,6'-hexahydroxy1,1'-biphenyl-2,2'dicarboxylate) 1-(3,4,5-trihydroxybenzoate)| |
| Cepharanthine |
bioactive compound |
Stephania cepharantha|Stephania rotunda|Lithocarpus haipinii|Stephania erecta|Stephania epigaea|Sphaerophysa salsula|Dictyodendrilla cavernosa|Ardisia hortorum|Populus balsamifera|Moesziomyces antarcticus|Strychnos gossweileri|Doronicum grandiflorum|Lora quadra|Conus gladiator|Spongia vaginalis|Euphorbia characias subsp. wulfenii|Sargassum fulvellum|Leibnitzia anandria|Stephania sasakll|Stephania delavayi|Oxytropis lanata| |
Path=BIRC2 pathway|BIRC3 pathway|IL6 pathway|IL8 pathway|NFKB1 pathway|NFKB2 pathway|TNF pathway|VEGFA pathway|POU2F1 pathway|CCND1 pathway|CDK6 pathway|CDKN2A pathway|CDKN2B pathway|CDKN1A pathway|BAX pathway|CASP3 pathway|Gen=TNF-alpha|Nuclear receptor ROR-gamma - Mus musculus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Beta-glucocerebrosidase - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Ataxin-2 - Homo sapiens | Proto-oncogene c-JUN - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Niemann-Pick C1 protein - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Cholinesterase - Equus caballus | Trypanothione reductase - Trypanosoma cruzi | Geminin - Homo sapiens | Glucagon-like peptide 1 receptor - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Microtubule-associated protein tau - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Nuclear factor NF-kappa-B p105 subunit - Homo sapiens |Org= Plasmodium falciparum | Saccharomyces cerevisiae|Ubiquitin carboxyl-terminal hydrolase 2 - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens |Org= Plasmodium falciparum |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|Oral Squamous Cell Carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Multiple Myeloma|Multiple Myeloma |Plasmacytoma|Non-Hodgkin's Lymphomas|Lymphoblastic Leukemia|Histiocytic Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=Apoptosis |
3D viewer |
Pubchem |
|
10206 |
481-49-2 |
CN1CCC2=CC3=C(C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3 |
YVPXVXANRNDGTA-UHFFFAOYSA-N |
606.71000 |
C37H38N2O6 |
7.019 |
6 |
0 |
61.90 |
2.0 |
45 |
7 |
Cepharanthine is a biscoclaurine alkaloid inhibiting tumor necrosis factor (TNF)-?-mediated NF?B stimulation, plasma membrane lipid peroxidation and platelet aggregation and suppressing cytokine production. |
NSC-623442 |
| Artemetin |
natural product |
Vitex rotundifolia|Vitex trifolia|Lepraria candelaris|Tinospora smilacina|Pseudokeronopsis rubra|Delphinium campylocentrum|Grindelia nana|Hopea parviflora|Veronicastrum virginicum|Taraxacum borealisinense|Hakea saligna|Berberis insignis|Mythimna separata|Lasiosiphon eriocephalus|Taraxacum coreanum|Amsinckia menziesii|Nephroma australe|Matricaria occidentalis|Achillea collina|Infundibulicybe catinus|Rodgersia podophylla|Taraxacum mongolicum|Citrus limetta|Leucanthemum maximum|Fagraea fragrans|Abies nobilis|Tropaeolum speciosum|Taraxacum officinale|Veronica cinerea|Discaria crenata|Solanum bahamense|Jasminum officinale|Lasiocephalus ovatus|Taraxacum platycarpum|Pithecellobium clypearia|Magnolia ovata|Shigella flexneri|Avrainvillea nigricans|Oreosolen wattii|Alkanna hirsutissima|Nephroma antarcticum|Ganoderma australe|Bischofia trifoliata|Vitex negundo|Jasminum grandiflorum|Halopitys incurvus|Desmodium racemosum|Julocroton camporum|Verbena officinalis|Osmundaria colensoi|Canthium schimperianum|Calea megacephala|Vatica diospyroides|Gardenia jasminoides|Tropiometra afra|Crataegus sinaica|Alternaria chrysanthemi|Mola mola|Cannabis sativa|Artemisia annua|Phyllospongia madagascarensis|Formica fusca|Albizia amara|Caragana tibetica|Callicarpa pilosissima|Artemisia apiacea|Miconia cabucu|Streptomyces cinerochromogenes|Artemisia rutifolia|Rhizoplaca opaca|callicarpa longissima|Cotoneaster orbicularis|Potamogeton malaianus|Picris radicata|Malus asiatica|Dovyalis abyssinica|Eucalyptus cordata|Senecio bergii|Solenopsis geminata|Pinus picea|Eremophila serrulata|Streptomyces misawanensis|Poranthera corymbosa|Rapanea myricoides|Artemisia scoparia|Ibervillea sonorae|Stevia sanguinea|Actinobacillus pleuropneumoniae|Stizolophus balsamita|Drosera spatulata|Aconitum nasutum|Gleditschia triacanthos|Coronophora gregaria|Delphinium hybr|Ethulia conyzoides|Fusarium sambucinum|Streptomyces purpeofuscus|Phomopsis archeri|Achillea millefolium|Bursaphelenchus xylophilus|Pseudomonas viridiflava|Aristolochia maxima|Isodon rubescens|Sarcomelicope argyrophylla|Buddleja variabilis|Pimpinella saxifraga|Doryanthes palmeri|Drypetes roxburghii|Corydalis cornuta|Betula mandshurica|Phegopteris bukoensis|Disepalum plagioneurum|Rhododendron ferrugineum|Leptothorax acervorum|Fritillaria ussuriensis|Primula viscosa|Piper aequale|Aspergillus unilateralis|Euphorbia ferganensis|Senecio scandens|Tridacna gigas|Wallago attu|Nephelium mutabile|Polygala myrtifolia|Scabiosa atropurpurea|Euphorbia hermentiana|Persea indica|Rhodiola krylovii|Dolichospermum affine|Turbinellus floccosus|Smenospongia echina|Phalium undulatum|Pentapora fascialis|Yucca aloifolia|Mikania obtusata|Sinularia rigida|Baccharis tricuneata|Chrysolina fastuosa|Primula hirsuta|Acrocomia sclerocarpa|Salvia nubicola|Ormosia jamaicensis|Didemnum inarmatum|Bridelia balansae|Macrotyloma axillare|Ligularia platyglossa|Monascus purpureus|Viticis fructus|Trigonostemon reidioides|Melampodium longipes|Haloxylon salicornicum|Jasonia montana|Senecio tricephalus|Melanoleuca grammopodia|Alectoria rigida|Dacrydium biforme|Semen euphorbiae|Artemisia vachanica|Montrouziera sphaeroidea|Amoora yunnanensis|Melaleuca uncinata|Verbenae herb|Polygala tenuifolia|Bipolaris sorokiniana|Cordyline indivisa|Scapania nemorea|Polyphaga sinensis|Lecanora lividocinerea|Vallaris solanacea|Odontoschisma denudatum|Annona rensoniana|Gymnodinium microadriaticum|Heritiera littoralis|Viscum coloratum|Mentha pulegiformis|Bergenia purpurascens|Mucor plumbeus|Arachniodes dimorphophylla |
Org=Filobasidiella neoformans | Mycobacterium tuberculosis | Klebsiella pneumoniae | Enterococcus faecalis |
Dis=Acute Myeloid Leukemia|Acute Myeloid Leukemia|Chronic Myelogenous Leukemia|Org=Filobasidiella neoformans | Mycobacterium tuberculosis | Klebsiella pneumoniae | Enterococcus faecalis |
3D viewer |
Pubchem |
|
5320351 |
479-90-3 |
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)OC |
RIGYMJVFEJNCKD-UHFFFAOYSA-N |
388.12000 |
C20H20O8 |
-1.563 |
2 |
1 |
92.68 |
12.0 |
28 |
3 |
Anti-inflammatory activity and sub-acute toxicity of artemetin.|Flavonoids from Vitex trifolia L. inhibit cell cycle progression at G2/M phase and induce apoptosis in mammalian cancer cells.|New antifungal flavonoid glycoside from Vitex negundo.|Isolation and syntheses of polymethoxyflavones and hydroxylated polymethoxyflavones as inhibitors of HL-60 cell lines.|Antiproliferative effect of flavonoids and sesquiterpenoids from Achillea millefolium s.l. on cultured human tumour cell lines.|Hypotensive mechanism of the extracts and artemetin isolated from Achillea millefolium L. (Asteraceae) in rats. |
Artemetin|Artemisetin|479-90-3|Erianthin|UNII-73KMT7R64H|5-Hydroxy-3,3',4',6,7-pentamethoxyflavone|73KMT7R64H|4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-|ARTEMISETIN(P)|AC1NSZD5|Penta-O-methylquercetagetin|5-hydroxy-3,3',4',6,7-pentamethoxy-flavone|CHEMBL225700|MEGxp0_002022|SCHEMBL2122576|ACon1_000985|DTXSID20197325|MolPort-001-742-702|RIGYMJVFEJNCKD-UHFFFAOYSA-N|ZINC5733763|LMPK12113017|AKOS032948424|3,6,7,3',4'-pentamethylquercetagetin|NCGC00169786-01|4CN-1415|W1655|5-Hydroxy-3,6,7,3',4'-pentamethoxyflavone|Quercetagetin-3,6,7,3',4'-pentamethylether|5'-Hydroxy-3,3',4',6,7-pentamethoxyflavone|Quercetagetin 3,6,7,3',4'-pentamethyl ether|Flavone, 5-hydroxy-3,3',4',6,7-pentamethoxy-|BRD-K39946608-001-01-8|2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-chromen-4-one|2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one|2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one #|4H-1-Benzopyran-4-one,2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-| |
| n.a. |
natural product |
Sophora flavescens|Myxococcus stipitatus|Piper regnellii|Hypericum styphelioides|Rhinella marina|Euphorbia nematocypha|Theonella conica|Fraxinus malacophylla|Faramea salicifolia|Shigella dysenteriae|Cordia leucocephala|Lythrum salicaria|Dolabella californica|Lycogala epidendrum|Embelia schimperi|Erythrina melanacantha|Onopordum acanthium|Sophorae flavescentis radix|Pancratium sickenbergeri|Tricholoma columbetta|Clerodendrum bungei|Baccharis neglecta|Simarouba glauca|Lemaireocereus longispinus|Planchonia grandis|Esenbeckia leiocarpa|Pteridium esculentum|Eria anomala|Asimina parviflora|Strychnosn nux-vomica|Helichrysum tenuifolium|Embelia parviflora|Sophora tonkinensis|Leontice alberti|Syzygium polycephaloides|Morella rubra|Plathymenia reticulata|Epilobium hirsutum|Monsonia senegalensis|Haplophyllum obtusifolium|Dendronephthya griffini|Conus mus|Vellozia nanuzae|Erysimum leptophyllum|Diospyros assimilis|Atraphaxis spinosa|Abelia chinensis|Ephedra sinica|Gymnocalycium schickendantzii|Centaurea maculosa|Latrunculia magnifica|Chondrodendron tomentosum|[clostridium] symbiosum|Sphaeranthus bullatus|Siphonaria capensis|Vernonia fagifolia|Aplophyllum alberti-regelii |
Path=EIF4E pathway|N/A|MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|CASP3 pathway|FAS pathway|FASLG pathway|Gen=Opioid Receptor|Org=Hepatitis B virus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioma|Chronic Myelogenous Leukemia|Esophageal and Esophagogastric Junction Cancers|Esophageal squamous cell carcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Gen=Neuronal Signaling |
3D viewer |
Pubchem |
|
7000681 |
641-39-4 |
C1CC2C3CCCN4C3C(CCC4)CN2C(=O)C1 |
ZSBXGIUJOOQZMP-KYEXWDHISA-N |
248.19000 |
C15H24N2O |
-1.9058 |
3 |
0 |
23.55 |
0.0 |
18 |
4 |
Total synthesis of the tetracyclic lupin alkaloid (+)-allomatrine. |
|
| Glaucocalyxin A |
natural product |
Rabdosia japonica|Scorzonera cretica|Chlorella sorokiniana|Isodon pharicus|Pterocarpus santalinus|Gentiana brachyphylla|Cyrtocymura cincta|Leontodon tuberosus|Polysaccum crassipes|Euphorbia portlandica|Lycoris aurea|Attalea funifera|Helminthosporium zizaniae|Lecanora epanora|Muricea californica|Isodon japonica var. glaucocalyx |
Path=BCL2 pathway|BAX pathway|CASP3 pathway|CASP9 pathway|CYCS pathway| |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma |
3D viewer |
Pubchem |
|
10471963 |
79498-31-0 |
CC1(C2CC(C34C(C2(CCC1=O)C)CCC(C3O)C(=C)C4=O)O)C |
UCDVIBNDYLUWFP-MJTHGBBVSA-N |
332.20000 |
C20H28O4 |
0.0756 |
4 |
2 |
74.60 |
5.0 |
24 |
4 |
[Effect of glaucocalyxin A on level of Th1/Th2 type cytokines in mice].|Glaucocalyxin A, a negative Akt regulator, specifically induces apoptosis in human brain glioblastoma U87MG cells.|Glaucocalyxin A activates FasL and induces apoptosis through activation of the JNK pathway in human breast cancer cells.|Glaucocalyxin A improves survival in bleomycin-induced pulmonary fibrosis in mice.|Effects of glaucocalyxin A on human liver cancer cells as revealed by GC/MS- and LC/MS-based metabolic profiling. |
|
| Methyl (1R,4As,5As,6S,10Ar)-1-Methyl-2'-Oxospiro[1,4A,5,5A,7,8,10,10A-Octahydropyrano[3,4-F]Indolizine-6,3'-1H-Indole]-4-Carboxylate |
natural product |
Uncaria tomentosa|Anisopappus pinnatifidus|Scurrula fusca|Maxillaria densa|Cestrum parqui|Lomatia arborescens|Rubus xanthocarpus|Dictyostelium purpureum|Senecio alloeophyllus|Leproloma diffusum|Cercis chinensis|Klasea quinquefolia|Pityophthorus pityographus|Aria pinnatifida|Haplopappus paucidentatus|Clivia nobilis|Lecanora broccha|Vincetoxicum hirundinaria|Uncaria sinensis|Amburana cearensis|Uncaria gambir|Monostroma nitidum|Ageratina tomentella|Platycarpha glomerata|Zeora sordida|Prosopis spicigera|Stereocaulon colensoi|Fomitopsis pinicola|Peyrousea umbellata|Talaromyces funiculosus|Sickingia williamsii|Cuspidaria pterocarpa|Lomatia ilicifolia|Caralluma stalagmifera|Drymaria cordata|Ficus nervosa|Euthamia graminifolia |
Path=BCL2 pathway |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia |
3D viewer |
Pubchem |
|
188999 |
6899-73-6 |
CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O |
JMIAZDVHNCCPDM-DQDWJNSRSA-N |
368.17000 |
C21H24N2O4 |
-0.6854 |
6 |
1 |
71.36 |
5.0 |
27 |
5 |
Microsphere-based protease assays and screening application for lethal factor and factor Xa.|High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.|Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
Uncarine A|UNII-N27X6B2Q57|6899-73-6|CHEBI:81201|N27X6B2Q57|Isoformosanine|AC1L4NV8|AC1Q6M3H|MLS000728614|CHEMBL2355088|HMS2270J14|methyl(7|A,19|A)-19-methyl-2-oxoformosanan-16-carboxylate|ZINC4995168|SMR000470796|C17593|(7alpha,19beta)-19-Methyl-2-oxoformosanan-16-carboxylic acid, methyl ester|methyl (1R,4aS,5aS,6S,10aR)-1-methyl-2'-oxospiro1,4a,5,5a,7,8,10,10a-octahydropyrano3,4-findolizine-6,3'-1H-indole-4-carboxylate| |
| n.a. |
natural product |
Phyllosticta tabernaemontanae|Stephania japonica|Dioscorea collettii|Dioscorea futschauensis|Dioscorea nipponica|Dioscorea collettii var. hypoglauca|Cocculus trilobus|Dioscorea zingiberensis|Dioscorea althaeoides|Taxus brevifolia|Stephania hernandifolia|Dioscorea hypoglauca|Taxus cuspidata |
Gen=Autophagy,Microtubule Associated|anticancer| |
Dis=acute myeloid leukemia|human leukemia|Breast Cancer|Breast Carcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Gen=Cytoskeletal Signaling |
3D viewer |
Pubchem |
5HNW 5HNX 5HNZ 6B0C |
184492 |
105454-04-4 |
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C |
RCINICONZNJXQF-LYTKHFMESA-N |
853.33000 |
C47H51NO14 |
-1.6232 |
15 |
4 |
224.78 |
24.0 |
62 |
7 |
Microtubule-associated protein autophosphorylation alters in vitro microtubule dynamic instability.|Yeast proteins associated with microtubules in vitro and in vivo.|A novel microtubule-binding motif identified in a high molecular weight microtubule-associated protein from Trypanosoma brucei.|Direct photoaffinity labeling of tubulin with taxol.|A novel 24-kDa microtubule-associated protein purified from sea urchin eggs.|Ethacrynic acid inhibition of microtubule assembly in vitro. |
7-Epitaxol|7-epi-Taxol|105454-04-4|7-Epipaclitaxel|Epitaxol|7-epi-Paclitaxel|7-Epi Paclitaxel|Paclitaxel Impurity E|AC1L4F08|CHEMBL503883|CTK8E7099|KS-00000QPS|AOB5624|MolPort-020-005-850|RCINICONZNJXQF-LYTKHFMESA-N|HY-N0227|1246AA|AKOS016007864|ZINC169357064|AK105059|RT-010805|CS-0008270|ST24045648|157570-EP2277507A1|157570-EP2286795A1|J-001425|Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, (2aR,4R,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)- 2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (alphaR,betaS)-|Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (2aR- (2aalpha,4alpha,4abeta,6beta,9alpha(alphaR*,betaS*),11alpha,12alpha,12aalpha,12balpha))-| |
| Diallyldisulfide |
natural product |
Allium sativum|Loranthus parasiticus|Libocedrus decurrens|Allium azureum ledeb|Capsici fructus|Allii sativi bulbus|Allii tuberosi semen|Allium chinense|Allium macrostemon|Allium victorialis|Allium tuberosum|Allium cepa|Descurainia sophia|Berberis integerrima|Rhodospirillum rubrum|Elephantopus angustifolius|Isoplexis sceptrum|Aniba megaphylla|Sarcocephalus latifolius|Herbertus sakuraii|Ovibos moschatus |
Path=CDKN1A pathway|N/A|BIRC2 pathway|BIRC3 pathway|BIRC5 pathway|CAST pathway|XIAP pathway|BCL2 pathway|NFKB1 pathway|CAD pathway|CASP3 pathway|CASP9 pathway|BAX pathway|MAPK14 pathway|MAPK8 pathway|MAP3K3 pathway|MAPK1 pathway|MAPK3 pathway|MAPK9 pathway|MMP2 pathway|MMP7 pathway|PTGS2 pathway|PARP1 pathway|CYCS pathway|JUN pathway|TP53 pathway|CASP8 pathway|CDK1 pathway|BAD pathway|CASP10 pathway|CCNB1 pathway|Transient receptor potential cation channel subfamily A member 1 - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Vitamin D receptor - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|B-cell lymphoma|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Central Nervous System Cancers|Glioblastoma|Neuroblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|large cell carcinoma|Bronchioalveolar Carcinoma|Lung Lymph Node Carcinoma|Prostate Cancer|Prostate Adenocarcinoma |
3D viewer |
Pubchem |
|
16590 |
2179-57-9 |
C=CCSSCC=C |
PFRGXCVKLLPLIP-UHFFFAOYSA-N |
146.02000 |
C6H10S2 |
2.6194 |
0 |
0 |
50.60 |
5.0 |
8 |
0 |
Differential effects of dietary diallyl sulfide and diallyl disulfide on rat intestinal and hepatic drug-metabolizing enzymes.|[Inhibitory effects of garlicin and cinnamaldehyde on SOS response and their mechanisms in Escherichia coli].|Chemoprevention of colon carcinogenesis by organosulfur compounds.|On the involvement of intramolecular protein disulfide in the irreversible inactivation of 3-hydroxy-3-methylglutaryl-CoA reductase by diallyl disulfide.|Cytochrome P450 isoform inhibitors as a tool for the investigation of metabolic reactions catalyzed by human liver microsomes.|[Observation of relationship between function and structure of experimental pulmonary artery hypertension in rats and inhibitory effect of garlicin and other herbal medicines]. |
DIALLYL DISULFIDE|Allyl disulfide|2179-57-9|Diallyldisulfide|Diallyl disulphide|1,2-Diallyldisulfane|Garlicin|Disulfide, di-2-propenyl|2-Propenyl disulphide|Allyl disulphide|4,5-Dithia-1,7-octadiene|3-Allyldisulfanyl-Propene|2-Propenyl disulfide|Di(2-propenyl) disulfide|UNII-5HI47O6OA7|Disulfide, di-2-propen-1-yl|FEMA No. 2028|3-(allyldisulfanyl)prop-1-ene|5HI47O6OA7|CCRIS 6290|CHEBI:4488|CHEMBL366603|HSDB 595|3-(Allyldisulfanyl)-1-propene|Di-2-propenyl disulfide, 9CI|PFRGXCVKLLPLIP-UHFFFAOYSA-N|EINECS 218-548-6|MFCD00008656|NSC 29228|3-(prop-2-enyldisulfanyl)prop-1-ene|BRN 1699241|3-(prop-2-en-1-yldisulfanyl)prop-1-ene|AI3-35128|Allitin|diallyldisulphide|Garlicin?|diAllS2|di-Propenyl disulfide|diprop-2-enyl disulfide|di-2-Propenyl disulfide|Disulfide,di-2-propenyl|ACMC-1CDL1|AC1Q7EA7|DSSTox_CID_15206|DSSTox_RID_79248|DSSTox_GSID_35206|SCHEMBL93944|KSC491K6R|SPECTRUM1505174|3,3'-dithiobis(prop-1-ene)|AC1L28A0|Jsp004430|Allyl disulfide, >=80%, FG|DTXSID9035206|CTK3J1568|FEMA 2028|C6H10S2|MolPort-003-665-653|3-(Allyldisulfanyl)-1-propene #|KS-00000V5X|NSC29228|ZINC1531082|3,3'-disulfanediylbis(prop-1-ene)|Tox21_302178|7491AF|ANW-24581|BDBM50318453|Diallyl disulfide, >=98% (HPLC)|NSC-29228|Diallyl disulfide, analytical standard|3-(prop-2-enyldisulfanyl)-1-propene|AKOS015840490|Allyl disulfide, technical grade, 80%|API0002303|CCG-214421|FCH1114751|MCULE-7486690483|RTC-040016|TRA0072391|NCGC00095294-01|NCGC00095294-02|NCGC00255533-01|AN-20744|CC-26440|CJ-05228|CJ-24085|LS-16413|NCI60_002410|SC-77190|CAS-2179-57-9|DB-003623|TC-040016|D0071|FT-0624594|ST51038174|C08369|A815665|C-27435|SR-05000002379|I09-0165|J-014293|SR-05000002379-1|UNII-609MRV3T0J component PFRGXCVKLLPLIP-UHFFFAOYSA-N|Allyl disulfide, United States Pharmacopeia (USP) Reference Standard| |
| Macluraxanthone B |
natural product |
Cudrania tricuspidata|Maclura tinctoria |
Acyl coenzyme A:cholesterol acyltransferase 2 - Homo sapiens | Acyl coenzyme A:cholesterol acyltransferase 1 - Homo sapiens |Org= Human immunodeficiency virus 1 |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Org=Human immunodeficiency virus 1 |
3D viewer |
Pubchem |
|
5353737 |
No Cas |
CC(=CCC1=C(C(=C(C2=C1OC3=CC(=C(C=C3C2=O)O)O)O)C(C)(C)C=C)O)C |
QFYDCUMYVXSZFJ-UHFFFAOYSA-N |
396.16000 |
C23H24O6 |
1.24 |
1 |
4 |
107.22 |
12.0 |
29 |
3 |
Anti-atherosclerotic and anti-inflammatory activities of catecholic xanthones and flavonoids isolated from Cudrania tricuspidata. |
Macluraxanthone B|CHEMBL370126|CHEBI:66649|2-(1,1-Dimethyl-allyl)-1,3,6,7-tetrahydroxy-4-(3-methyl-but-2-enyl)-xanthen-9-one|Chloroxanthone A|1,3,6,7-tetrahydroxy-2-(2-methylbut-3-en-2-yl)-4-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one|AC1NS4IN|BDBM50175012|NSC692942|NSC-692942|1,3,6,7-tetrahydroxy-2-(2-methylbut-3-en-2-yl)-4-(3-methylbut-2-enyl)xanthen-9-one|1,3,6,7-tetrahydroxy-4-(3-methylbut-2-enyl)-2-(2-methylbut-3-en-2-yl)-9H-xanthen-9-one|2,3,6,8-tetrahydroxy-5-(3-methylbut-2-enyl)-7-(2-methylbut-3-en-2-yl)-9H-xanthen-9-one|2-(1,1-dimethylallyl)-1,3,6,7-tetrahydroxy-4-(3-methylbut-2-enyl)xanthen-9-one| |
| Schisandrin B |
natural product |
Schisandra chinensis|Schisandra fructus|Schisandra rubriflora|Panax ginseng|Zanthoxylum schinifolium|Schisandra sphenanthera|Fructus schiandrae |
Path=ATM pathway|ATR pathway|ATRIP pathway|PIK3CA pathway|MTOR pathway|BRCA1 pathway|CHEK1 pathway|SMC1A pathway|TP53 pathway|MAPK1 pathway|MAPK3 pathway|Gen=ATM/ATR,P-gp|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus|Multidrug resistance-associated protein 1 - Homo sapiens | DNA-dependent protein kinase - Homo sapiens | Serine-protein kinase ATM - Homo sapiens | Serine-protein kinase ATR - Homo sapiens |
Dis=Breast Cancer|Ductal Adenocarcinoma|Breast Carcinoma|Chronic Myelogenous Leukemia|Head and Neck Cancers|epidermoid carcinoma of the nasopharynx|Hepatobiliary Cancer|Hepatocellular Carcinoma|Kidney Cancer|Embryonic Kidney Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=PI3K/Akt/mTOR |
3D viewer |
Pubchem |
|
108130 |
61281-37-6 |
CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)OC)OC)OCO3 |
RTZKSTLPRTWFEV-UHFFFAOYSA-N |
400.19000 |
C23H28O6 |
0.3993 |
0 |
0 |
55.38 |
10.0 |
29 |
4 |
Effects of oxygen radicals on the conformation of sulfhydryl groups on human polymorphonuclear leukocyte membranes.|Schisandrin B protects against carbon tetrachloride toxicity by enhancing the mitochondrial glutathione redox status in mouse liver.|Hepatoprotective mechanism of schisandrin B: role of mitochondrial glutathione antioxidant status and heat shock proteins.|Hepatoprotective action of schisandrin B against carbon tetrachloride toxicity was mediated by both enhancement of mitochondrial glutathione status and induction of heat shock proteins in mice.|Antioxidative effect of schisanhenol on human low density lipoprotein and its quantum chemical calculation.|Schisandrin B protects myocardial ischemia-reperfusion injury partly by inducing Hsp25 and Hsp70 expression in rats. |
Schisandrin B|Schizandrin B|61281-37-6|gamma-Schisandrin|Gamma-schizandrin|CHEMBL479488|1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo3',4'cycloocta1',2':4,5benzo1,2-d1,3dioxole|Q-100707|Schizandrin-B|Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxole, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, stereoisomer|S(-) Schisandrin B|Gamma-Schisandrin ,(S)|AC1L33EB|AC1Q703N|SCHEMBL3380716|CTK8D7637|MolPort-006-668-443|HMS3652I13|BDBM50341711|AKOS015897166|API0002859|CCG-208607|MCULE-2402982355|NCGC00163663-01|AN-39354|LS-33970|SC-49964|V1533|281S376|SR-05000002175|I07-0288|SR-05000002175-2| |
| Vibsanin S |
natural product |
Viburnum awabuki |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
11293010 |
No Cas |
CC(=CC(=O)OC1C=CC(CC=C(CCC2C1(O2)C)CO)(C)CCC(C(=C)C)O)C |
DKSGHWFSPWAVLA-SZKYJHLSSA-N |
418.27000 |
C25H38O5 |
2.3348 |
5 |
2 |
79.29 |
15.0 |
30 |
2 |
|
|
| 2-((1S,6S)-3-Methyl-6-(Prop-1-En-2-Yl)Cyclohex-2-Enyl)-5-Pentylbenzene-1,3-Diol |
natural product |
Cannabis sativa|Uvariopsis solheidii|Cannabis indica|Pterogyne nitens|Anaerobic eubacterium|Glochidion eriocarpum|Platismatia glauca |
Path=FAAH pathway|TRPV1 pathway|CASP3 pathway|Cannabinoid CB1 receptor - Rattus norvegicus |
Dis=Acute Myeloid Leukemia|Basophilic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Breast Carcinoma|Central Nervous System Cancers|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Kidney Cancer|human embryonic kidney contains adenovirus|Prostate Cancer|prostate Carcinoma |
3D viewer |
Pubchem |
|
36688143 |
74219-29-7 |
CCCCCC1=CC(=C(C(=C1)O)C2C=C(CCC2C(=C)C)C)O |
QHMBSVQNZZTUGM-MSOLQXFVSA-N |
314.22000 |
C21H30O2 |
0.55 |
0 |
2 |
40.46 |
11.0 |
23 |
2 |
|
(+)-Cannabidiol|CHEMBL3810140|(+)-CBD|QHMBSVQNZZTUGM-MSOLQXFVSA-N|74219-29-7|Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-|Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-, (-)-(E)-|SCHEMBL1644403|.delta.1(2)-trans-Cannabidiol|DTXSID10653182|1,3-Benzenediol, 2-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl-5-pentyl-, (1R-trans)-|ZINC1530831|BDBM50174315|MCULE-3205345923|Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-, trans-(-)-|(1S-trans)-2-3-Methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl-5-pentyl-1,3-benzenediol|1,3-Benzenediol, 2-3-methyl-6-(1-methylethenyl)-3-cyclohexen-1-yl-5-pentyl-|2-(6-Isopropenyl-3-methyl-2-cyclohexen-1-yl)-5-pentyl-1,3-benzenediol-, (1R-trans)-|2-(1S,6S)-3-Methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl-5-pentyl-1,3-benzenediol|(1'S,2'S)-5'-Methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro1,1'-biphenyl-2,6-diol|NCGC00385066-01!2-(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl-5-pentylbenzene-1,3-diol| |
| n.a. |
natural product |
Isodon rubescens|Rabdosia rubescens|Isodon rosthornii|Rubia cordifolia|Rosa roxburghii |
Path=BCL2 pathway|CCNB1 pathway|CDK1 pathway|DFFA pathway|EGFR pathway|PARP1 pathway|SIRT1 pathway|AIFM1 pathway|BAX pathway|CASP3 pathway|CASP8 pathway|CYCS pathway|FADD pathway|JUND pathway|MAPK14 pathway|NFKB1 pathway|FAS pathway|SREBF1 pathway|Gen=Others|Cholinesterase - Equus caballus | Acetylcholinesterase - Electrophorus electricus |Org= Mycobacterium phlei | Mycobacterium smegmatis |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Gen=Others |
3D viewer |
Pubchem |
|
5321010 |
28957-04-2 |
CC1(CCC(C23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)O)C |
SDHTXBWLVGWJFT-XKCURVIJSA-N |
364.19000 |
C20H28O6 |
-1.9745 |
6 |
4 |
107.22 |
6.0 |
26 |
3 |
Oridonin induced A375-S2 cell apoptosis via bax-regulated caspase pathway activation, dependent on the cytochrome c/caspase-9 apoptosome.|Oridonin induces apoptosis of HeLa cells via altering expression of Bcl-2/Bax and activating caspase-3/ICAD pathway.|Anti-proliferation effect of oridonin on HL-60 cells and its mechanism.|Antiproliferation effects of oridonin on HL-60 cells.|Oridonin induces a caspase-independent but mitochondria- and MAPK-dependent cell death in the murine fibrosarcoma cell line L929.|Cytochrome c release from oridonin-treated apoptotic A375-S2 cells is dependent on p53 and extracellular signal-regulated kinase activation. |
Oridonin|28957-04-2|Oridonine|UNII-0APJ98UCLQ|0APJ98UCLQ|ISODONOL|Rubescensin A|NSC 250682|Rubescensin|C20H28O6|Oridonin A|(14R)-7-alpha,20-Epoxy-1-alpha,6-beta,7,14-tetrahydroxykaur-16-en-15-one|(1-alpha,6-beta,7-alpha,14R)-7,20-Epoxy-1,6,7,14-tetrahydroxykaur-16-en-15-one|Kaur-16-en-15-one, 7,20-epoxy-1,6,7,14-tetrahydroxy-, (1alpha,6beta,7alpha,14R)-|Curator_000006|CHEMBL1164920|SCHEMBL19217133|CHEBI:138236|KAUR-16-EN-15-ONE, 7-alpha,20-EPOXY-1-alpha,6-beta,7,14-TETRAHYDROXY-, (14R)-|MolPort-020-005-638|ZINC12661785|AKOS025310967|CCG-208386|AS-15421|P269|AB0016908|ST24048847|957O042|(1alpha,6beta,7alpha,14R)-7,20-epoxy-1,6,7,14-tetrahydroxykaur-16-en-15-one|Kaur-16-en-15-one, 7,20-epoxy-1,6,7,14-tetrahydroxy-, (1a,6b,7a,14R)-|(1alpha,5beta,6beta,7alpha,8alpha,9beta,10alpha,13alpha,14R)-1,6,7,14-tetrahydroxy-7,20-epoxykaur-16-en-15-one|18288-82-9| |
| (-)-Beta-Elemene |
natural product |
Nephthea brassica|Curcuma wenyujin|Perillae fructus|Citrus maxima|Citrus reticulata|Citrus unshiu|Citrus medica|Curcuma kwangsiensis|Cyperus rotundus|Platycladus orientalis|Ligusticum chuanxiong |
Path=MAPK14 pathway |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Central Nervous System Cancers|Glioblastoma |
3D viewer |
Pubchem |
|
6431151 |
No Cas |
CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C |
OPFTUNCRGUEPRZ-RRFJBIMHSA-N |
204.19000 |
C15H24 |
3.2309 |
0 |
0 |
0.00 |
6.0 |
15 |
1 |
Aroma compound analysis of Piper nigrum and Piper guineense essential oils from Cameroon using solid-phase microextraction-gas chromatography, solid-phase microextraction-gas chromatography-mass spectrometry and olfactometry.|[Reversal of resistance to adriamycin in human breast cancer cell line MCF-7/ADM by beta-elemene].|Antitumor effect of beta-elemene in non-small-cell lung cancer cells is mediated via induction of cell cycle arrest and apoptotic cell death.|Antiproliferative effect of beta-elemene in chemoresistant ovarian carcinoma cells is mediated through arrest of the cell cycle at the G2-M phase.|Headspace solid-phase microextraction-gas chromatography--mass spectrometry analysis of the volatile compounds of Evodia species fruits.|The rice (E)-beta-caryophyllene synthase (OsTPS3) accounts for the major inducible volatile sesquiterpenes. |
(-)-cis-.beta.-Elemene|AC1O5BWV|CHEMBL479707|Cyclohexane, 2,4-diisopropenyl-1-methyl-1-vinyl-, (1S,2R,4R)- (-)-|MolPort-044-559-858|OPFTUNCRGUEPRZ-RRFJBIMHSA-N|Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, 1S-(1.alpha.,2.beta.,4.beta.)-|ZINC44431032|SC-95184|(1S,2R,4S)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane |
| 13-Hydroxy-14-Oxocacalohastin |
natural product |
Roldana angulifolia|Buxus sempervirens|Quercus gambelii|Streptomyces mutabilis|Gentiana algida|Streptomyces propurpuratus|Perymenium discolor|Amomum villosum|Callistemon lanceolatus|Petasites frigidus var. palmatus|Pertusaria sulphurata|Jacobaea abrotanifolia |
|
Dis=Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Prostate Cancer|Prostate Adenocarcinoma |
3D viewer |
Pubchem |
|
637824 |
No Cas |
CC1CC=CC2=C1C(=C3C(=COC3=C2OC)CO)C=O |
OGSLGCUQMDVTNB-VIFPVBQESA-N |
272.10000 |
C16H16O4 |
-0.1834 |
2 |
1 |
59.67 |
6.0 |
20 |
3 |
|
|
| Methysticin |
natural product |
Piper methysticum |
Path=ABCB1 pathway|CHUK pathway|NFKB1 pathway|PTGS2 pathway|RELA pathway|NFKBIA pathway|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus | Nuclear receptor ROR-gamma - Mus musculus | Cellular tumor antigen p53 - Homo sapiens | Retinoid X receptor alpha - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Nuclear receptor subfamily 1 group I member 2 - Rattus norvegicus | Thyroid stimulating hormone receptor - Homo sapiens | Survival motor neuron protein - Homo sapiens | Androgen Receptor - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Nuclear receptor ROR-gamma - Homo sapiens |Org= Trichoderma viride | Fusarium oxysporum | Fusarium solani | Lactuca sativa | Echinochloa crus-galli |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Melanoma|Murine Melanoma|Org=Trichoderma viride | Fusarium oxysporum | Fusarium solani | Lactuca sativa | Echinochloa crus-galli |
3D viewer |
Pubchem |
|
5281567 |
495-85-2 |
COC1=CC(=O)OC(C1)C=CC2=CC3=C(C=C2)OCO3 |
GTEXBOVBADJOQH-FWEMWIAWSA-N |
274.08000 |
C15H14O5 |
0.1417 |
3 |
0 |
53.99 |
4.0 |
20 |
3 |
Inhibition of cytochrome P450 3A4 by extracts and kavalactones of Piper methysticum (Kava-Kava).|Pharmacokinetics and disposition of the kavalactone kawain: interaction with kava extract and kavalactones in vivo and in vitro.|Mass spectrometry-based screening for inhibitors of beta-amyloid protein aggregation.|Herbicidal and Fungicidal Activities of Lactones in Kava (Piper methysticum).|Identification of methysticin as a potent and non-toxic NF-kappaB inhibitor from kava, potentially responsible for kava's chemopreventive activity.|A novel kavalactone derivative protects against H2O2-induced PC12 cell death via Nrf2/ARE activation. |
Methysticin|Kavatin|Kavahin|(+)-Methysticin|495-85-2|Methylsticin|NSC 112158|UNII-M832AIJ6HX|BRN 0091701|M832AIJ6HX|CHEBI:6895|GTEXBOVBADJOQH-FWEMWIAWSA-N|(R)-5,6-Dihydro-4-methoxy-6-(3,4-(methylenedioxy)styryl)-2H-pyran-2-one|4-Methoxy-6-(beta-(3',4'-methylenedioxyphenyl)vinyl)-5,6-dihydro-alpha-pyrone|(2R)-2-(E)-2-(1,3-benzodioxol-5-yl)ethenyl-4-methoxy-2,3-dihydropyran-6-one|(R-(E))-6-(2-(1,3-Benzodioxol-5-yl)ethenyl)-5,6-dihydro-4-methoxy-2H-pyran-2-one|5-Hydroxy-3-methoxy-7-(3,4-(methylenedioxy)phenyl)-2,6-heptadienoic acid gamma-lactone|2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(3,4-(methylenedioxy)styryl)-, (R)-|C15H14O5|d-Methysticin|CCRIS 9370|AC1NQYN1|DSSTox_CID_13674|DSSTox_RID_79091|DSSTox_GSID_33674|5-19-10-00456 (Beilstein Handbook Reference)|CHEMBL579224|SCHEMBL1393508|DTXSID5033674|MolPort-019-937-242|ZINC1608667|Tox21_200901|NSC112158|AKOS030573530|NSC-112158|VN10053|(6R)-6-(1E)-2-(1,3-Benzodioxol-5-yl)ethenyl-5,6-dihydro-4-methoxy-2H-pyran-2-one|R-(+)-Methysticin, analytical standard|NCGC00091903-01|NCGC00091903-02|NCGC00258455-01|CAS-495-85-2|CJ-25960|LS-127432|C09952|A827756|(2R)-2-(E)-2-(1,3-benzodioxol-5-yl)vinyl-4-methoxy-2,3-dihydropyran-6-one|(6R)-6-(E)-2-(1,3-benzodioxol-5-yl)vinyl-4-methoxy-5,6-dihydro-2H-pyran-2-one|2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(3,4-(methylenedioxy)styryl)-, (R)- (VAN)|2H-Pyran-2-one, 6-(2-(1,3-benzodioxol-5-yl)ethenyl)-5,6-dihydro-4-methoxy-, (R-(E))-|2H-Pyran-2-one,3-benzodioxol-5-yl)ethenyl-5,6-dihydro-4-methoxy-, R-(E)-|2H-Pyran-2-one,6-dihydro-4-methoxy-6-3,4-(methylenedioxy)styryl-, (+)-|2H-Pyran-2-one,6-dihydro-4-methoxy-6-3,4-(methylenedioxy)styryl-, (R)-|2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(3,4-(methylenedioxy)styryl)-, (R)- (VAN) (8CI)|2H-Pyran-2-one, 6-(2-(1,3-benzodioxol-5-yl)ethenyl)-5,6-dihydro-4-methoxy-, (R-(E))- (9CI)| |
| (7's,8's)-Bilagrewin |
natural product |
Santalum album|Zanthoxylum avicennae|Cortinarius violaceus|Streptomyces gannmycicus|Phascolosoma elongatum |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia |
3D viewer |
Pubchem |
|
11567569 |
No Cas |
COC1=CC(=CC2=C1OC(C(O2)C3=CC(=C(C(=C3)OC)O)OC)CO)C=CC=O |
NEVUVMGBMOQVHU-BJUCQYRTSA-N |
402.13000 |
C21H22O8 |
-1.3047 |
2 |
2 |
103.68 |
12.0 |
29 |
3 |
|
|
| Bryostatin |
natural product |
Bugula neritina |
Path=EIF4G1 pathway|PRKCA pathway|BCL2 pathway|TP53 pathway|Protein kinase C delta - Homo sapiens | Protein kinase C alpha - Homo sapiens | Androgen Receptor - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Acute Monocytic Leukemia |Acute Promyelocytic Leukemia|Non-Hodgkin's Lymphomas|lymphoma|Histiocytic Lymphoma |
3D viewer |
Pubchem |
|
5280757 |
83314-01-6 |
CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(OC(=O)CC(CC3CC(C(C(O3)(CC4CC(=CC(=O)OC)CC(O4)C=CC(C1(O2)O)(C)C)O)(C)C)OC(=O)C)O)C(C)O |
MJQUEDHRCUIRLF-TVIXENOKSA-N |
904.45000 |
C47H68O17 |
-0.3618 |
17 |
4 |
240.11 |
26.0 |
64 |
4 |
Laboratory and phase I studies of new cancer drugs.|Activation of human immunodeficiency virus type 1 provirus in T-cells and macrophages is associated with induction of inducer-specific NF-kappa B binding proteins.|Effect of bryostatin 1 on the in vitro radioprotective capacity of recombinant granulocyte-macrophage colony-stimulating factor (rGM-CSF) toward committed human myeloid progenitor cells (CFU-GM).|Differential inhibition by staurosporine of phorbol ester, bryostatin and okadaic acid effects on mouse skin.|Two protein kinase C activators, bryostatin-1 and phorbol-12-myristate-13-acetate, have different effects on haemopoietic cell proliferation and differentiation.|Bryostatin 1 modulates the proliferation and lineage commitment of human myeloid progenitor cells exposed to recombinant interleukin-3 and recombinant granulocyte-macrophage colony-stimulating factor. |
Bryostatin 1|UNII-37O2X55Y9E|83314-01-6|CHEMBL449158|Bryostatin-1|CHEBI:88353|37O2X55Y9E|BRYOSTATIN|NSC 339555|BRN 4349157|NSC-339555|NCGC00181150-01|(1S-(1R*,3R*,5Z,7S*,8E,11R*,12R*(2E,4E),13E,15R*,17S*(S*),21S*,23S*,25R*))-25-(Acetyloxy)-1,11,21-trihydroxy-17-(1-hydroxyethyl)-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo(21.3.1.13,7.111,15)nonacos-8-en-12-yl 2,4-octadienoate|2,4-Octadienoic acid, 25-(acetyloxy)-1,11,21-trihydroxy-17-(1-hydroxyethyl)-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo(21.3.1.13,7.111,15)nonacos-8-en-12-yl ester, (1S-(1R*,3R*,5Z,7S*,8E,11R*,12R*(2E,4E),13E,15R*,17S*(S*),21S*,23S*,25R*))-|DSSTox_CID_26876|DSSTox_RID_81981|DSSTox_GSID_46876|SCHEMBL182960|DTXSID8046876|Bryostatin 1, >=99%, solid|MJQUEDHRCUIRLF-TVIXENOKSA-N|2,4-Octadienoic acid, (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-((1R)-1-hydroxyethyl)-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo(21.3.1.13,7.111,15)nonacos-8-en-12-yl ester, (2E,4E)-|Tox21_112754|BDBM50258529|BMY-45618|MFCD00893832|AKOS032946513|ZINC169357315|CAS-83314-01-6|(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-(1R)-1-hydroxyethyl-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo21.3.1.1(3,7).1(11,15)nonacos-8-en-12-yl (2E,4E)-octa-2,4-dienoate| |
| Nerolidiol |
natural product |
Satureja montana|Comptonia peregrina|Lindera aggregata|Zingiberis rhizoma|Curcuma phaeocaulis|Lindera strichnifolia|Angelica dahurica|Curcuma wenyujin|Lobelia chinensis|Magnolia officinalis rehd et wils|Dalbergia odorifera|Lonicera japonica|Eriobotryae folium|Elettaria cardamomum|Mosla chinensis|Cnidii fructus|Elsholtzia ciliata|Panax ginseng|Ephedra herba|Foeniculum vulgare|Panax notoginseng|Acorus calamus|Ginkgo biloba|Panax quinquefolius|Amomum compactum|Hypericum perforatum|Perilla frutescens|Amomum krervanh|Illicium verum|Piper nigrum|Angelica acutiloba|Laggera pterodonta|Prunella vulgaris|Angelica gigas|Schisandra chinensis|Angelica sinensis|Vitex negundo|Artemisia argyi|Zingiber officinale|Artemisia capillaris|Prunus persica|Artemisia montana|Artemisia princeps|Saussurea costus|Bupleurum chinense|Bupleurum falcatum|Bupleurum scorzonerifolium|Capsicum annuum|Senna alexandrina|Chrysanthemum zawadskii|Actaea dahurica|Actaea cimicifuga|Maprounea guianensis|Lepechinia caulescens|Actaea heracleifolia|Pseudotsuga sinensis var. wilsoniana|Actaea simplex|Pseudomonas fluorescens|Cinamomum cassia|Peritassa campestris|Cinnamomum aromaticum|Bonnemaisonia asparagoides|Citrus aurantium|Aucklandiae radix|Curcuma kwangsiensis|Dalbergiae odoriferae lignum|Curcuma longa |
Org=Plasmodium falciparum | Plasmodium falciparum (isolate K1 / Thailand) |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Org=Plasmodium falciparum | Plasmodium falciparum (isolate K1 / Thailand) |
3D viewer |
Pubchem |
4MC3 |
5356544 |
142-50-7 |
CC(=CCCC(=CCCC(C)(C=C)O)C)C |
FQTLCLSUCSAZDY-QKXCFHHRSA-N |
222.20000 |
C15H26O |
3.7014 |
1 |
1 |
20.23 |
12.0 |
16 |
0 |
Inhibition of azoxymethane-induced neoplasia of the large bowel by 3-hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene (nerolidol).|Antimycobacterial plant terpenoids.|Characterization of the isoprenoid chain of coenzyme Q in Plasmodium falciparum.|Activity and mechanisms of action of selected biocidal agents on Gram-positive and -negative bacteria.|Differential timing of spider mite-induced direct and indirect defenses in tomato plants.|Antileishmanial activity of the terpene nerolidol. |
d-Nerolidol|(+)-Nerolidol|Peruviol|(s)-nerolidol|142-50-7|UNII-89V5Z0JC8J|NEROLIDOL|(Z)-Nerolidol|89V5Z0JC8J|NSC60598|NSC406963|(3S,6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol|NSC 60598|Nerolidol (VAN)|Nerolidol, cis-(+)-|1,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, S-(Z)-|Nerolidiol|1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3S,6Z)-|1,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (Z)-(S)-(+)-|EINECS 205-540-2|(S)-cis-Nerolidol|(+)-cis-Nerolidol|NSC 406963|(6Z)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol|AC1NS9C9|Nerolidol, (6Z)-(+)-|CHEMBL561014|SCHEMBL6514677|DTXSID4047048|NSC-60598|ZINC13319968|NSC-406963|CJ-14349|UNII-81K23DEF7B component FQTLCLSUCSAZDY-QKXCFHHRSA-N|UNII-C65VP6N2VX component FQTLCLSUCSAZDY-QKXCFHHRSA-N|UNII-QR6IP857S6 component FQTLCLSUCSAZDY-QKXCFHHRSA-N|(Z)-(S)-(+)-3,7,11-trimethyl-1,6,10-Dodecatrien-3-ol|3,7,11-Trimethyl-(3S,6Z)-(+)-1,6,10-Dodecatrien-3-ol|3,7,11-Trimethyl-(Z)-(S)-(+)-1,6,10-Dodecatrien-3-ol|1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3S,6Z)-(+)-|11055-57-5|14528-94-0| |
| Ohioensin H |
natural product |
Polytrichum commune|Sidnyum turbinatum|Croton ruizianus|Oxytropis muricata|Anabaena laxa|Flavoparmelia euplecta|Adesmia boronioides |
|
Dis=Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Adult T-cell leukemia/lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
44233687 |
No Cas |
C1C2C3C(C4=C(C=C(C=C4)O)C5=C3C(=C(C=C5O)O)C1=O)OC6=CC=CC=C26 |
QPKCEEFQPFTYIX-IJIZOXLDSA-N |
372.10000 |
C23H16O5 |
-1.883 |
1 |
3 |
86.99 |
3.0 |
28 |
6 |
|
|
| Flemichin D |
natural product |
Flemingia philippinensis|Eriosema chinense|Flemingia wallichii |
Tyrosinase - Agaricus bisporus |Org= Mycobacterium tuberculosis |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Org=Mycobacterium tuberculosis |
3D viewer |
Pubchem |
|
124344 |
57096-07-8 |
CC(=CCC1=C2C(=C(C3=C1OC(C=C3)(C)C)O)C(=O)CC(O2)C4=C(C=C(C=C4)O)O)C |
DFVFCZXJTRKRPI-FQEVSTJZSA-N |
422.17000 |
C25H26O6 |
0.9708 |
1 |
3 |
96.22 |
10.0 |
31 |
4 |
|Cytotoxic and antimycobacterial prenylated flavonoids from the roots of Eriosema chinense.|Inhibition of tyrosinase activity by polyphenol compounds from Flemingia philippinensis roots. |
|
| Pellitorin |
natural product |
Piper nigrum|Acanthosyris paulo-alvinii|Rhododendron latoucheae|Gyalolechia fulgida|Brickellia longifolia|Homalium laurifolium|Kopsia jasminiflora|Crocus corsicus|Pinus hartwegii|Dracontium loretense|Libanotis transcaucasica|Betula alnoides|Alstonia vitiensis|Palisota barteri|Gymnosporia trigyna|Dioscorea sativa|Leifsonia aquatica|Pocillopora damicornis|Photorhabdus luminescens|Iris spuria|Phoebe grandis|Streptomyces amakusaensis|Pothomorphe peltata|Corydalis thalictrifolia|Cochlearia officinalis|Verbesina virginica|Lophocolea bidentata|Kopsia lapidilecta|Carpesium longifolium|Aglaia perviridis|Frullania brasiliensis|Silene banksia|Pagrus major|Umbilicaria hypococcinea|Achillea falcata|Kallichroma tethys|Bupleurum rigidum|Dichotomanthes tristaniicarpa|Agaricus xanthodermus|Castilleja sulphurea|Aconitum episcopale|Mycoplasma mycoides|Venus mercenaria|Penicillium puberulum|Candida albicaus|Hippocrepis emerus|Odontocline hollickii|Forsythia japonica|Penicillium tardum|Monascus rubropunctatus|Huperzia miyoshiana|Schefflera venulosa|Plenckia populnea|Dryobalanops camphora|Didymosphaeria enalia|Anoplophora chinensis|Podocarpus minor|Rubus trifidus|Ardisia japonica|Pseudobrickellia brasiliensis|Matsumurella chinensis|Garcinia oligantha|Pinus aristata|Parmelia vittata|Piper sarmentosum|Piperis fructus|Cacia concinna|Euphorbia wangii|Abies webbiana|dinosperma erythrococca|Cornus officinalis|Piper retrofractum|Pseudomonas stutzeri|Piper longum|Rhizoma dioscoreae|Ardisia arborescens|Eucalyptus hybrid|Piperis longi fructus|Bellardia viscosa|Phytolacca thyrsiflora|Tephrosia semiglabra|Aromia moschata|Protaetia cuprea|Lindera aggregata|Calliandra eriophylla|Corymbia scabrida|Piper boehmeriaefolium|Scabiosa rotata|Oocystis polymorpha|Piper kadsura|Coelogyne nitida|Rubus pileatus|Nymphaea caerulea|Dryopteris arguta |
Intercellular adhesion molecule-1 - Homo sapiens |Org= Aedes aegypti | Diatraea saccharalis | Mycobacterium tuberculosis H37Ra | Trypanosoma cruzi |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Org=Aedes aegypti | Diatraea saccharalis | Mycobacterium tuberculosis H37Ra | Trypanosoma cruzi |
3D viewer |
Pubchem |
|
5318516 |
18836-52-7 |
CCCCCC=CC=CC(=O)NCC(C)C |
MAGQQZHFHJDIRE-BNFZFUHLSA-N |
223.19000 |
C14H25NO |
0.5505 |
2 |
1 |
32.59 |
12.0 |
16 |
0 |
Antithrombotic activities of pellitorine in vitro and in vivo.|Novel histopathological and molecular effects of natural compound pellitorine on larval midgut epithelium and anal gills of Aedes aegypti.|Vascular barrier protective effects of pellitorine in LPS-induced inflammation in vitro and in vivo.|Thiosemicarbazones as Aedes aegypti larvicidal.|Nonivamide, a capsaicin analogue, exhibits anti-inflammatory properties in peripheral blood mononuclear cells and U-937 macrophages.|Larvicidal activity of lignans and alkaloid identified in Zanthoxylum piperitum bark toward insecticide-susceptible and wild Culex pipiens pallens and Aedes aegypti. |
Pellitorine|Pellitorin|18836-52-7|trans-Pellitorin|(E,E)-N-(2-Methylpropyl)-2,4-decadienamide|(E,E)-N-Isobutyl-2,4-decadienamide|N-Isobutyldeca-trans-2,trans-4-dienamide|UNII-8IS5231171|2,4-DECADIENAMIDE, N-ISOBUTYL-, (E,E)-|2,4-Decadienamide, N-(2-methylpropyl)-, (E,E)-|BRN 1725967|AI3-19560|CHEBI:69686|MAGQQZHFHJDIRE-BNFZFUHLSA-N|Pellitorine (6CI)|2,4-Decadienamide, N-(2-methylpropyl)-, (2E,4E)-|8IS5231171|(2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide|N-(2-Methylpropyl)-2,4-Decadienamide|Optaflow A|trans-Pellitorine|53608-76-7|AC1NSWY2|4-04-00-00636 (Beilstein Handbook Reference)|SCHEMBL258097|SCHEMBL258098|CHEMBL271242|MEGxp0_000048|MolPort-001-740-217|isobutyl (E,E)-2,4-decadienamide|ZINC13838505|AKOS028109310|MCULE-8801125679|2E,4E-decadienoic acid-N-isobutylamide|(2E,4E)-N-isobutyldeca-2,4-dienamide|LS-59229|A1-06834|J-012138|2,4-Decadienamide,N-(2-methylpropyl)-, (2E,4E)-|(2E,4E)-N-(2-methyl-propyl)-deca-2,4-dienoic acid amide|NCGC00385817-01!(2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide| |
| Sarcrassin D |
natural product |
Sarcophyton ehrenbergi |
|
Dis=Cervical Cancer|Cervical Adenocarcinoma|Cervical Carcinoma Papilloma |Chronic Myelogenous Leukemia|Human umbilical vein endothelial cell |
3D viewer |
Pubchem |
|
44559143 |
No Cas |
CC(C)C1=CC=C(CCC(C2(CCC=C(CC1)C(=O)O2)C)OC(=O)C)C(=O)OC |
GCDVQIVAHBRSQZ-JMCMXBSOSA-N |
404.22000 |
C23H32O6 |
1.743 |
6 |
0 |
78.90 |
10.0 |
29 |
2 |
|
|
| n.a. |
natural product |
Artemisia annua|Artemisia apiacea |
Path=MAPK14 pathway|CASP3 pathway|P-glycoprotein 1 - Homo sapiens |Org= Plasmodium falciparum 3D7 | Plasmodium falciparum |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Non-small Cell Lung Cancer|Gen=Others |
3D viewer |
Pubchem |
|
179336 |
81496-81-3 |
CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)O)C |
BJDCWCLMFKKGEE-FTRRWEDQSA-N |
284.16000 |
C15H24O5 |
0.2487 |
5 |
1 |
57.15 |
4.0 |
20 |
3 |
|
|
| Holacurtinol |
natural product |
Holarrhena curtisii |
Org=Leishmania donovani |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Org=Leishmania donovani |
3D viewer |
Pubchem |
|
10624956 |
No Cas |
CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CC(C5(C4CC=C3C2)O)O)C(=O)C)C)C)OC)N |
SFUVPIJMDPWZBZ-CIOVMACQSA-N |
491.32000 |
C28H45NO6 |
-2.1215 |
7 |
3 |
111.24 |
12.0 |
35 |
5 |
|
|
| Besigomsin |
natural product |
Schisandra chinensis|Schisandra sphenanthera|Hypoxylon rubiginosum|Artemisia cina|Alstonia muelleriana|Panax ginseng|Uvaria calamistrata|Panax schinseng|Tripolium pannonicum|Dacrydium cupressinum|Haematococcus lacustris|Streptomyces flocculus|Passiflora incarnata|Trigonella grandiflora|Pterocladiella tenuis|Tachigalia paniculata|Saccharomyces pastori|Nicotiana undulata|Senecio paludaffinis|Coreopsis nodosa|Glycine tomentella|Schisandrae chinensis fructus |
ATP-dependent DNA helicase Q1 - Homo sapiens | Geminin - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens |Org= Plasmodium falciparum |
Dis=Central Nervous System Cancers|Colorectal Cancer|Colorectal Adenocarcinoma|Neuroendocrine Tumors|Pheochromocytoma|Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Org=Plasmodium falciparum |
3D viewer |
Pubchem |
|
3001662 |
58546-54-6 |
CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1(C)O)OC)OC)OC)OC)OCO3 |
ZWRRJEICIPUPHZ-MYODQAERSA-N |
416.18000 |
C23H28O7 |
-0.0398 |
1 |
1 |
75.61 |
11.0 |
30 |
4 |
Effect of gomisin A in an immunologically-induced acute hepatic failure model.|Effect of gomisin A (TJN-101) on the arachidonic acid cascade in macrophages.|The effect of gomisin A on immunologic liver injury in mice.|Occurrence of autoimmune antibodies to liver microsomal proteins associated with lethal hepatitis in LEC rats: effects of TJN-101 ((+)-(6S,7S,R-biar)- 5,6,7,8-tetrahydro-1,2,3,12-tetramethoxy-6,7-dimethyl-10,11- methylenedioxy-6-dibenzo[a,c]cyclooctenol) on the development of hepatitis and the autoantibodies.|Microsphere-based protease assays and screening application for lethal factor and factor Xa.|Amyloid-beta-induced cytotoxicity of PC-12 cell was attenuated by Shengmai-san through redox regulation and outgrowth induction. |
Gomisin A|Besigomsin|Schisandrol B|UNII-L5U70J87J8|58546-54-6|Wuweizichun B|TJN-101|Wuweizi alcohol B|L5U70J87J8|Besigomsin INN|CCRIS 6993|Gomisin-A|AC1MHDW8|MLS000728488|SCHEMBL712401|CHEMBL403578|MolPort-006-668-420|ZWRRJEICIPUPHZ-MYODQAERSA-N|Gomisin A, >=98% (HPLC)|HMS2235K12|(+)-(6S,7S, biar-R)-5,6,7,8-Tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethylbenzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-6-ol|61281-39-8|Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-6-ol, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, stereoisomer|Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-6-ol, 5,6,7,8-tetrahydro-6,7-dimethyl-1,2,3,13-tetramethoxy-, stereoisomer|HY-N0692|ZINC4212127|AKOS032962033|Irsogladine maleate, >=98% (HPLC)|CS-3662|SMR000445695|FT-0686702| |
| Cannabigerol |
natural product |
Cannabis sativa|Helichrysum|Cannabis sativa var. indica|Helichrysum umbraculigerum |
Path=TRPV1 pathway|Vanilloid receptor - Homo sapiens | Transient receptor potential cation channel subfamily A member 1 - Rattus norvegicus | Transient receptor potential cation channel subfamily V member 2 - Rattus norvegicus | Transient receptor potential cation channel subfamily M member 8 - Rattus norvegicus | Cannabinoid CB1 receptor - Homo sapiens | Cannabinoid CB2 receptor - Homo sapiens |Org= Staphylococcus aureus |
Dis=Acute Myeloid Leukemia|Basophilic Leukemia|Breast Cancer|Breast Carcinoma|Ductal Adenocarcinoma|Central Nervous System Cancers|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Prostate Cancer|prostate Carcinoma|Org=Staphylococcus aureus |
3D viewer |
Pubchem |
|
5315659 |
25654-31-3 |
CCCCCC1=CC(=C(C(=C1)O)CC=C(C)CCC=C(C)C)O |
QXACEHWTBCFNSA-SFQUDFHCSA-N |
316.24000 |
C21H32O2 |
1.4387 |
0 |
2 |
40.46 |
15.0 |
23 |
1 |
Molar volume relationships and the specific inhibition of a synaptosomal enzyme by psychoactive cannabinoids.|Boron trifluoride etherate on silica-A modified Lewis acid reagent (VII). Antitumor activity of cannabigerol against human oral epitheloid carcinoma cells.|Synthesis and cytotoxic effects of deoxy-tomentellin.|Evidence that the plant cannabinoid cannabigerol is a highly potent alpha2-adrenoceptor agonist and moderately potent 5HT1A receptor antagonist.|Bioactive prenylogous cannabinoid from fiber hemp (Cannabis sativa).|A cannabigerol quinone alleviates neuroinflammation in a chronic model of multiple sclerosis. |
Cannabigerol|25654-31-3|UNII-J1K406072N|CHEMBL497318|CHEBI:69477|QXACEHWTBCFNSA-SFQUDFHCSA-N|J1K406072N|2808-33-5|1,3-Benzenediol, 2-(3,7-dimethyl-2,6-octadienyl)-5-pentyl-, (E)-|2-(2E)-3,7-Dimethyl-2,6-octadienyl)-5-pentyl-1,3-benzenediol|2-(2E)-3,7-Dimethyl-2,6-octadienyl-5-pentyl-1,3-benzenediol|AC1NSTCB|SCHEMBL144819|SCHEMBL14764730|Resorcinol, 2-(3,7-dimethyl-2,6-octadienyl)-5-pentyl-|MolPort-005-945-423|1,3-Benzenediol, 2-(3,7-dimethyl-2,6-octadienyl)-5-pentyl-|BCP23754|ZINC4217650|BDBM50318487|AKOS024457386|API0013841|LS-174109|C20219|2-(3,7-Dimethyl-2,6-octadienyl)-5-pentylresorcinol|(E)-2-(3,7-Dimethyl-2,6-octadienyl)-5-pentylresorcinol|(E)-2-(3,7-Dimethyl-2,6-octadienyl)-5-pentyl-1,3-benzenediol|2-(2E)-3,7-dimethylocta-2,6-dienyl-5-pentyl-benzene-1,3-diol|2-(2E)-3,7-dimethylocta-2,6-dienyl-5-pentylbenzene-1,3-diol|1,3-Benzenediol,2-(2E)-3,7-dimethyl-2,6-octadien-1-yl-5-pentyl-|2-(2E)-3,7-Dimethyl-2,6-octadien-1-yl-5-pentyl-1,3-benzenediol|2-(2E)-3,7-Dimethyl-2,6-octadienyl-5-pentyl-1,3-benzenediol #|Cannabigerol solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material|26645-67-0| |
| Caseargrewins F |
natural product |
Casearia sylvestris |
|
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|ileocecal colorectal adenocarcinoma |
3D viewer |
Pubchem |
|
16756885 |
No Cas |
CCCC(=O)OC1CC2C(C(CC(C23C(OC(C3=C1)OC(=O)C)OC(=O)C)O)C)(C)CC=C(C)C=C |
KXTKGXJAUXXXBP-ZAQWCCOOSA-N |
504.27000 |
C28H40O8 |
1.725 |
8 |
1 |
108.36 |
18.0 |
36 |
3 |
|Morphological and biochemical alterations activated by antitumor clerodane diterpenes. |
|
| Chaparrinone |
natural product |
Hannoa chlorantha|Simaba cedron|Ailanthus altissima |
Glucose transporter - Leishmania mexicana | Hexose transporter 1 - Plasmodium falciparum | Glucose transporter - Homo sapiens |Org= Plasmodium falciparum |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Org=Plasmodium falciparum |
3D viewer |
Pubchem |
|
73154 |
No Cas |
CC1C2CC(=O)OC3C24COC(C1O)(C4C5(C(C3)C(=CC(=O)C5O)C)C)O |
VLYMLZRDCSQUQF-RZUZYEBMSA-N |
378.17000 |
C20H26O7 |
-1.2786 |
7 |
3 |
113.29 |
6.0 |
27 |
5 |
Growth inhibitory, insecticidal and antifeedant effects of some antileukemic and cytotoxic quassinoids on two species of agricultural pests.|Biochemical Screening of Five Protein Kinases from Plasmodium falciparum against 14,000 Cell-Active Compounds. |
Chaparrinone|(-)-Chaparrinone|TCMDC-142261|CHAPARRINONE B810280K028|NSC 288754|22611-34-3|CHEBI:3578|(1-beta,11-beta,12-alpha)-11,20-Epoxy-1,11,12-trihydroxypicras-3-ene-2,16-dione|Picras-3-ene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-, (1-beta,11-beta,12-alpha)-|NSC-288754|Chaparrinone (7CI)|AC1L2JD5|trihydroxy(trimethyl)?dione|CHEMBL472016|SCHEMBL1276897|LS-109747|C08757|Picras-3-ene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-15-(2R)-2-methyl-1-oxobutoxy-,1.beta.,11.beta.,12.alpha.| |
| Catechin-(4Alpha->8)-Epicatechin |
natural product |
Hypericum perforatum|Uncaria sinensis|Ardisia virens|Lysimachia mauritiana|Gnetum latifolium|Atalantia racemosa|Juniperus rigida var. conferta|Ononis vaginalis|Drechslera avenae|Artemisia dentata|Alkanna cappadocica|Naucleopsis ternstroemiiflora|Diospyros eriantha|Anacystis montana|Hypericum laricifolium|Sabina sargentii|Osteospermum imbricatum|Sinularia depressa|Mycobacterium leprae|Solanum laxum|Salvia syriaca|Pseudoalteromonas luteoviolacea|Cotyledon secunda|Chaenomeles sinensis|Leathesia nana|Asterospicularia laurae|Ipomoea digitata|Goniothalamus malayanus|Streptomyces avermitilis|Annona cornifolia|Helipterum roseum|Scutellaria amoena|Rhizoma fagopyri cymosi|Buphane fischeri|Hedysarum connatum|Humulus lupulus|Crambe tatarica|Aldisa smaragdina|Rauvolfia vomitoria|Vaccinium oxycoccos|Phlegmariurus squarrosus|Nelumbo nucifera|Blastochloris viridis|Arachis hypogaea|Calostephane divaricata|Premna odorata|Nasutitermes ephratae|Rubus idaeus|Hymenocallis littoralis|Acacia adunca|Tripterygium hypoglaucum|Swertia franchetiana|Marrubium anisodon|Hoffmannia strigillosa|Rapanea lancifolia|Salvia hispanica|Lemaireocereus griseus|Amathia pinnata|Lepisorus ussuriensis|Astragalus sempervirens|Pteris semipinnata|Prorocentrum micans|Laurencia spectabilis|Zanthoxylum tetraspermum|Peltostigma guatemalense|Xenoacremonium recifei|Epithelantha micromeris|Dumortiera hirsuta|Eucalyptus melliodora|Viguiera incana|Millettia erythrocalyx|Caragana aurantiaca|Negombata magnifica|Syncarpia hillii|Alstonia spathulata|Rumex maritimus|Artemisia assoana|Houttuynia cordata|Vitis vinifera|Bishovia boliviensis|Hypericum japonicum|Adiantum lunulatum|Buddleja cordata|Scorzonera pseudodivaricata|Dahlia scapigera|Eriobotrya japonica|Phoebe pittieri|Pastinaca sativa|Fagopyrum dibotrys|Wikstroemia retusa|Fritillaria ningguoensis |
Org=Escherichia coli | Streptococcus pyogenes |
Dis=Central Nervous System Cancers|Glioblastoma|Chronic Myelogenous Leukemia|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Org=Escherichia coli | Streptococcus pyogenes |
3D viewer |
Pubchem |
|
147299 |
29106-51-2 |
C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O |
XFZJEEAOWLFHDH-VUGKQVTMSA-N |
578.14000 |
C30H26O12 |
-5.1813 |
2 |
10 |
220.76 |
13.0 |
42 |
6 |
|
Procyanidin B4|29106-51-2|Catechin-(4alpha->8)-epicatechin|UNII-2OP8987K2X|CHEBI:27589|2OP8987K2X|Procyanidin B4, (-)-|AC1L3UVE|SCHEMBL718738|CHEMBL447373|DTXSID50183357|XFZJEEAOWLFHDH-VUGKQVTMSA-N|ZINC4098620|LMPK12030004|Catechin-(4.alpha.-->8)epicatechin|AKOS027326530|(4,8'-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3'4,4'-tetrahydro-, (2R-(2alpha,3beta,4alpha(2'R*,3'R*)))-|C10238|(2R,2'R,3S,3'R,4S)-2,2'-Bis(3,4-dihydroxyphenyl)-4,8'-bichroman-3,3',5,5',7,7'-hexaol|(2R,2'R,3S,3'R,4S)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol|(2R,3R)-2-(3,4-dihydroxyphenyl)-8-(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl-3,4-dihydro-2H-chromene-3,5,7-triol|(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-8-ylchromane-3,5,7-triol| |
| Euscaphic Acid C |
natural product |
Euscaphis japonica| |
|
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Non-small Cell Lung Cancer|large cell carcinoma |
3D viewer |
Pubchem |
|
49831542 |
No Cas |
CC1CCC2(CCC34CC3(C2C1(C)O)C=CC5C4(CCC6C5(CC(C(C6(C)C)O)O)C)C)C(=O)O |
FJBWUBWZSSBDEN-XVNGACRRSA-N |
486.33000 |
C30H46O5 |
0.529 |
5 |
4 |
97.99 |
11.0 |
35 |
6 |
|
|
| Cinchonidine |
natural product |
Cinchona spp |
Gen=Others|Glucose transporter - Homo sapiens | Glucose transporter - Leishmania mexicana | Hexose transporter 1 - Plasmodium falciparum | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Geminin - Homo sapiens | Cytochrome P450 2D6 - Homo sapiens | Reverse transcriptase - Human immunodeficiency virus 1 | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus |Org= Plasmodium falciparum | Trypanosoma brucei brucei | Plasmodium falciparum 3D7 | Plasmodium falciparum (isolate K1 / Thailand)|Cholinesterase - Equus caballus | Glucose transporter - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | Leishmania mexicana mexicana |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Chronic Myelogenous Leukemia|Gen=Angiogenesis |
3D viewer |
Pubchem |
|
101744 |
485-71-2 |
C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O |
KMPWYEUPVWOPIM-KODHJQJWSA-N |
294.17000 |
C19H22N2O |
-0.4618 |
3 |
1 |
36.36 |
4.0 |
22 |
2 |
The multidrug resistance protein is photoaffinity labeled by a quinoline-based drug at multiple sites.|Stereospecific oxidation of the (S)-enantiomer of RS-8359, a selective and reversible monoamine oxidase A (MAO-A) inhibitor, by aldehyde oxidase.|Signaling molecularly imprinted polymers: molecular recognition-based sensing materials.|Species differences in enantioselective 2-oxidations of RS-8359, a selective and reversible MAO-A inhibitor, and cinchona alkaloids by aldehyde oxidase.|Microsphere-based protease assays and screening application for lethal factor and factor Xa.|Total synthesis of the hydroxyketone kurasoin A using asymmetric phase-transfer alkylation. |
CINCHONIDINE|(-)-Cinchonidine|485-71-2|Cinchovatine|(8S,9R)-Cinchonidine|L-Cinchonidine|alpha-Quinidine|UNII-1U622LRA8Z|TCMDC-123934|(8S,9R)-cinchonan-9-ol|a-quinidine|(8alpha,9R)-Cinchonan-9-ol|1U622LRA8Z|CHEBI:3703|Cinchonan-9-ol, (8a,9R)-|(8-alpha,9R)-Cinchonan-9-ol|(8alpha,9R)Cinchonan-9-ol|NSC 5364|2-Quinuclidinemethanol, alpha-4-quinolyl-5-vinyl-|EINECS 207-622-3|Cinchonan-9-ol, (8.alpha.,9R)-|(R)-(4S,5S,7S)-5-ethenyl-1-azabicyclo2.2.2octan-7-yl-quinolin-4-ylmethanol|AI3-15317|SR-05000001575|Cinchonan-9-ol, (8alpha,9R)-|Cinchonan-9-ol, (8a alpha,9R)-|MFCD00006783|(-)cinchonidine|(-) cinchonidine|Cinchonidine,(S)|Prestwick_66|Cinchonidine, 96%|PubChem7953|Spectrum_001165|AC1L2RGN|Prestwick3_000606|Spectrum2_000719|Spectrum3_001745|Spectrum4_001173|Spectrum5_002073|AC1Q4XW3|BSPBio_000512|BSPBio_003450|KBioGR_001805|KBioSS_001645|MLS002153905|DivK1c_000501|SCHEMBL159532|SPECTRUM1500839|SPBio_000937|BPBio1_000564|CHEMBL533841|HMS501J03|KBio1_000501|KBio2_001645|KBio2_004213|KBio2_006781|KBio3_002670|KMPWYEUPVWOPIM-KODHJQJWSA-N|MolPort-003-665-608|NINDS_000501|HMS1921K14|HMS2092M14|HMS2096J14|HMS2235F22|Pharmakon1600-01500839|ZINC155697|HY-N0173|STR04708|ZX-AT015805|CCG-36455|CCG-37735|NSC757800|OR2776|(-)-Cinchonidine, analytical standard|AKOS016008633|API0002019|NSC-757800|SDCCGMLS-0066969.P001|IDI1_000501|NCGC00178057-01|NCGC00178057-02|SMR001233254|SBI-0051617.P002|AB0019836|Cinchonan-9-ol, (8-alpha,9R)- (9CI)|CS-0007887|ST24030253|V0360|AB00052182_03|SR-05000001575-1|SR-05000001575-6|SR-05000001575-7|SR-05000001575-8|BRD-K17661460-001-03-2|BRD-K17661460-001-04-0|BRD-K39079086-001-05-0|BRD-K39079086-001-07-6|Cinchonidine, purum, >=98.0% (dried material, NT)|(R)-4-quinolyl-(2S,4S,5R)-5-vinylquinuclidin-2-ylmethanol|(1R)-quinolin-4-yl((2S,4S,5R)-5-vinylquinuclidin-2-yl)methanol|(R)-quinolin-4-yl((2S,4S,5R)-5-vinylquinuclidin-2-yl)methanol|(2S,4S,8R,alphaR)-alpha-(4-Quinolyl)-8-vinyl-1-azabicyclo2.2.2octane-2-methanol|(R)-(2S,4S,5R)-5-ethenyl-1-azabicyclo2.2.2octan-2-yl(quinolin-4-yl)methanol|(R)-(2S,4S,5R)-5-ethenyl-1-azabicyclo2.2.2octan-2-yl-quinolin-4-ylmethanol|1195256-80-4|1236363-09-9|185122-81-0|1892629-78-5|402846-41-7|727732-19-6|834885-39-1|849150-57-8|887770-94-7|898814-12-5|900786-79-0|900786-82-5|911480-48-3|925701-86-6| |
| Tectoridin |
natural product |
Pueraria thunbergiana|Pueraria montana var. thomsonii|Amorphinopsis foetida|Codonopsis radix|Puerariae flos|Iridis tectori rhizoma|Belamcandae rhizome|Iris domestica|Iris tectorum|Psammosilene tunicoides|Pueraria montana var. lobata|Belamcanda chinensis|Polygonatum odoratum|Maackia amurensis|Iris dichotoma|Astragalus wiedemannianus|Cochlospermum tinctorium|Bertya dimerostigma|Delphinium barbeyi|Asterias rathbuni|Fomes fastuosus |
Gen=Others |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Gen=Others |
3D viewer |
Pubchem |
|
5281810 |
611-40-5 |
COC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O |
CNOURESJATUGPN-UDEBZQQRSA-N |
462.12000 |
C22H22O11 |
-3.8463 |
6 |
6 |
175.37 |
12.0 |
33 |
4 |
Inhibition by tectorigenin and tectoridin of prostaglandin E2 production and cyclooxygenase-2 induction in rat peritoneal macrophages.|Hepatoprotective effect of tectoridin and tectorigenin on tert-butyl hyperoxide-induced liver injury.|Tectorigenin inhibits IFN-gamma/LPS-induced inflammatory responses in murine macrophage RAW 264.7 cells.|Purification and structure determination of gelatinase and collagenase inhibitors from Viola patrinii fermentation extracts.|In vitro evaluation of tectoridin, tectorigenin and tectorigenin sodium sulfonate on antioxidant properties. |
Tectoridin|Shekanin|611-40-5|Tectoridin (7CI,8CI)|4',5-Dihydro-6-methoxy-7-(o-glucoside)isoflavone|UNII-968X515NZH|BRN 0068384|CHEBI:9428|968X515NZH|4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-|5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yloxychromen-4-one|5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yloxy-chromen-4-one|AC1NQZ4Q|4-18-00-03312 (Beilstein Handbook Reference)|SCHEMBL241734|CHEMBL520214|CTK8F0927|DTXSID70209982|CNOURESJATUGPN-UDEBZQQRSA-N|MolPort-020-005-736|ZINC4098747|AKOS015897164|AN-10371|LS-39677|SC-66279|FT-0688352|N1649|V1590|C10533|611T405|I07-0286|Q-100704|4H-1-Benzopyran-4-one,7-(b-D-glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-|5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranoside|4H-1-Benzopyran-4-one, 7-(.beta.-D-glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-| |
| Rocaglamide |
natural product |
Aglaia elliptifolia|Parmelia rigida|aglaia sp.|Aglaia odorata|Aglaia duperreana|Galium semiamictum|Cucumaria chronhjelmi|Penicillium nordicum|Alternaria japonica|Penicillium lapatayae|Bacillus circulans|Dioscorea dumetorum|Cotula coronopifolia|Epimedium davidi |
Nuclear factor NF-kappa-B p65 subunit - Homo sapiens | Alpha-synuclein - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Glycoprotein hormones alpha chain - Homo sapiens | TAR DNA-binding protein 43 - Homo sapiens | Geminin - Homo sapiens | Ataxin-2 - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Nuclear factor NF-kappa-B p105 subunit - Homo sapiens |Org= Magnaporthe grisea | Alternaria citri | Fusarium avenaceum |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|murine lymphoblastoid mice|Central Nervous System Cancers|Medulloblastoma|Cervical Cancer|Cervical Carcinoma Papilloma |Colorectal Cancer|ileocecal colorectal adenocarcinoma |Melanoma|malignant melanoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Org=Magnaporthe grisea | Alternaria citri | Fusarium avenaceum |
3D viewer |
Pubchem |
|
331783 |
84573-16-0 |
CN(C)C(=O)C1C(C2(C(C1O)(C3=C(C=C(C=C3O2)OC)OC)O)C4=CC=C(C=C4)OC)C5=CC=CC=C5 |
DAPAQENNNINUPW-IDAMAFBJSA-N |
505.21000 |
C29H31NO7 |
-2.5561 |
4 |
2 |
97.69 |
14.0 |
37 |
5 |
Rocaglamide derivatives are immunosuppressive phytochemicals that target NF-AT activity in T cells.|Microsphere-based protease assays and screening application for lethal factor and factor Xa.|Ponapensin, a cyclopenta[bc]benzopyran with potent NF-kappaB inhibitory activity from Aglaia ponapensis.|High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.|Rocaglamide breaks TRAIL resistance in HTLV-1-associated adult T-cell leukemia/lymphoma by translational suppression of c-FLIP expression.|Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
Rocaglamide|84573-16-0|MLS002701812|CHEMBL438139|CHEBI:66309|NSC326408|NSC 326408|(-)-(1alpha,2alpha,3beta,3abeta,8bbeta)-2,3,3a,8b-tetrahydro-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-1H-cyclopenta(b)benzofuran-2-carboxamide|(1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-2,3,3a,8b-tetrahydro-1H-benzobcyclopentadfuran-2-carboxamide|(1R,2R,3S,3aR,8bS)-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-1,8b-bis(oxidanyl)-3-phenyl-2,3-dihydro-1H-cyclopentab1benzofuran-2-carboxamide|1H-Cyclopenta(b)benzofuran-2-carboxamide, 2,3,3a,8b-tetrahydro-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-, (1R,2R,3S,3aR,8bS)-|Rocaglamide A|1H-Cyclopentabbenzofuran-2-carboxamide, 2,3,3a,8b-tetrahydro-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-, (1R,2R,3S,3aR,8bS)-|Roc-A|ROCAGLAMIDE (FR AGLAIA ELLIPTIFOLIA)|AC1L79SU|SCHEMBL752144|CTK3E9560|KS-00001DEB|MolPort-006-822-596|ZINC5664046|BDBM50196926|AKOS016009203|API0010351|CS-5246|NSC-326408|AJ-54524|HY-19356|NCI60_002832|SMR001565405|AX8228152|ST24049124|W1065|B603847K064|BRD-K97248244-001-01-8|BRD-K97248244-001-02-6|(1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-2,3-dihydro-1H-cyclopentab1benzofuran-2-carboxamide|(1R,2R,3S,3aR,8bS)-2,3,3a,8b-Tetrahydro-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-1H-cyclopentabbenzofuran-2-carboxamide|1H-Cyclopentabbenzofuran-2-carboxamide,3,3a,8b-tetrahydro-1,8b-dihydroxy-6,8-dimethoxy- 3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-, 1R-(1.alpha.,2.alpha.,3.beta.,3a.beta.,8b.beta.)-|1H-Cyclopentabbenzofuran-2-carboxamide,3,3a,8b-tetrahydro-1,8b-dihydroxy-6,8-dimethoxy- 3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-,(1R,2R,3S,3aR,8bS)-|RCG| |
| n.a. |
natural product |
Sophora flavescens|Sophora alopecuroides|Corydalis bungeana|Sophora tonkinensis|Herba sophorae alopecuroidis |
Path=EIF4E pathway|N/A|MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|CASP3 pathway|FAS pathway|FASLG pathway|Gen=Opioid Receptor|Org=Hepatitis B virus|Histone acetyltransferase GCN5 - Homo sapiens |Org= Plasmodium falciparum |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioma|Chronic Myelogenous Leukemia|Esophageal and Esophagogastric Junction Cancers|Esophageal squamous cell carcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Gen=Neuronal Signaling |
3D viewer |
Pubchem |
|
285698 |
83148-91-8 |
C1CC2C3CCCN4C3C(CCC4)CN2C(=O)C1 |
ZSBXGIUJOOQZMP-UHFFFAOYSA-N |
248.19000 |
C15H24N2O |
-1.9058 |
3 |
0 |
23.55 |
0.0 |
18 |
4 |
Microsphere-based protease assays and screening application for lethal factor and factor Xa.|High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.|Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.|Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.|High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.|Benchmarking ligand-based virtual High-Throughput Screening with the PubChem database. |
.alpha.-Matrine|83148-91-8|Matrene, (+)-|Dodecahydro-3a,7a-diaza-benzodeanthracen-8-one|Q-100583|1H,5H,10H-dipyrido2,1-f:3',2',1'-ij1,6naphthyridin-10-one, dodecahydro-|regid845916|NEW BASE STRUCTURE|AC1L63MI|6.beta.,7.beta.-Matrine|Oprea1_680866|Oprea1_860679|MLS000029265|SCHEMBL8260145|CHEMBL1733145|MolPort-001-985-870|ZSBXGIUJOOQZMP-UHFFFAOYSA-N|HMS1611N16|HMS2269A14|ALBB-020900|ZX-AN036540|NSC143088|NSC318810|AKOS000591194|AKOS017259293|MCULE-1489142812|NSC-143088|NSC-318810|4CN-1610|BAS 02913238|SC-25809|SMR000011610|FT-0603438|FT-0628171|FT-0696735|W-3063|AB00397099-11|SR-01000601144|SR-01000601144-3|dodecahydro-1H,5H,10H-dipyrido2,1-f:3',2',1'-ij1,6naphthyridin-10-one|2,3,5,6,6a,10,11,11a,11b,11c-Decahydro-4H,7H-3a,7a-diaza-1H-benzodeanthracene-8(9H)-one| |
| Tagitinin A |
natural product |
Tithonia diversifolia|Astragalus falcatus|Barleria prionitis|Crypteronia paniculata|Trichocline caulescens|Penicillium spiculisporum|Nidula niveotomentosa|Picramnia hirsuta|Premna oligotricha|Iris halophila|Ulva rigida|Lycopodium fastigiatum|Laurencia scoparia|Alpinia javanica|Mycale izuensis |
LXR-alpha - Homo sapiens | Bile acid receptor FXR - Homo sapiens | Peroxisome proliferator-activated receptor gamma - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia |
3D viewer |
Pubchem |
|
181254 |
59979-61-2 |
CC1CC2C(C(CC3(C(CC1(O3)O)O)C)OC(=O)C(C)C)C(=C)C(=O)O2 |
HREHFPZHVCNOMQ-XNNFIIJVSA-N |
368.18000 |
C19H28O7 |
0.0632 |
7 |
2 |
102.29 |
9.0 |
26 |
3 |
Phytotoxins from Tithonia diversifolia.|Identification of tagitinin C from Tithonia diversifolia as antitrypanosomal compound using bioactivity-guided fractionation. |
tagitinin A|59979-61-2|AC1L48P2|CHEMBL518700|GTPL8701|MEGxp0_000075|ACon0_000437|ACon1_000272|BDBM50394802|NCGC00180721-01|BRD-K83245091-001-01-4| |
| Mycalamide A |
natural product |
Mycale spp|Theonella sp|Mycale hentscheli|stylinos n. species|mycale sp. |
Path=CASP8 pathway |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
10345974 |
7-epi-Mycalamide A |
CC1C(OC(CC1=C)(C(C(=O)NC2C3C(C(C(C(O3)CC(CO)O)(C)C)OC)OCO2)O)OC)C |
IJASURGZDJYQGF-GBNRTHSESA-N |
503.27000 |
C24H41NO10 |
-1.6426 |
11 |
4 |
148.66 |
18.0 |
35 |
3 |
Change of ras-transformed NRK-cells back to normal morphology by mycalamides A and B, antitumor agents from a marine sponge.|Antitumor activity and mechanism of action of the novel marine natural products mycalamide-A and -B and onnamide.|Effects of cyclosporin A, FK 506, and mycalamide A on the activation of murine CD4+ T cells by the murine B7 antigen.|Induction of apoptosis by the marine sponge (Mycale) metabolites, mycalamide A and pateamine.|Structures of triacetyloleandomycin and mycalamide A bind to the large ribosomal subunit of Haloarcula marismortui.|Discovery of novel antiviral agents directed against the influenza A virus nucleoprotein using photo-cross-linked chemical arrays. |
|
| Bastadin 13 |
natural product |
Dendrilla cactos|Schefflera heptaphylla|Tribulus terrestris|Setosphaeria rostrata|Lobelia hassleri|Chromolaena collina|Zanthoxylum brachyacanthum|Ormosia macrocalyx|ianthella cf. reticulata|Melicope subunifoliolata |
Endothelin receptor ET-B - Rattus norvegicus | Endothelin receptor ET-A - Sus scrofa |Org= Trypanosoma brucei brucei | Bacillus subtilis |
Dis=Non-Hodgkin's Lymphomas|Adult T-cell leukemia/lymphoma|Org=Trypanosoma brucei brucei | Bacillus subtilis |
3D viewer |
Pubchem |
|
23426999 |
No Cas |
C1CNC(=O)C(=NO)CC2=CC(=C(C(=C2)Br)O)OC3=C(C=C(CC(=NO)C(=O)NCCC4=CC(=C(C=C4)OC5=C(C=CC1=C5)O)Br)C=C3Br)Br |
XNGIESBQQZJDTL-RIVOPQIESA-N |
935.86000 |
C34H28Br4N4O8 |
1.875 |
4 |
6 |
189.28 |
10.0 |
50 |
4 |
Antineoplastic agents, 326. The stereochemistry of bastadins 8, 10, and 12 from the Bismarck archipelago marine sponge Ianthella basta. |
|
| (1R,2R,4As,6Ar,6As,6Br,8Ar,10R,11S,12Ar,14Bs)-1,10,11-Trihydroxy-1,2,6A,6B,9,9,12A-Heptamethyl-2,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid |
natural product |
Perilla frutescens|Rubus sieboldii|Euscaphis japonica|N/A| |
Path=PAPOLA pathway|N/A| |
Dis=mouse tumor model|DMBA/TPA induced skin carcinoma|Acute Lymphoblastic Leukemia|peripheral blood cancer|Gastrointestinal Cancer|Gastric carcinoma |
3D viewer |
Pubchem |
|
490364 |
2-epi-Tormentic acid |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1(C)O)C)C(=O)O |
OXVUXGFZHDKYLS-VCFAZYFWSA-N |
488.35000 |
C30H48O5 |
0.822 |
5 |
4 |
97.99 |
12.0 |
35 |
5 |
Antimycobacterial plant terpenoids. |
2-Epitormentic acid|119725-19-8|CHEBI:70681|(1R,2R,4aS,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid|2-epi-Tormentic acid|AC1LAKWF|2beta-hydroxypomolic acid|CHEMBL1270647|MolPort-035-706-464|ZINC64513896|AKOS032961717|W2624|(2b,3b)-2,3,19-Trihydroxyurs-12-en-28-oic acid| |
| n.a. |
natural product |
Sansevieria ehrenbergii |
Org=Filobasidiella neoformans | Candida albicans |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|large cell carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|prostate Carcinoma|Org=Filobasidiella neoformans | Candida albicans |
3D viewer |
Pubchem |
|
44583957 |
88861-91-0 |
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(CO8)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1 |
HSOMTBUZSIVDQK-QYOOOATOSA-N |
854.47000 |
C44H70O16 |
-3.9529 |
16 |
8 |
235.68 |
20.0 |
60 |
9 |
Sprengerinin C exerts anti-tumorigenic effects in hepatocellular carcinoma via inhibition of proliferation and angiogenesis and induction of apoptosis. |
|
| Paclitaxel |
natural product |
Phyllosticta tabernaemontanae|japanese yew|Taxus wallichiana|Taxus brevifolia|Taxus cuspidata|Taxus mairei|Homo sapiens|Paraconiothyrium|Taxomyces andreanae|Punica granatum|Torreya grandis|Torreya nuncifera |
Gen=Autophagy,Microtubule Associated|anticancer||Cholinesterase - Equus caballus | Tubulin alpha chain - Sus scrofa | Receptor protein-tyrosine kinase erbB-2 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | Nonstructural protein 1 - Influenza A virus | Cholecystokinin A receptor - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Cytochrome P450 3A4 - Homo sapiens | Cruzipain - Trypanosoma cruzi | Serine/threonine-protein kinase mTOR - Homo sapiens | Glucocorticoid receptor - Homo sapiens | Delta opioid receptor - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Androgen Receptor - Homo sapiens | Melanocortin receptor 5 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Geminin - Homo sapiens | Vitamin D receptor - Homo sapiens | Bloom syndrome protein - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Neurokinin 2 receptor - Homo sapiens | Multidrug resistance-associated protein 7 - Homo sapiens | Prelamin-A/C - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Tyrosine-protein kinase FYN - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | P-glycoprotein 1 - Homo sapiens | Bile salt export pump - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Ataxin-2 - Homo sapiens | Cytochrome P450 1A2 - Homo sapiens | Niemann-Pick C1 protein - Homo sapiens | Regulator of G-protein signaling 4 - Homo sapiens | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 2 - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Peripheral myelin protein 22 - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Botulinum neurotoxin type A - Clostridium botulinum | Alpha-synuclein - Homo sapiens | Solute carrier family 22 member 1 - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Ras-related protein Rab-9A - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens |Org= Oryctolagus cuniculus | Plasmodium falciparum | Artemia | Sus scrofa |
Dis=acute myeloid leukemia|human leukemia|Breast Cancer|Breast Carcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Gen=Cytoskeletal Signaling |
3D viewer |
Pubchem |
5HNW 5HNX 5HNZ 6B0C |
36314 |
33069-62-4 |
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C |
RCINICONZNJXQF-MZXODVADSA-N |
853.33000 |
C47H51NO14 |
-1.6232 |
15 |
4 |
224.78 |
24.0 |
62 |
7 |
Microtubule-associated protein autophosphorylation alters in vitro microtubule dynamic instability.|Yeast proteins associated with microtubules in vitro and in vivo.|A novel microtubule-binding motif identified in a high molecular weight microtubule-associated protein from Trypanosoma brucei.|Direct photoaffinity labeling of tubulin with taxol.|A novel 24-kDa microtubule-associated protein purified from sea urchin eggs.|Ethacrynic acid inhibition of microtubule assembly in vitro. |
paclitaxel|TAXOL|33069-62-4|Taxol A|Abraxane|Paxene|Paxceed|Plaxicel|Yewtaxan|Onxol|Ebetaxel|Capxol|Genaxol|LipoPac|ABI-007|Paclitaxel (Taxol)|Genetaxyl|Genexol|Intaxel|TaxAlbin|Zisu|OncoGel|EmPAC|Xorane|NSC-125973|ABI 007|UNII-P88XT4IS4D|NSC125973|Mitotax|HSDB 6839|DRG-0190|MBT 0206|QW 8184|P88XT4IS4D|BMS-181339-01|CHEMBL428647|CHEBI:45863|nab-paclitaxel|7-epi-Paclitaxel|NSC 125973|5beta,20-Epoxy-1,2-alpha,4,7beta,10beta,13alpha-hexahydroxytax-11-en-9-one 4,10-diacetate 2-benzoate 13-ester with (2R,3S)-N-benzoyl-3-phenylisoserine|BMS 181339-01|NCGC00164367-01|AK108391|Cyclopax|Padexol|(2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alpha R*,betaS*),11alpha,12alpha,12balpha))-beta-(Benzoylamino)-alpha-hydroxybenzenepropanoic acid 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester|Anzatax|Cynviloq|Nanoxel|Pacliex|Sindaxel|Cypher select|Coroflex Please|Taxus stent|Taxus Express|Taxus Liberte|(NAB)-Paclitaxel|SMR000857385|EndoTAG 1|EndoTAG-1|LEP-ETU|SR-01000075350|Abraxane I.V. Suspension|Infinnium|Nanotaxel|Paclical|Pacligel|Paxoral|Onxal|Paclitaxel/|CCRIS 8143|Vascular Wrap|Genexol-PM|DHP 107|Paclitaxel,(S)|Paclitaxel USAN:USP:INN:BAN|Abraxane (TN)|(2alpha,5beta,7beta,10beta,13alpha)-4,10-bis(acetyloxy)-1,7-dihydroxy-13-({(2R,3S)-2-hydroxy-3-phenyl-3-(phenylcarbonyl)aminopropanoyl}oxy)-9-oxo-5,20-epoxytax-11-en-2-yl benzoate|(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-Dodecahydro-4,6,9,11,12,12b-hexahydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca(3,4)benz(1,2-b)oxet-5-one 6,12b-diacetate, 12-benzoate, 9-ester with (2R,3S)-N-benzoyl-3-phenylisoserine|diacetoxy-(2R,3S)-3-benzamido-2-hydroxy-3-phenyl-propanoyloxy-dihydroxy-tetramethyl-oxo-?yl benzoate|Nanoparticle albumin bound paclitaxel|CAS-33069-62-4|IG 001|NK 105|BMS-181339|Paclitaxel-SSMM-VIP|Liposome-entrapped paclitaxel easy-to-use|P-SSMM-VIP|AC1L1VJI|Prestwick3_000155|DSSTox_CID_3413|TAXOL (TN)|SCHEMBL3976|DSSTox_RID_77016|Nova-12005|Paclitaxel, Taxus brevifolia|BIDD:PXR0046|DSSTox_GSID_23413|BSPBio_000290|KBioGR_002509|KBioSS_002517|Paclitaxel (JAN/USP/INN)|MLS002154218|MLS002695976|OAS-PAC-100|BPBio1_000320|GTPL2770|MEGxp0_001940|Taxol (TN) (Bristol Meyers)|DTXSID9023413|ACon1_002231|KBio2_002509|KBio2_005077|KBio2_007645|KBio3_002987|ANX-513|DHP-107|DHP-208|DTS-301|SDP-013|7,11-Methano-1H-cyclodeca3,4benz1,2-boxete, benzenepropanoic acid deriv.|cMAP_000068|MolPort-001-742-627|RCINICONZNJXQF-MZXODVADSA-N|ZX-AFC000078|HMS2090D07|HMS2095O12|HMS2231A16|HMS3712O12|Abraxane (albumin-bound suspension)|ACT02709|Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (2aR-(2a-alpha,4-beta,4a-beta,6-beta,9-alpha(alpha-R*,beta-S*),11-alpha,12-alpha,12a-alpha, 12b-alpha))-|Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alphaR*,betaS*),11alpha,12alpha,12aalpha,12balpha))-|HY-B0015|MPI-5018|Tox21_112107|ABP000252|BDBM50001839|MFCD00869953|NSC745099|ZINC96006020|AKOS007930675|AKOS015969673|AKOS025312303|ACN-032459|CCG-220155|CS-1145|DB01229|GS-6554|NSC-745099|RL03195|NCGC00164367-02|NCGC00164367-03|NCGC00164367-04|NCGC00164367-05|NCGC00164367-10|Paclitaxel, From Taxus brevifolia, 95%|NA090030|NCI60_000601|Paclitaxel, from Taxus yannanensis, powder|AB0069184|ST2419771|AB00513812|N1361|D00491|M-8858|M02242|N88686|10337-EP2269989A1|10337-EP2270018A1|10337-EP2272827A1|10337-EP2272832A1|10337-EP2277507A1|10337-EP2277865A1|10337-EP2277876A1|10337-EP2280012A2|10337-EP2280014A2|10337-EP2281815A1|10337-EP2281820A2|10337-EP2286795A1|10337-EP2287168A2|10337-EP2289876A1|10337-EP2289892A1|10337-EP2292233A2|10337-EP2292234A1|10337-EP2292614A1|10337-EP2292615A1|10337-EP2295412A1|10337-EP2295413A1|10337-EP2295416A2|10337-EP2298748A2|10337-EP2298754A1|10337-EP2298772A1|10337-EP2298780A1|10337-EP2301533A1|10337-EP2301536A1|10337-EP2301538A1|10337-EP2301928A1|10337-EP2301933A1|10337-EP2301940A1|10337-EP2302382A2|10337-EP2302383A2|10337-EP2305243A1|10337-EP2305250A1|10337-EP2305640A2|10337-EP2305642A2|10337-EP2305671A1|10337-EP2305679A1|10337-EP2305689A1|10337-EP2305808A1|10337-EP2308833A2|10337-EP2308839A1|10337-EP2308861A1|10337-EP2311455A1|10337-EP2311808A1|10337-EP2311827A1|10337-EP2311829A1|10337-EP2314295A1|10337-EP2314574A1|10337-EP2316452A1|10337-EP2316832A1|10337-EP2316833A1|AB00513812-02|AB00513812-03|069P624|Paclitaxel, Antibiotic for Culture Media Use Only|7,4benz1,2-boxete,benzenepropanoic acid deriv.|Q-201533|SR-01000075350-1|SR-01000075350-3|SR-01000075350-6|SR-01000075350-7|SR-01000075350-9|BRD-K62008436-001-03-1|BRD-K62008436-001-05-6|BRD-K62008436-001-22-1|Paclitaxel, from semisynthetic (from Taxus sp.), >=97%|Paclitaxel, European Pharmacopoeia (EP) Reference Standard|Paclitaxel, from Taxus brevifolia, >=95% (HPLC), powder|Paclitaxel, United States Pharmacopeia (USP) Reference Standard|12-benzoate, 9-ester with (2R,3S)-N-benzoyl-3-phenylisoserine|Paclitaxel, Pharmaceutical Secondary Standard; Certified Reference Material|7,11-METHANO-5H-CYCLODECA3,4BENZ1,2-BOXETE BENZENEPROPANOIC ACID DERIV.|Paclitaxel natural for peak identification, European Pharmacopoeia (EP) Reference Standard|(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-{(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyloxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo11.3.1.0;{3,10}.0;{4,7}heptadec-13-en-2-yl benzoate|(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-{(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyloxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo11.3.1.0^{3,10}.0^{4,7}heptadec-13-en-2-yl benzoate|(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-Dodecahydro 4,6,9,11,12,12b-hexahydroxy-4a,8,13,13-tetramethyl-7,11-methano 5Hcyclodeca(3,4)benz(1,2-b)oxet-5-one 6,12b-diacetate,|(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca3,4benz1,2-boxet-9-yl (aR,bS)-b-(benzoylamino)-a-hydroxybenzenepropanoate|(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl)oxy)-12-(benzoyloxy)-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca3,4benzo1,2-boxete-6,12b-diyl diacetate|(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl)oxy)-12-(benzoyloxy)-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-3,4,4a,5,6,9,10,11,12,12a-decahydro-1H-7,11-methanocyclodeca3,4benzo1,2-boxete-6,12b(2aH)-diyl diacetate|(2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alpha R*,betaS*),11alpha,12alpha,12balpha))-beta-(Benzoylamino)-alpha-hydroxybenzenepropanoic acid 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12|(2beta,5beta,7alpha,8alpha,10alpha,13alpha)-4,10-bis(acetyloxy)-1,7-dihydroxy-13-({(2R,3S)-2-hydroxy-3-phenyl-3-(phenylcarbonyl)aminopropanoyl}oxy)-9-oxo-5,20-epoxytax-11-en-2-yl benzoate|1203669-79-7|157069-30-2|4alpha,10beta-bis(acetyloxy)-13alpha-(2S,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyloxy-1,7beta-dihydroxy-9-oxo-5beta,20-epoxytax-11-en-2alpha-yl benzoate|5?,20-Epoxy-1,7?-dihydroxy-9-oxotax-11-ene-2?,4,10?,13?-tetrayl 4,10-diacetate 2-benzoate 13-(2R,3S)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoate|Benzenepropanoic acid, 6,12b-bis(acetyl oxy)-12-(benzoyloxy)- 2a,3,4,4a,5,6,9,10,11,12,12a,12b,- dodecahydro-4,11- dihydroxy-4a,8,13,13-tetramethyl-5-oxo- 7,11-methano- 1H-cyclodeca3,4benz1,2-boxet-9-yl ester, 2aR- 2a.alpha.,4.beta.,4a.beta.,6.beta.,9.alpha.(alpha. R*,.beta.S*),11.alpha.,12.alpha.,12a.alpha.,12b.alpha.-|Benzenepropanoic acid, b-(benzoylamino)-.alpha.-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca3,4benz1,2-boxet-9-yl ester, (aR,bS)-|Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13|Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (alphaR,betaS)-|Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H|Paclitaxel semi-synthetic for peak identification, European Pharmacopoeia (EP) Reference Standard|Paclitaxel semi-synthetic for system suitability, European Pharmacopoeia (EP) Reference Standard|Tax-11-en-9-one, 5beta,20-epoxy-1,2alpha,4,7beta,10beta,13alpha- hexahydroxy-, 4,10-diacetate 2-benzoate, 13-ester with (2R,3S)-N-benzoyl-3-phenylisoserine (8CI)|Tax-11-en-9-one, 5beta,20-epoxy-1,2alpha,4,7beta,10beta,13alpha-hexahydroxy-, 4,10-diacetate 2-benzoate 13-ester with (2R,3S)-N-benzoyl-3-phenylisoserine (8CI)|Tax-11-en-9-one,20-epoxy-1,2.alpha.,4,7.beta., 10.beta.,13.alpha.- hexahydroxy-, 4,10-diacetate 2- benzoate,13-ester with (2R,3S)-N-benzoyl-3-phenylisoserine| |
| (+)-(Z)-Nerolidol |
natural product |
Satureja montana|Comptonia peregrina|Chrysanthemum zawadskii|Vitex negundo|Actaea dahurica|Zingiber officinale|Actaea cimicifuga|Actaea heracleifolia|Actaea simplex|Cinamomum cassia|Cinnamomum aromaticum|Citrus aurantium|Curcuma kwangsiensis|Curcuma longa|Curcuma phaeocaulis|Curcuma wenyujin|Dalbergia odorifera|Elettaria cardamomum|Elsholtzia ciliata|Foeniculum vulgare|Ginkgo biloba|Hypericum perforatum|Lindera benzoin|Illicium verum|Zanthoxyli pericarpium|Laggera pterodonta|Eriobotryae folium|Lindera aggregata|Acorus calamus|Lindera strichnifolia|Artemisia argyi|Lobelia chinensis|Artemisia capillaris|Lonicera japonica|Artemisia montana|Mosla chinensis|Artemisia princeps|Panax ginseng|Panax notoginseng|Saussurea costus|Panax quinquefolius|Bupleurum chinense|Perilla frutescens|Bupleurum falcatum|Piper nigrum|Bupleurum scorzonerifolium|Prunella vulgaris|Capsicum annuum|Schisandra chinensis|Senna alexandrina |
Org=Artemia salina |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Org=Artemia salina |
3D viewer |
Pubchem |
4MC3 |
12227246 |
No Cas |
CC(=CCCC(=CCCC(C)(C=C)O)C)C |
FQTLCLSUCSAZDY-SZGZABIGSA-N |
222.20000 |
C15H26O |
3.7014 |
1 |
1 |
20.23 |
12.0 |
16 |
0 |
|
UNII-08A71M71CW|08A71M71CW|Nerolidol, (6Z)-(-)-|FEMA No. 2772, Z-(-)-|(+)-(Z)-Nerolidol|CHEMBL508801|1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3R,6Z)-|ZINC13319967|132958-73-7|CJ-14348|UNII-81K23DEF7B component FQTLCLSUCSAZDY-SZGZABIGSA-N|UNII-9A7Y7619GR component FQTLCLSUCSAZDY-SZGZABIGSA-N|UNII-QR6IP857S6 component FQTLCLSUCSAZDY-SZGZABIGSA-N| |
| n.a. |
natural product |
Artemisia annua|Artemisia apiacea |
Path=MAPK14 pathway|CASP3 pathway|P-glycoprotein 1 - Homo sapiens |Org= Plasmodium falciparum 3D7 | Plasmodium falciparum|Peripheral myelin protein 22 - Rattus norvegicus | Cytochrome P450 3A4 - Homo sapiens | Huntingtin - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Geminin - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | 78 kDa glucose-regulated protein - Homo sapiens | Survival motor neuron protein - Homo sapiens |Org= Plasmodium falciparum |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Non-small Cell Lung Cancer|Gen=Others |
3D viewer |
Pubchem |
|
540327 |
GNF-Pf-5580 |
CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)O)C |
BJDCWCLMFKKGEE-UHFFFAOYSA-N |
284.16000 |
C15H24O5 |
0.2487 |
5 |
1 |
57.15 |
4.0 |
20 |
3 |
Rapid action of Qinghaosu and related drugs on incorporation of [3H]isoleucine by Plasmodium falciparum in vitro.|Antimalarial activity of new dihydroartemisinin derivatives. 6. alpha-Alkylbenzylic ethers.|Reaction of antimalarial endoperoxides with specific parasite proteins.|The interaction of artemisinin with red cell membranes.|Treatment of acute, uncomplicated, falciparum malaria with oral dihydroartemisinin.|In vitro stage-specific sensitivity of Plasmodium falciparum to quinine and artemisinin drugs. |
Dihydroqinghaosu|GNF-Pf-5580|Dihydroartemisinin|3,6,9-trimethyldecahydro-3,12-epoxy1,2dioxepino4,3-iisochromen-10-ol|AC1LBQ8S|CHEMBL600715|SCHEMBL14552892|BJDCWCLMFKKGEE-UHFFFAOYSA-N|MolPort-019-940-201|81496-82-4|BBL033188|STL146329|AKOS005720934|API0002362|MCULE-8040777258|4CN-1105| |
| Tylophorinidine |
natural product |
Pergularia pallida |
Proto-oncogene c-JUN - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Chronic Myelogenous Leukemia |
3D viewer |
Pubchem |
|
161749 |
32523-69-6 |
COC1=CC2=C(C=C1)C3=C(CN4CCCC4C3O)C5=CC(=C(C=C52)O)OC |
CMFIDYCYVJWPPL-PGRDOPGGSA-N |
365.16000 |
C22H23NO4 |
-1.6646 |
2 |
2 |
62.16 |
6.0 |
27 |
5 |
Inhibition of thymidylate synthase and cell growth by the phenanthroindolizidine alkaloids pergularinine and tylophorinidine.|Thymidylate synthase activity in leukocytes from patients with chronic myelocytic leukemia and acute lymphocytic leukemia and its inhibition by phenanthroindolizidine alkaloids pergularinine and tylophorinidine.|Inhibition of dihydrofolate reductase and cell growth activity by the phenanthroindolizidine alkaloids pergularinine and tylophorinidine: the in vitro cytotoxicity of these plant alkaloids and their potential as antimicrobial and anticancer agents.|Antifungal activity of hydrochloride salts of tylophorinidine and tylophorinine. |
Tylophorinidine|CHEMBL250854|(13as,14s)-3,7-dimethoxy-9,11,12,13,13a,14-hexahydrodibenzof,hpyrrolo1,2-bisoquinoline-6,14-diol|32523-69-6|AC1L4Q0E|AC1Q57YY|SCHEMBL19534276|CTK4H6899|DTXSID20186239|Dibenzo(f,h)pyrrolo(1,2-b)isoquinoline-6,14-diol, 9,11,12,13,13a,14-hexahydro-3,7-dimethoxy-, (13aS-trans)-|BDBM50213931|(13aS,14S)-3,7-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro10,9-findolizine-6,14-diol|36614-30-9| |
| Methyl (1S,4As,5As,6S,10As)-1-Methyl-2'-Oxospiro[1,4A,5,5A,7,8,10,10A-Octahydropyrano[3,4-F]Indolizine-6,3'-1H-Indole]-4-Carboxylate |
natural product |
Uncaria tomentosa|Uncaria sinensis|Corchorus capsularis|Uncaria homomalla|Agaricus arvensis|Fusarium caucasicum|Uncaria orientalis|Swietenia macrophylla|Nostoc linckia|Uncaria veluntina|Anthyllis onobrychoides|Penstemon gentianoides|Uncaria sterrophylla|Mentzelia albescens|Mitragyna speciosa|Uncaria rhynchophylla|Uncaria gambir|Knautia montana|Uncaria laevigata|Euphorbia pannonica|Lagerstroemia speciosa|Corticium simplex|Spongia irregularis|Uncaria bernaysii|Andropogon polyneuros|Archangium disciforme|Colubrina faralaotra|Anredera diffusa|Rumex chalepensis|Uncaria roxburghiana|Chaetomium chiversii|Uncaria longiflora|Picris conyzoides|Uncariae ramulus cumuncis|Helichrysum cooperi|Ixeris chinensis|Uncaria guianensis|Uncaria macrophylla|Uncaria scandens|Uncaria lanosa|Uncaria donisii|Paralemnalia clavata|Mentha lavandulacea|Capsicum annuum|Origanum majorana|Ruta corsica|Polymastia tenax|Cryptocarya lividula |
Path=BCL2 pathway|Chromobox protein homolog 1 - Homo sapiens | Geminin - Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia |
3D viewer |
Pubchem |
|
9885603 |
5171-37-9 |
CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O |
JMIAZDVHNCCPDM-PFDNRQJHSA-N |
368.17000 |
C21H24N2O4 |
-0.6854 |
6 |
1 |
71.36 |
5.0 |
27 |
5 |
Pteropodine and isopteropodine positively modulate the function of rat muscarinic M(1) and 5-HT(2) receptors expressed in Xenopus oocyte.|Microsphere-based protease assays and screening application for lethal factor and factor Xa.|High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.|Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
Isopteropodine|5171-37-9|UNII-J9IZ1U593L|Isopteropodin|J9IZ1U593L|CHEBI:81205|uncarine E|SMR000232333|NSC 601678|UNCARINE E(P)|MLS000563440|MLS000728615|CHEMBL562222|HMS2226O10|ZINC4995167|Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (7alpha,19alpha,20alpha)-|C17597|Isopteropodine, United States Pharmacopeia (USP) Reference Standard|(1'S,3S,4a'S,5a'S,10a'S)-methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiroindoline-3,6'-pyrano3,4-findolizine-4'-carboxylate| |
| Genistein |
bioactive compound |
Pueraria thunbergiana|Pueraria radix|Pueraria mirifica|Dalbergia parviflora|Pueraria thomsonii|Cudrania tricuspidata|Pauridiantha callicarpoides|Coniochaeta saccardoi|Atroxima liberica|Lespedeza floribunda|Glycine max|Arum maximum|Streptomyces griseochromogenes|Tolypocladium album|Trogoderma granarium|aged korean fermented soybean paste|Glycyrrhiza glabra|Bergenia crassifolia|Euphrasia stricta|Astragalus spinosus|Streptomyces mirabilis|Glycyrrhiza inflata|Dalbergia obtusa|Rheum qinlingense|Palafoxia texana|Glycyrrhiza uralensis|Delphinium barbeyi|Papaver tatricum|Amaranthus spinosus|Dunalia solanacea|Lawsonia inermis|Dalbergia sissoo|Murraya exotica|Ips cembrae|Lippia integrifolia|Abies amabilis|Scolopia chinensis|Derris scandens|Murraya paniculata|Chelonaplysilla violacea|Piper dilatatum|Crotalaria orixensis|Heliotropium hirsutissimum|Calicotome villosa|Macadamia ternifolia|Peltogyne pubescens|Christisonia bicolor|[clostridium] cellulolyticum|Pueraria lobata|Prunus serrulata var. spontanea|Cullen corylifolium|Erysimum siliculosum|Pseudoceratina arabica|Citrus rugulosa|Albizia subdimidiata|Hyoscyamus pusillus|Andira inermis|Pueraria montana var. lobata|Astragalus bicuspis|Pterocarpus indicus|Allagopappus viscosissimus|Cistanche salsa|Nicotiana raimondii|Sanguisorba officinalis|Pueraria montana var. thomsonii|Zanthoxylum decaryi|Pleurotus japonicus|Lunularia cruciata|Flemingia macrophylla|Candida albicans|Teucrium betonicum|Sophora flavescens|Ranunculus peltatus|Justicia adhatoda|Homo sapiens|Setosphaeria holmii|Spatholobus suberectus|Desmodium styracifolium|Sophora japonica|Neomeris annulata|Conyza japonica|Coniophora puteana|Cistanches herba|Sisymbrium officinale|Sophora tonkinensis|Trollius europaeus|Lepidosperma ustulatum|Fomes fastuosus|Sojae semen praeparatum|Puerariae flos|Jamesoniella colorata|Streptomyces filamentosus|Trifolium pratense|Lecanora kukunorensis|Semiaquilegiae radix|Tenebrio obscurus|Vitex negundo|Cymodocea nodosa|Lupinus luteus|Aglaia australiensis|Hibiscus schizopetalus|Fructussophorae|Octopus vulgaris|Fumaria micrantha|Teucrium marum|Jacmaia incana|Piptanthus nepalensis|Davidsoniella virescens|Iridis tectori rhizoma|Pachychalina alcaloidifera|Dinophysis fortii|Stachys chrysantha|Atuna racemosa|Cordyceps sinensis|Maximowiczia sonorae|Radix puerariae|Camchaya loloana|Diplacus longiflorus|Styrax agrestis|Platytaenia lasiocarpa|Vepris nobilis|Belamcandae rhizome|Smilax bracteata|Chrysanthemum uliginosum|Eriocephalus punctulatus|Astragalus pycnanthus|Aspergillus albus|Kaempferia rotunda|Sojae semen nigrum|Chionodoxa gigantea|Pulsatilla campanella|Hydrangea serrata|Chamomilla recutita|Dendrobium candidum|Bonamia spectabilis|Sophorae tonkinensis radix et rhizome|Berlinia tomentosa|Garcinia oblongifolia|Amietophrynus regularis|Ophiopogon planiscapus|Eucommiae cortex|Tynanthus panurensis|Amorphinopsis foetida|Linum crispum|Melaleuca viminea|Pterodon emarginatus|Flos genkwa|Syzygium nervosum|Macrocentrus cingulum|Penstemon teucrioides|Xenia blumi|Ipomoea muricata|Streptomyces|Swertia decussata|Berberis floribunda|Rabdosia angustifolia|Tabebuia chrysantha|Trifolium resupinatum|Streptomyces roseolus nrrl b-5424|Inulanthera calva|Usnea canariensis|Panzeria canescens|Iyengaria stellata|Hapalosiphon delicatulus|Crassostrea virginica|Streptomyces globisporus 1912|Convallaria majalis|Crotalus atrox|Bertya dimerostigma|Pseudocinchona pachyceras|Streptomyces ans-127|Scutellaria sieberi|Munchausia speciosa|Rosulabryum capillare|Erycibe expansa|Petroselinum crispum|Piper wightii|Astragalus wiedemannianus|Tephrosia watsoniana|Ophiorrhiza kunstleri|phoma glomerata|Dalbergia odorifera|Licaria brasiliensis|Strongylodesma algoaensis|Salvia miltiorrhiza|Parameria laevigata|Pisolithus tinctorius|soybeans|Achillea pseudopectinata|Asterias rathbuni|Baccharoides anthelmintica|Pinus koraiensis|Dalbergia frutescens|Ginkgo biloba|Ascochyta viciae |
Path=BCL2 pathway|CASP3 pathway|ER alpha pathway|PPARA pathway|PTK activity|Gen=EGFR,Topoisomerase|Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Epidermal growth factor receptor erbB1 - Homo sapiens | UDP-glucuronosyltransferase 1-9 - Homo sapiens | Estrogen receptor beta - Homo sapiens | Cholinesterase - Equus caballus | Protein kinase C alpha - Homo sapiens | Xanthine dehydrogenase - Homo sapiens | Canalicular multispecific organic anion transporter 1 - Homo sapiens | Maltase-glucoamylase - Homo sapiens | Serotonin 2a (5-HT2a) receptor - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Human immunodeficiency virus type 1 integrase - Human immunodeficiency virus 1 | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Microtubule-associated protein tau - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Adenosine A1 receptor - Homo sapiens | Androgen Receptor - Homo sapiens | Sialidase - Clostridium perfringens | Cytochrome P450 19A1 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Pyruvate kinase - Leishmania mexicana | ATPase family AAA domain-containing protein 5 - Homo sapiens | Neuraminidase - Influenza A virus | Dopamine transporter - Homo sapiens | Serotonin 2c (5-HT2c) receptor - Homo sapiens | Estradiol 17-beta-dehydrogenase 2 - Homo sapiens | Multidrug resistance-associated protein 1 - Homo sapiens | Thrombopoietin - Homo sapiens | Prelamin-A/C - Homo sapiens | DNA topoisomerase II alpha - Homo sapiens | Peripheral myelin protein 22 - Homo sapiens | Estradiol 17-beta-dehydrogenase 1 - Homo sapiens | Adenosine A2a receptor - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Cytochrome P450 2C19 - Homo sapiens | Neuraminidase - Influenza A virus (A/Puerto Rico/8/1934(H1N1)) | Aldose reductase - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Quinone oxidoreductase - Mus musculus | LXR-beta - Homo sapiens | Survival motor neuron protein - Homo sapiens | Salivary alpha-amylase - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Cellular tumor antigen p53 - Homo sapiens | Monoamine oxidase A - Homo sapiens | Ornithine decarboxylase - Homo sapiens | P-glycoprotein 1 - Homo sapiens | Peroxisome proliferator-activated receptor gamma - Homo sapiens | Tyrosine-protein kinase YES - Homo sapiens | LXR-alpha - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Aldehyde oxidase - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Geminin - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Adenosine A2a receptor - Rattus norvegicus | Sialidase 2 - Homo sapiens | Tyrosine-protein kinase SYK - Homo sapiens | Ras-related protein Rab-9A - Homo sapiens | Testis-specific androgen-binding protein - Homo sapiens | Cystic fibrosis transmembrane conductance regulator - Rattus norvegicus | Cruzipain - Trypanosoma cruzi | Niemann-Pick C1 protein - Homo sapiens | Aldose reductase - Rattus norvegicus | 78 kDa glucose-regulated protein - Homo sapiens | Adenosine A1 receptor - Rattus norvegicus | Tyrosinase - Mus musculus | Cytochrome P450 1A2 - Homo sapiens | Hypoxia-inducible factor 1 alpha - Homo sapiens | Flap endonuclease 1 - Homo sapiens | M-phase phosphoprotein 8 - Homo sapiens | Sphingomyelin phosphodiesterase - Homo sapiens | Voltage-gated L-type calcium channel alpha-1C subunit - Rattus norvegicus | Tyrosine-protein kinase FYN - Homo sapiens | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Tyrosine-protein kinase BMX - Homo sapiens | ATP-binding cassette sub-family G member 2 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Fatty acid synthase - Plasmodium falciparum | Serine/threonine-protein kinase AKT - Homo sapiens | Serine/threonine-protein kinase PIM1 - Homo sapiens | Tyrosine-protein kinase SRC - Homo sapiens | Thromboxane-A synthase - Homo sapiens | Cyclooxygenase-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Androgen Receptor - Rattus norvegicus | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | DNA polymerase beta - Homo sapiens | Arachidonate 15-lipoxygenase - Oryctolagus cuniculus | Protein kinase Pfmrk - Plasmodium falciparum | Death-associated protein kinase 1 - Homo sapiens |Org= Rattus norvegicus | Callosobruchus chinensis | Tribolium castaneum | Rhyzopertha dominica | Sitophilus oryzae | Achaea janata | Plasmodium falciparum | Human immunodeficiency virus 1 | Hepatitis C virus | Cavia porcellus | Saccharomyces cerevisiae | Escherichia coli | Trypanosoma brucei brucei | Giardia intestinalis | Plasmodium berghei | Leishmania donovani |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Breast Carcinoma|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Gen=Protein Tyrosine Kinase |
3D viewer |
Pubchem |
3KGU 3KGT 1QKM 1X7J |
5280961 |
446-72-0 |
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O |
|
270.24000 |
C15H10O5 |
2.14 |
2 |
3 |
87.00 |
1.0 |
20 |
3 |
Genistein, a phytoestrogen found in soy products, is a highly specific inhibitor of protein tyrosine kinase (PTK) which blocks the mitogenic effect mediated by EGF on NIH-3T3 cells with IC50 of 12?M or by insulin with IC50 of 19 ?M. |
N/A |
| Marlignan L |
natural product |
Schisandra chinensis|Schisandra wilsoniana |
Org=Human immunodeficiency virus 1 |
Dis=Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Org=Human immunodeficiency virus 1 |
3D viewer |
Pubchem |
|
46832527 |
No Cas |
CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)O)OC)OC)OC)OC)O |
MJFWZSINVRYQFD-SAHAZLINSA-N |
404.18000 |
C22H28O7 |
-0.6577 |
1 |
3 |
97.61 |
13.0 |
29 |
3 |
|
|
| Zapotin |
natural product |
Casimiroa edulis|Caralluma russeliana|Grosvenoria rimbachii|Ursinia anthemoides|Amomum reticulatum|Helianthus californicus|Imperata cylindrica|Ascodesmis sphaerospora|Dalbergia monetaria|Spiraea prunifolia|Espeletiopsis purpurascens|Alpinia officinarum|Polypodium aureum|Lactarius fuliginosus|Plectranthus hereroensis |
Ornithine decarboxylase - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia |
3D viewer |
Pubchem |
|
629965 |
14813-19-5 |
COC1=C(C(=CC=C1)OC)C2=CC(=O)C3=C(O2)C=CC(=C3OC)OC |
PBQMALAAFQMDSP-UHFFFAOYSA-N |
342.11000 |
C19H18O6 |
-0.7108 |
1 |
0 |
63.22 |
9.0 |
25 |
3 |
Zapotin prevents mouse skin tumorigenesis during the stages of initiation and promotion.|The tetramethoxyflavone zapotin selectively activates protein kinase C epsilon, leading to its down-modulation accompanied by Bcl-2, c-Jun and c-Fos decrease. |
Zapotin|14813-19-5|CHEMBL375582|5,6,2',6'-tetramethoxyflavone|2-(2,6-dimethoxyphenyl)-5,6-dimethoxychromen-4-one|Flavone, 2',5,6,6'-tetramethoxy-|AC1LCGQ2|SCHEMBL3307703|2',6',5,6-Tetramethoxyflavon|2-(2,6-Dimethoxyphenyl)-5,6-dimethoxy-4H-chromen-4-one|DTXSID80348078|2',5,6,6'-Tetramethoxyflavone|MolPort-005-945-165|PBQMALAAFQMDSP-UHFFFAOYSA-N|4H-1-Benzopyran-4-one, 2-(2,6-dimethoxyphenyl)-5,6-dimethoxy-|5,6,2'',6''-tetramethoxyflavone|BDBM50202558|LMPK12110091|ZINC14756841|AKOS015906458|MCULE-4499426508|FT-0766501|I14-21771|2-(2,6-Dimethoxyphenyl)-5,6-dimethoxy-4H-chromen-4-one #| |
| Kushenol H |
natural product |
Sophora flavescens|Piper regnellii|Clerodendrum bungei|Embelia schimperi|Onopordum acanthium|Eria anomala|Vernonia fagifolia|Dendronephthya griffini|Vellozia nanuzae|Asimina parviflora|Myxococcus stipitatus|Planchonia grandis|Ephedra sinica|Lythrum salicaria|Latrunculia magnifica|Pancratium sickenbergeri|Esenbeckia leiocarpa|Aplophyllum alberti-regelii|Simarouba glauca|Conus mus|Haplophyllum obtusifolium|Chondrodendron tomentosum|Theonella conica|Abelia chinensis|Cordia leucocephala|Erysimum leptophyllum|Siphonaria capensis|Euphorbia nematocypha|Lycogala epidendrum|Embelia parviflora|Atraphaxis spinosa|Syzygium polycephaloides|Diospyros assimilis|Erythrina melanacantha|Faramea salicifolia|Helichrysum tenuifolium|Plathymenia reticulata|Morella rubra|Centaurea maculosa|Lemaireocereus longispinus|Shigella dysenteriae|Dolabella californica|Rhinella marina|Pteridium esculentum|Monsonia senegalensis|Hypericum styphelioides|Epilobium hirsutum|Baccharis neglecta|Tricholoma columbetta|Gymnocalycium schickendantzii |
Org=Human herpesvirus 2 | Human herpesvirus 1 |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Org=Human herpesvirus 2 | Human herpesvirus 1 |
3D viewer |
Pubchem |
|
44584091 |
No Cas |
CC(=C)C(CCC(C)(C)O)CC1=C(C=C(C2=C1OC(C(C2=O)O)C3=C(C=C(C=C3)O)O)OC)O |
YWHHRFNOJTVNBI-HVVPNVAPSA-N |
472.21000 |
C26H32O8 |
-0.7044 |
3 |
5 |
136.68 |
17.0 |
34 |
3 |
|
|
| Cannabichromene |
natural product |
Cannabis sativa|Handelia trichophylla|Tanacetum parthenium |
Path=TRPV1 pathway|Transient receptor potential cation channel subfamily A member 1 - Rattus norvegicus |Org= Staphylococcus aureus |
Dis=Acute Myeloid Leukemia|Basophilic Leukemia|Breast Cancer|Breast Carcinoma|Ductal Adenocarcinoma|Central Nervous System Cancers|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Kidney Cancer|human embryonic kidney contains adenovirus|Prostate Cancer|prostate Carcinoma|Org=Staphylococcus aureus |
3D viewer |
Pubchem |
|
30219 |
20675-51-8 |
CCCCCC1=CC2=C(C=CC(O2)(C)CCC=C(C)C)C(=C1)O |
UVOLYTDXHDXWJU-UHFFFAOYSA-N |
314.22000 |
C21H30O2 |
1.3251 |
0 |
1 |
29.46 |
12.0 |
23 |
2 |
Effect of cannabichromene on hepatic microsomal enzyme activity in the mouse.|Non-psychoactive cannabinoids modulate the descending pathway of antinociception in anaesthetized rats through several mechanisms of action. |
CANNABICHROMENE|Cannabichrome|20675-51-8|Cannanbichromene|Pentylcannabichromene|Cannabinochromene|CHEBI:3357|CHEMBL422704|UVOLYTDXHDXWJU-UHFFFAOYSA-N|2H-1-Benzopyran-5-ol, 2-methyl-2-(4-methyl-3-pentenyl)-7-pentyl-|2-methyl-2-(4-methylpent-3-enyl)-7-pentyl-chromen-5-ol|2-Methyl-2-(4-methyl-3-pentenyl)-7-pentyl-2H-1-benzopyran-5-ol|Cannabichchromene|(+/-)-Cannabichromene|AC1L1J1X|(.+/-.)-Cannabichromene|SCHEMBL144938|MolPort-039-052-650|BDBM50318486|NSC291831|AKOS032948832|NSC-291831|2H-1-Benzopyran-5-ol, (.+-.)-|4CN-2453|BC272060|LS-39404|( inverted exclamation markA)-Cannabichromene|C08998|2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol|2-Methyl-2-(4-methyl-3-pentenyl)-7-pentyl-2H-chromen-5-ol|2-Methyl-2-(4-methylpent-3-en-1-yl)-7-pentyl-2H-chromen-5-ol|2H-1-Benzopyran-5-ol, 2-methyl-2-(4-methyl-3-penten-1-yl)-7-pentyl-|2H-1-Benzopyran-5-ol,2-methyl-2-(4-methyl-3-penten-1-yl)-7-pentyl-|2-Methyl-2-(4-methyl-pent-3-enyl)-7-pentyl-2H-chromen-5-ol(cannabichromene)|2H-1-Benzopyran-5-ol, 2-methyl-2-(4-methyl-3-pentenyl)-7-pentyl-, (.+/-.)-|18793-28-7| |
| 1-O-Acetylbritannilactone |
natural product |
Inula britannica|Inula japonica |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma |
3D viewer |
Pubchem |
|
10063871 |
No Cas |
CC1=C(C(C2C(C1)OC(=O)C2=C)O)C(C)CCCOC(=O)C |
QKUFZFLZBUSEHN-CIGJXOAISA-N |
308.16000 |
C17H24O5 |
0.366 |
5 |
1 |
72.83 |
10.0 |
22 |
2 |
[Inulicin inhibits activation and expression of vascular remodeling enzymes induced by de-endothelium]. |
|
| Isocudraniaxanthone B |
natural product |
Cudrania tricuspidata |
Acyl coenzyme A:cholesterol acyltransferase 2 - Homo sapiens | Acyl coenzyme A:cholesterol acyltransferase 1 - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |
3D viewer |
Pubchem |
|
10831150 |
199851-52-0 |
CC(C)(C=C)C1=C(C=C(C2=C1OC3=C(C2=O)C=CC(=C3O)O)O)OC |
PELOBHLTYBBGDO-UHFFFAOYSA-N |
342.11000 |
C19H18O6 |
-0.2289 |
1 |
3 |
96.22 |
9.0 |
25 |
3 |
|
|
| 8-Prenylapigenin |
natural product |
Genista ephedroides|Glycyrrhiza glabra|Glycyrrhiza inflata|Glycyrrhiza uralensis |
Phosphodiesterase 5A - Homo sapiens |
Dis=acute myeloid leukemia|humanperipherallymphocyte |
3D viewer |
Pubchem |
|
10246505 |
72357-31-4 |
CC(=CCC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=C(C=C3)O)O)O)C |
MEHHCBRCXIDGKZ-UHFFFAOYSA-N |
338.12000 |
C20H18O5 |
-0.0071 |
1 |
3 |
86.99 |
8.0 |
25 |
3 |
Potent inhibition of human phosphodiesterase-5 by icariin derivatives.|Flavonoid-induced autophagy in hormone sensitive breast cancer cells.|Anti-inflammatory and vascularprotective properties of 8-prenylapigenin. |
Licoflavone C|8-Prenylapigenin|72357-31-4|UNII-0DQ85982ZY|4',5,7-Trihydroxy-8-prenylflavone|CHEMBL371562|0DQ85982ZY|MEGxp0_002023|SCHEMBL1231403|ACon1_001079|ZINC21406|MolPort-001-742-698|4,5,7-trihydroxy-8-prenylflavone|5,7,4'-Trihydroxy-8-prenylflavone|BDBM50240972|LMPK12110422|AKOS027326549|4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-|NCGC00169697-01|BRD-K74687851-001-01-8|5,7-Dihydroxy-2-(4-hydroxy-phenyl)-8-(3-methyl-but-2-enyl)-chromen-4-one| |
| Imperialine |
natural product |
Fritillaria ussuriensis|Diospyros lotus|Caragana stenophylla|Fritillariae pallidiflorae bulbus|Choristoneura rosaceana|Fritiliariae irrhosae bulbus|Fritillaria pallidiflora|Fritillariaeussuriensis bulbus|Fritillaria cirrhosa|Fritillaria delavayi|Pleurospermum rivulorum|Fritillaria prezewalskii|Fritillaria unibracteata|Saposhnikovia divaricata|Fritillaria przewalskii|Peucedanum rubricaule|Fritillaria taipaiensis|Fritillaria walujewii|Fritillaria thunbergii|Strophanthus divaricatus|Fritillaria imperialis|Fritillaria verticillata|Fritillaria taipaiensis var. ningxiaensis|Seseli yunnanense|Angelica taiwaniana|Murraya paniculata|Bulbus fritillariae|Acacia trineura|Piptadenia pervillei|Isochrysis galbana|Conoideocrella tenuis|Haplopappus rengifoanus|Trichopezizella barbata|Boletinus cavipes|Salvia macrosiphon|Agaricus albus|Inga reticulata|Fomitopsis spraguei|Cenchrus setaceus |
Path=BCL2 pathway|BAX pathway|CASP3 pathway|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Head and Neck Cancers|Oral Squamous Cell Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma |
3D viewer |
Pubchem |
|
442977 |
61825-98-7 |
CC1CCC2C(C3CCC4C(C3CN2C1)CC5C4CC(=O)C6C5(CCC(C6)O)C)(C)O |
IQDIERHFZVCNRZ-LRCDAWNTSA-N |
429.32000 |
C27H43NO3 |
-1.7921 |
4 |
2 |
60.77 |
5.0 |
31 |
6 |
Subtypes of muscarinic receptors in rat duodenum: a comparison with rabbit vas deferens, rat atria, guinea-pig ileum and gallbladder by using imperialine.|Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.|Novel LC-MS/MS method for analyzing imperialine in rat plasma: development, validation, and application to pharmacokinetics.|The natural product peiminine represses colorectal carcinoma tumor growth by inducing autophagic cell death.|Antiallergic effects of peiminine through the regulation of inflammatory mediators in HMC-1 cells.|The Isosteroid Alkaloid Imperialine from Bulbs of Fritillaria cirrhosa Mitigates Pulmonary Functional and Structural Impairment and Suppresses Inflammatory Response in a COPD-Like Rat Model. |
Imperialine|sipeimine|61825-98-7|UNII-JKN43410XZ|Kashmirine|JKN43410XZ|(3-beta,5-alpha,17-beta)-3,20-Dihydroxycevan-6-one|Cevan-6-one, 3,20-dihydroxy-, (3-beta,5-alpha,17-beta)-|C27H43NO3|Raddeamine|Raddeamine;|Imperialine ,(S)|Imperialine (6CI,7CI)|AC1L9DS5|CHEMBL1623724|MolPort-007-980-865|HY-N0696|ZINC8214406|AKOS001580849|CS-3729|LS-52877|peiminine, (3beta,5alpha,17beta)-isomer|N2485|V1532|SR-01000805467|Q-100713|SR-01000805467-3|Cevan-6-one,3,20-dihydroxy-, (3beta,5alpha,17beta)-|(3S,4aS,6aS,6bS,8aR,9S,9aS,12S,15aS,15bR,16aS,16bR)-3,9-dihydroxy-9,12,16b-trimethyldocosahydrobenzo4,5indeno1,2-hpyrido1,2-bisoquinolin-5(1H)-one| |
| 17-Epi-Holacurtine |
natural product |
Holarrhena curtisii |
Org=Leishmania donovani |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Org=Leishmania donovani |
3D viewer |
Pubchem |
|
10672742 |
17-epi-holacurtine |
CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C(=O)C)O)C)C)OC)NC |
VPLNNEMLBWLRFQ-BQZCUTETSA-N |
491.36000 |
C29H49NO5 |
-0.8597 |
6 |
2 |
77.02 |
12.0 |
35 |
5 |
|
|
| 5'''-Episilvestrol |
natural product |
Aglaia silvestris|Aglaia foveolata| |
Path=CCNA2 pathway|TP53 pathway|ATF1 pathway|ATF2 pathway|ATF3 pathway|ATF5 pathway|BAK1 pathway|BCL2L1 pathway|CASP10 pathway|CASP2 pathway|CASP4 pathway|CASP9 pathway|CDKN1A pathway|E2F1 pathway|E2F2 pathway|EP300 pathway|GADD45B pathway|GAS1 pathway|Nuclear factor NF-kappa-B p65 subunit - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Breast Cancer|Ductal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Prostate Cancer|Prostate Adenocarcinoma|Breast Cancer |
3D viewer |
Pubchem |
|
11679084 |
No Cas |
COC1C(OC(CO1)C(CO)O)OC2=CC(=C3C(=C2)OC4(C3(C(C(C4C5=CC=CC=C5)C(=O)OC)O)O)C6=CC=C(C=C6)OC)OC |
GVKXFVCXBFGBCD-GTDORJALSA-N |
654.23000 |
C34H38O13 |
-3.3108 |
9 |
4 |
171.83 |
19.0 |
47 |
6 |
|
|
| Epoxycembrene A |
natural product |
Nephthea brassica |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Cervical Cancer|Cervical Carcinoma Papilloma |Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma |
3D viewer |
Pubchem |
|
10859180 |
No Cas |
CC1=CCCC2(C(O2)CC(CCC(=CCC1)C)C(=C)C)C |
KEOMEGAHKSPEBP-VWTPCSIPSA-N |
288.25000 |
C20H32O |
4.0291 |
1 |
0 |
12.53 |
5.0 |
21 |
2 |
|
|
| Sansevistatin 2 |
natural product |
Sansevieria ehrenbergii |
Org=Filobasidiella neoformans | Streptococcus pneumoniae |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|large cell carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|prostate Carcinoma|Org=Filobasidiella neoformans | Streptococcus pneumoniae |
3D viewer |
Pubchem |
|
11158752 |
No Cas |
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(CO8)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1 |
HSOMTBUZSIVDQK-IPKCVOQPSA-N |
854.47000 |
C44H70O16 |
-3.9529 |
16 |
8 |
235.68 |
20.0 |
60 |
9 |
|
|
| Coenzyme Q9 |
natural product |
Sparassis crispa|Coltricia cinnamomea|Eremophila latrobei|Homo sapiens|Glycosmis craibii|Murex brandaris|Baccharoides adoensis|Pinus pinaster|Yucca baccata|Erythrina suberosa|Allii fistulost bulbus|Rhodiola rosea |
Path=PTGER2 pathway |
Dis=Acute Lymphoblastic Leukemia|Abelson murine leukemia virus-induced tumor|Org=Coptotermes formosanus |
3D viewer |
Pubchem |
|
5280473 |
303-97-9 |
CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C |
UUGXJSBPSRROMU-WJNLUYJISA-N |
794.62000 |
C54H82O4 |
11.3966 |
4 |
0 |
52.60 |
41.0 |
58 |
1 |
Synthesis of ubiquinone 9 by adult Brugia pahangi and Dirofilaria immitis: evidence against its involvement in the oxidation of 5-methyltetrahydrofolate.|Coenzymes Q9 and Q10 in skeletal and cardiac muscle in tumour-bearing exercising rats.|Determination of ubiquinone-9 and 10 levels in rat tissues and blood by high-performance liquid chromatography with ultraviolet detection.|1-Methyl-4-phenyl-2,3-dihydropyridinium is transformed by ubiquinone to the selective nigrostriatal toxin 1-methyl-4-phenylpyridinium.|Pneumocystis carinii f. sp. carinii synthesizes de novo four homologs of ubiquinone.|Silencing of ubiquinone biosynthesis genes extends life span in Caenorhabditis elegans. |
Coenzyme Q9|Ubiquinone-9|303-97-9|Ubiquinone 9|Ubiquinone 45|Ubiquinone-45|CoQ9|Coenzyme Q(sub 9)|Ubiquinone Q(sub 9)|CoQ(sub 9)|UNII-MGW7TYF2DQ|Ubiquinone Q9|Coenzyme Q(9)|MGW7TYF2DQ|NSC 226993|BRN 1900081|CHEBI:18160|ubiquinone Q-9|p-Benzoquinone, 2,3-dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-|Q-9|coenzyme-Q9|ubiquinone(9)|2,3-Dimethoxy-5-methyl-6-((2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl)cyclohexa-2,5-diene-1,4-dione|2,3-dimethoxy-5-methyl-6-(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-ylcyclohexa-2,5-diene-1,4-dione|C54H82O4|AC1NQX2M|4-08-00-03313 (Beilstein Handbook Reference)|CHEMBL2252965|Coenzyme Q9 from Candida utilis|MolPort-044-724-245|ZINC8217487|LMPR02010004|MFCD00056635|NSC226993|AKOS027307694|Coenzyme Q9, >=96.0% (HPLC)|CS-6359|NSC-226993|LS-40351|HY-101415|C01967|J-017946|2-methyl-3-nonaprenyl-5,6-dimethoxy-1,4-benzoquinone|Ubidecarenone impurity D, European Pharmacopoeia (EP) Reference Standard|Ubidecarenone Related Compound A, United States Pharmacopeia (USP) Reference Standard|2,3-dimethoxy-5-methyl-6-(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl-1,4-benzoquinone|2,3-dimethoxy-5-methyl-6-(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenylcyclohexa-2,5-diene-1,4-dione|2,4-dione, 2,3-dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-, (all-E)-|2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-, (all-E)-|2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-, (all-E)- (9CI)|3-Methyl-5,6-dimethoxy-2-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonene-1-yl)-1,4-benzoquinone|p-Benzoquinone, 2,3-dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)- (VAN)|p-Benzoquinone, 2,3-dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)- (VAN) (8CI)|p-Benzoquinone,3-dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-| |
| Cyclosporine |
bioactive compound |
Mycale hentscheli |
Gen=phosphatase,Immunology & Inflammation related|immunosuppressant |
Dis=Acute Myeloid Leukemia|Acute Myeloid Leukemia|Gen=Others |
3D viewer |
Pubchem |
4Y0Z 1YLC 1YLD 1WZ5 |
6435893 |
79217-60-0 |
CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C |
PMATZTZNYRCHOR-CGLBZJNRSA-N |
1202.61000 |
C62H111N11O12 |
4.333 |
11 |
5 |
279.00 |
15.0 |
85 |
|
Cyclosporine is a calcineurin phosphatase pathway inhibitor, used as an immunosuppressant drug to prevent rejection in organ transplantation. |
cyclosporin A|cyclosporine|Ciclosporin|59865-13-3|Ciclosporine|Neoral|Cyclosporine A|Cyclosporin|Ciclosporina|Ciclosporinum|Sandimmune|Equoral|Neoplanta|Sandimmun|Sang-35|Gengraf|Sandimmun Neoral|UNII-83HN0GTJ6D|Antibiotic S 7481F1|Consupren|Restasis|Ramihyphin A|SangCyA|83HN0GTJ6D|MLS001333756|CHEBI:4031|CSA|S-Neoral|Cipol N|Sigmasporin Microoral|Sang 35|DSSTox_CID_365|Ciclosporine [INN-French]|Ciclosporinum [INN-Latin]|Ciclosporina [INN-Spanish]|Ciclosporin (Ciclosporin A)|DSSTox_RID_75541|DSSTox_GSID_20365|SDZ-OXL 400|OL 27-400|CCRIS 1590|HSDB 6881|Abrammune|Imusporin|Seciera|Vekacia|DRG-0275|Papilock Mini|Arpimune ME|Zinograf ME|Sandimmune Neoral|C62H111N11O12|NSC 290193|Ciclosporina Germed|S 7481F1|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone|CYA|SMR000058578|Cicloral (antibiotic)|Debio088|79217-60-0|Cyclosporine [USAN:USP]|Sigmasporin|Cyclokat|Mitogard|Papilock|Pulminiq|Zyclorin|CicloMulsion|CyclosporinA|Ciclosporin DT|Consupren S|NSC290193|Modusik-A|NeuroSTAT|1cyn|2wfj|4jjm|Cipol-N|NCGC00016890-01|Neoral, Sandimmune|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,2|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19|(R-(R*,R*-(E)))-Cyclic(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-3-hydroxy-N,4-dimethyl-L-2-amino-6-octenoyl-L-alpha-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl)|Cyclo(((E)-(2S,3R,4R)-3-hydroxy-4-methyl-2-(methylamino)-6-octenoyl)-L-2-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl)|Cyclo(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-((3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methylleucyl)|Cyclo[[(E)-(2S,3R,4R)-3-hydroxy-4-methyl-2-(methylamino)-6-octenoyl]-L-2-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl]|Prestwick_731|Ciclosporin [INN]|CAS-59865-13-3|CsA & IFN.alpha.|1c5f|2z6w|Prestwick2_000435|Prestwick3_000435|CHEMBL160|Sang-2000|AC1NR4C4|SCHEMBL3491|SCHEMBL4442|Nova-22007|Ikervis (opthalmic solution)|BSPBio_000450|Cyclosporin A & IFN.alpha.|MLS000028376|MLS002153454|MLS002207033|Verkazia (opthalmic solution)|BPBio1_000496|GTPL1024|DTXSID0020365|CHEBI:92233|AOB2581|ATH-002|OLO-400|CB-01-09 MMX|MolPort-006-705-994|PMATZTZNYRCHOR-CGLBZJNRSA-N|HMS1569G12|HMS2089A09|HMS2096G12|HMS2230M14|HMS3713G12|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone|(R-[R*,R*-(E)])-Cyclic(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-3-hydroxy-N,4-dimethyl-L-2-amino-6-octenoyl-L-alpha-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl)|1,11-cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(E)-(2S,3R,4R)-2-amino-3-hydroxy-N,4-dimethyloct-6-enoyl-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucine]|30-Ethyl-33-(1-hydroxy-2-methyl-hex-4-enyl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone|30-ethyl-33-[(4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone|30-ethyl-33-[(4E)-1-hydroxy-2-methylhex-4-en-1-yl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone|Cyclo(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-((3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl)-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methylleucyl)|Tox21_110667|Tox21_301849|BDBM50022815|DE-076|MFCD00274558|ST-603|Cyclosporin A, >=98.5% (TLC)|AKOS015969287|AKOS015994720|Tox21_110667_1|CCG-208184|DB00091|EBD2126862|KS-1257|NCGC00093704-12|NCGC00164258-01|NCGC00164258-02|NCGC00164258-03|NCGC00255232-01|AT-12519|C042|OL-27400|SBI-0050230.P003|AB0090560|5946-EP0930075A1|5946-EP2289877A1|5946-EP2292601A1|5946-EP2292602A1|5946-EP2292603A1|5946-EP2292604A2|5946-EP2292618A1|5946-EP2293650A1|5946-EP2298737A1|5946-EP2298739A1|5946-EP2298740A1|5946-EP2298741A1|5946-EP2298771A2|5946-EP2301920A1|5946-EP2301940A1|5946-EP2308843A1|5946-EP2308861A1|J10181|J90049|865C133|Cyclosporin A, VETRANAL(TM), analytical standard|SR-01000780563|BMT-ABA-SAR-MLE-VAL-MLE-ALA-ALA-MLE-MLE-MVA|BMT-ABA-SAR-MLE-VAL-MLE-ALA-DAL-MLE-MLE-MVA|Q-200913|SR-01000780563-3|BRD-K03222093-001-01-8|BRD-K13533483-001-03-0|Ciclosporin, European Pharmacopoeia (EP) Reference Standard|Cyclosporin A, from Tolypocladium inflatum, >=95% (HPLC), solid|Cyclosporine, United States Pharmacopeia (USP) Reference Standard|Ciclosporin for system suitability, European Pharmacopoeia (EP) Reference Standard|Cyclosporin A, from Tolypocladium inflatum, BioReagent, for molecular biology, >=95%|Cyclosporine, Pharmaceutical Secondary Standard; Certified Reference Material|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,1|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone|104250-72-8|223528-56-1|30-Ethyl-33-((E)-1-hydroxy-2-methyl-hex-4-enyl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,28-octamethyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone|56645-58-0| |
| Mycalamide B |
natural product |
Mycale spp|Theonella sp|mycale sp. |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
11060358 |
No Cas |
CC1C(OC(CC1=C)(C(C(=O)NC2C3C(C(C(C(O3)CC(CO)OC)(C)C)OC)OCO2)O)OC)C |
AAABMNXUOFPYQK-GRMLSQNXSA-N |
517.29000 |
C25H43NO10 |
-1.2341 |
11 |
3 |
137.66 |
19.0 |
36 |
3 |
Change of ras-transformed NRK-cells back to normal morphology by mycalamides A and B, antitumor agents from a marine sponge.|Antitumor activity and mechanism of action of the novel marine natural products mycalamide-A and -B and onnamide.|Inhibition of eukaryotic translation elongation by the antitumor natural product Mycalamide B.|Mycalamides, pederin and psymberin as natural carbohydrates and potential antitumor agents: past and future perspectives. |
|
| (+)-Beta-Pinene |
natural product |
Schefflera heptaphylla|Satureja hortensis|Aspergillus carneus|Alcyonium utinomii|Blumea mollis|Fragaria vesca|Zingiber officinale|Eucalyptus jenseni|Aquilegia ecalcarata|Maesa ramentacea|Aplysina archeri|Millettia laurentii|Pseudoplexaura flagellosa|Panax innovans|Ipomoea cairica|Balanops australiana|Euonymus tingens|Sordaria araneosa|Araiostegiella perdurans|Alpinia blepharocalyx|Anarsia lineatella|Gardenia tubifera|Perilla frutescens|Dipterocarpus dyeri|Ledebouria socialis|Rhodobacter sphaeroides|Chlorophytum borivilianum|Ceanothus velutinus|Aldisa sanguinea|Aspergillus striatus|Ocimum tenuiflorum|Pinus sylvestris|Penicillium cinerascens|Penicillium janczewskii|Lycopus europaeus|Pluchea odorata|Monodora tenuifolia|Aconitum leucostomum|Garcinia scortechinii|Panax notoginseng|Nototodarus sloanii|Aonidiella aurantii|Olibanun|Kokoona reflexa|Viguiera decurrens|Macrolepiota neomastoidea|Curcumaelongae rhizoma|Sideritis brevibracteata|Melolontha melolontha|Moslae herba|Isodon lophanthoides|Myristicae semen|Apollonias barbujana|Codonopsis radix|Cortinarius odoratus|Canarii fructus|Persea mexicana|Houttuyniae herba|Hylocomium splendens|Alcea rosea|Schizonepetae herba|Eleutherobia albiflora|Platycladi cacumen|Salvia yosgadensis|Curcumae rhizoma|Lasianthus fordii|Asari radix et rhizoma|Artemisia hanseniana|Borneolum syntheticum|Schisandrae chinensis fructus|Sideroxylon cubense|Coriandri sativi herba|Kopsia grandifolia|Alpinia oxyphylla|Anguilla japonica|Pinus strobus|Gymnopus confluens|Euphorbia cornigera|Salacia lehmbachii |
Org=Bacillus cereus | Salmonella typhimurium | Staphylococcus aureus | Listeria monocytogenes | Escherichia coli O157:H7 | Vibrio parahaemolyticus |
Dis=Breast Cancer|Ductal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Melanoma|malignant melanoma|Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Org=Bacillus cereus | Salmonella typhimurium | Staphylococcus aureus | Listeria monocytogenes | Escherichia coli O157:H7 | Vibrio parahaemolyticus |
3D viewer |
Pubchem |
|
10290825 |
19902-08-0 |
CC1(C2CCC(=C)C1C2)C |
WTARULDDTDQWMU-RKDXNWHRSA-N |
136.13000 |
C10H16 |
1.3695 |
0 |
0 |
0.00 |
2.0 |
10 |
1 |
|
(+)-beta-Pinene|19902-08-0|beta-Pinene, (+)-|UNII-IGO73S04D5|IGO73S04D5|CHEBI:50026|(1R,5R)-pin-2(10)-ene|(1R,5R)-6,6-dimethyl-2-methylidenebicyclo3.1.1heptane|Nopinen|(1R,5R)-6,6-Dimethyl-2-methylenebicyclo(3.1.1)heptane|(1R,5R)-6,6-Dimethyl-2-methylenebicyclo3.1.1heptane|D-beta-Pinene|beta-Pinene-(+)|(1R)-(+)-beta-Pinene|(+)-2(10)-Pinene|FEMA No. 2903, (+)-|(1R,5R)-beta-pinene|2(10)-Pinene, (1R,5R)-(+)-|CHEMBL2269085|CTK8F1479|KS-00000VRK|DTXSID00173682|WTARULDDTDQWMU-RKDXNWHRSA-N|(1R,5R)-2(10)-Pinene|Bicyclo(3.1.1)heptane, 6,6-dimethyl-2-methylene-, (1R)-|ZINC967582|(+)-beta-Pinene, analytical standard|AKOS025311429|AJ-24534|ZB015466|(1R,5R)-6,6-dimethyl-2-methylene-norpinane|C20244|J-500364|(1R,5R)-6,6-dimethyl-2-methylene-bicyclo3.1.1Heptane|UNII-4MS8VHZ1HJ component WTARULDDTDQWMU-RKDXNWHRSA-N|(1R,5R)-6,6-Dimethyl-2-methylenebicyclo3.1.1hept-2-ene|Bicyclo3.1.1heptane, 6,6-dimethyl-2-methylene-, (1R,5R)-| |
| Hypericin |
natural product |
Hypericum perforatum|Blepharispermum hirtum|Shigella sonnei|Fuscoporia torulosa|Hypoxylon illitum|Acer tataricum subsp. ginnala|Blumeria graminis|Tethya aurantium|Centaurea angustifolia|Hyperici japonici herber|Herbahypericiperforati|Sedi herba|Forsythiae fructus|Hymenocallis amancaes |
Path=DDIT3 pathway|FOS pathway|NFKB1 pathway|TP53 pathway|MT2A pathway|ABCB5 pathway|Acetylcholinesterase - Electrophorus electricus | Human immunodeficiency virus type 1 integrase - Human immunodeficiency virus 1 | Thyroid hormone receptor beta-1 - Homo sapiens | Cholinesterase - Equus caballus | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Survival motor neuron protein - Homo sapiens | Bloom syndrome protein - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Arachidonate 15-lipoxygenase, type II - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Corticotropin releasing factor receptor 1 - Homo sapiens | Arachidonate 5-lipoxygenase - Bos taurus | ATP-dependent DNA helicase Q1 - Homo sapiens | Dopamine D3 receptor - Homo sapiens | Glutathione reductase - Saccharomyces cerevisiae S288c | Microtubule-associated protein tau - Homo sapiens | Thioredoxin reductase 2, mitochondrial - Rattus norvegicus | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | DNA polymerase kappa - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens |Org= Rattus norvegicus | Streptococcus mutans |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Org=Rattus norvegicus | Streptococcus mutans |
3D viewer |
Pubchem |
|
5281051 |
No Cas |
CC1=CC(=C2C3=C1C4=C5C(=C(C=C4C)O)C(=O)C6=C(C=C(C7=C6C5=C3C8=C7C(=CC(=C8C2=O)O)O)O)O)O |
BTXNYTINYBABQR-UHFFFAOYSA-N |
504.08000 |
C30H16O8 |
-2.0054 |
2 |
6 |
155.52 |
8.0 |
38 |
8 |
Studies of the mechanisms of action of the antiretroviral agents hypericin and pseudohypericin.|Hypericin and pseudohypericin specifically inhibit protein kinase C: possible relation to their antiretroviral activity.|Inhibition of neutrophil superoxide generation by hypericin, an antiretroviral agent.|Photodynamic inactivation of radiation leukemia virus produced from hypericin-treated cells.|Induction of apoptotic DNA fragmentation and cell death in HL-60 human promyelocytic leukemia cells by pharmacological inhibitors of protein kinase C.|Growth inhibition and apoptosis in human neuroblastoma SK-N-SH cells induced by hypericin, a potent inhibitor of protein kinase C. |
|
| Schigrandilactone A |
natural product |
Schisandra grandiflora |
Org=Human immunodeficiency virus 1 |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Org=Human immunodeficiency virus 1 |
3D viewer |
Pubchem |
|
44482062 |
No Cas |
CC1CC2(C3C(C(=O)C4(C3C5(O2)C(=O)C6(CCC7C(OC8C7(CC6(O5)CC4)OC(=O)C8)(C)CO)O)C)C)OC1=O |
KWZAQNBIRDZLHQ-LVMPUJEKSA-N |
560.23000 |
C29H36O11 |
-1.3943 |
11 |
2 |
154.89 |
7.0 |
40 |
8 |
|
|
| Mangostin |
natural product |
Garcinia mangostana|Garcinia cowa|Mangifera indica|Garcinia morella|Aplidium tabascum|Scleronephthya pallida|Serpocaulon triseriale|Actinopyga agassizi|Nicotiana sylvestris|Aster bellidiastrum|Arcyria denudata|Streptomyces alboniger|Wibelia divaricata|Senecio vellereus|Leptogorgia sarmentosa|Poria selecta|Lonicera hypoleuca|Dolomiaea souliei|Myelochroa aurulenta|Trametes cinnabarina|Garcinia fusca|Chromatium okenii|Eucalyptus camaldulensis|Pentadesma butyracea|Illicium difengpi|Garcinia staudtii|Garcinia dulcis|Cratoxylum cochinchinense|Halimodendron halodendron |
Gen=Others|Arachidonate 12-lipoxygenase - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Sialidase - Clostridium perfringens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | Nuclear factor NF-kappa-B p65 subunit - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Nuclear factor NF-kappa-B p105 subunit - Homo sapiens | Cytochrome P450 19A1 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Tumor necrosis factor receptor superfamily member 10B - Homo sapiens | Cruzipain - Trypanosoma cruzi | Neutral sphingomyelinase - Homo sapiens | Sphingomyelin phosphodiesterase - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | Fatty acid synthase - Homo sapiens |Org= Staphylococcus aureus | Fusarium oxysporum f. sp. vasinfectum | Pseudomonas aeruginosa | Mycobacterium tuberculosis | Alternaria tenuis | Plasmodium falciparum | Plasmodium falciparum (isolate FcB1 / Columbia) | Drechslera | Bacillus cereus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Prostate Cancer|Prostate Adenocarcinoma|Gen=Others |
3D viewer |
Pubchem |
4Y9B 4Y9C |
5281650 |
6147-11-1 |
CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C(=C(C=C3O2)O)OC)CC=C(C)C)O)C |
GNRIZKKCNOBBMO-UHFFFAOYSA-N |
410.17000 |
C24H26O6 |
1.9042 |
1 |
3 |
96.22 |
13.0 |
30 |
3 |
Inhibition of wheat embryo calcium-dependent protein kinase and other kinases by mangostin and gamma-mangostin.|Mangostin inhibits the oxidative modification of human low density lipoprotein.|Active constituents against HIV-1 protease from Garcinia mangostana.|The mode of inhibitory action of alpha-mangostin, a novel inhibitor, on the sarcoplasmic reticulum Ca(2+)-pumping ATPase from rabbit skeletal muscle.|Antibacterial activity of xanthones from guttiferaeous plants against methicillin-resistant Staphylococcus aureus.|Evaluation of the antifungal activity of natural xanthones from Garcinia mangostana and their synthetic derivatives. |
alpha-Mangostin|Mangostin|6147-11-1|1,3,6-Trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one|Mangostine|NSC27593|NSC30552|NSC-30552|UNII-U6RIV93RU1|U6RIV93RU1|CHEMBL323197|CHEBI:67547|GNRIZKKCNOBBMO-UHFFFAOYSA-N|1,3,6-trihydroxy-7-methoxy-2,8-diprenylxanthone|TNP00140|NSC 27593|NSC 30552|NSC 139154|AK105375|1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one|1,3,6-Trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-9H-xanthen-9-one|Q-100010|1,3,6-Trihydroxy-7-methoxy-2,8-bis(3,3-dimethylallyl)xanthone|1,3,6-Trihydroxy-7-methoxy-2,8-di(3-methyl-2-butenyl)xanthone|1,7-bis(3-methylbut-2-enyl)-3,6,8-trihydroxy-2-methoxyxanthen-9-one|1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)-9H-xanthen-9-one|a-Mangostin|9H-Xanthen-9-one,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-|Xanthen-9-one,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-|9H-Xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-|AC1NQYTD|Mangostin, a-Mangostin|Spectrum_001726|SpecPlus_000574|Spectrum2_001620|Spectrum3_001297|Spectrum4_001911|Spectrum5_000622|4-(4-Aminoethyl)Morpholine|BSPBio_002933|KBioGR_002529|KBioSS_002206|BIDD:ER0576|DivK1c_006670|SCHEMBL354735|SPECTRUM1504015|SPECTRUM1505128|SPBio_001659|CTK8C4814|HSDB 8103|KBio1_001614|KBio2_002206|KBio2_004774|KBio2_007342|KBio3_002153|KS-00000LYA|DTXSID00210420|MolPort-001-736-566|ACT09245|BCP13253|HY-N0328|ZINC5430812|alpha-Mangostin, >=98% (HPLC)|ANW-73224|BDBM50214969|CCG-36465|MFCD00135200|NSC-27593|NSC139154|AKOS015912806|AC-6089|CS-6435|DS-3359|MCULE-1080742368|NSC-139154|SDCCGMLS-0066796.P001|NCGC00017251-01|NCGC00017251-02|NCGC00017251-03|NCGC00017251-04|NCGC00017251-05|NCGC00095730-01|NCGC00095730-02|NCGC00095730-03|NCGC00178385-01|4CN-1087|AJ-54080|AN-10378|SC-86167|ST057241|AX8053706|DB-053898|TR-021173|FT-0635997|M2793|N1590|N2590|ST24036751|W2645|C10080|147M111|A833244|SR-05000002649|I14-4849|SR-05000002649-1|BRD-K11991978-001-02-6|BRD-K11991978-001-03-4|1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)-9-xanthenone|1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2-enyl)-xanthen-9-one|2-methoxy-1,7-bis(3-methylbut-2-enyl)-3,6,8-tris(oxidanyl)xanthen-9-one|1,3,6-Trihydroxy-7-methoxy-2,8-bis(3-methyl-2-buten-1-yl)-9H-xanthen-9-one|9H-Xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-buten-1-yl)-|9H-Xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)- (9CI)|9H-Xanthen-9-one,1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-|Xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)- (8CI)| |
| Cordycepin |
natural product |
Cordyceps sinensis|Cordyceps militaris|cordyceps militaris bcc 2816|Ophiocordyceps sinensis |
Path=MMP9 pathway|JUND pathway|NFKB1 pathway|TNF pathway|AKT1 pathway|MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|NFKBIA pathway|Gen=Others|Mitochondrial import inner membrane translocase subunit TIM23 - Saccharomyces cerevisiae S288c | ATP-dependent molecular chaperone HSP82 - Candida albicans (strain WO-1) (Yeast) | Adenosine A1 receptor - Rattus norvegicus | Hepatitis C virus NS5B RNA-dependent RNA polymerase - Hepatitis C virus |Org= Human immunodeficiency virus 1 | Trypanosoma brucei | Trypanosoma brucei brucei | Vaccinia virus | Trypanosoma cruzi | Plasmodium falciparum (isolate K1 / Thailand) | Human herpesvirus 1 | Leishmania donovani | Hepatitis C virus | Trichomonas vaginalis |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Bladder Cancer|Bladder carcinoma|Transitional Cell Carcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Murine BV2 microglia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Melanoma|Murine Melanoma|Gen=Others |
3D viewer |
Pubchem |
5M5K 6F3P 3B4C 3B4B |
6303 |
73-03-0 |
C1C(OC(C1O)N2C=NC3=C2N=CN=C3N)CO |
OFEZSBMBBKLLBJ-BAJZRUMYSA-N |
251.10000 |
C10H13N5O3 |
-2.0564 |
8 |
3 |
119.31 |
5.0 |
18 |
3 |
Effect of thiamin on cordycepin sensitivity in Saccharomyces cerevisiae.|Differential effects of heat shock and UVB light upon stress protein expression in epidermal keratinocytes.|Post-transcriptional regulation of S-adenosylmethionine synthetase from its stored mRNA in germinated wheat embryos.|Rapid induction of polyadenylate binding protein and stimulation of translational initiation in pituitary tumor cells exposed to phorbol ester.|Cordycepin analogues of 2',5'-oligoadenylate inhibit human immunodeficiency virus infection via inhibition of reverse transcriptase.|Antiviral effects of 2',5'oligoadenylates (2-5As), and related compounds. |
Cordycepin|3'-Deoxyadenosine|73-03-0|Cordycepine|9-Cordyceposidoadenine|ADENOSINE, 3'-DEOXY-|9-(beta-D-3'-Deoxyribofuranosyl)adenine|UNII-GZ8VF4M2J8|9H-Purine, 6-amino-9-(3-deoxy-beta-D-ribofuranosyl)-|NSC 401022|BRN 0035194|CCRIS 3233|EINECS 200-791-4|NSC 627047|GZ8VF4M2J8|CHEMBL305686|CHEBI:29014|OFEZSBMBBKLLBJ-BAJZRUMYSA-N|beta-D-erythro-Pentofuranoside, adenine-9 3-deoxy-|9H-Purin-6-amine, 9-(3-deoxy-beta-D-erythro-pentofuranosyl)-|(2R,3R,5S)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3-ol|9-(3-Deoxy-b-D-erythro-pentofuranosyl)-9H-purin-6-amine|(2R,3R,5S)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-ol|(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3-ol|3AD|SMR000058644|NSC 63984|NSC627047|Cordycepin,(S)|Cordyceps 7%|3''-deoxyadenosine|3'-deoxy-adenosine|PubChem16318|2'-OH-3'-dA erythro|AC1Q4Y1R|SCHEMBL98323|4-26-00-03594 (Beilstein Handbook Reference)|MLS001066343|MLS006012047|AC1L1M89|AMOT0014|GTPL4630|Cordyceps Sinensis fruiting body|DTXSID1041007|CTK8D4936|KS-00000FYA|BIC1025|MolPort-003-929-797|TCMDC-143080|HMS2234E22|HMS3677C16|Cordycepin, >=98.0% (HPLC)|HY-N0262|ZINC1319796|Cordycepin, from Cordyceps militaris|BDBM50144950|MFCD00037998|PDSP1_001033|PDSP2_001017|2'-Hydroxy-3'-deoxyadenosine erythro|AKOS015854875|AKOS015902254|AM85418|AN-1015|CS-W009017|DB12156|MCULE-4586318816|SB18953|NCGC00092360-03|AC-22613|AJ-25378|AK-94910|AS-11189|LS-15121|3 inverted exclamation marka-Deoxyadenosine|9-(beta-D-3''-Deoxyribofuranosyl)adenine|AB0020577|AX8122279|N2808|ST24046368|V1515|C08431|037C998|I14-13398|NCGC00092360-03_C10H13N5O3_3'-Deoxyadenosine|(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol| |
| Myrocin A |
natural product |
Arthrinium spp|Apiospora montagnei|Arthrinium sacchari|Arthrinium sp. |
|
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Non-Hodgkin's Lymphomas|lymphoma|Ovarian Cancer|Epithelial Ovarian Cancer |
3D viewer |
Pubchem |
|
11394232 |
No Cas |
CC1(CCC2CC23C1=C(C(=O)C4=CC(CC(=O)C34O)(C)C=C)O)C(=O)O |
XKJPVKHJPNQLKG-KPHJKFSFSA-N |
358.14000 |
C20H22O6 |
-0.2813 |
6 |
3 |
111.90 |
7.0 |
26 |
4 |
|
|
| Xanthomicrol |
natural product |
Dracocephalum kotschyi|Citrus sudachii|Phthorimaea operculella|Petalostemon gattingeri|Allium nutans|Ustilago sphaerogena|Solanum sodomeum|Acer triflorum|Zaluzianskya capensis|Canis lupus familiaris|Stachys mucronata|Dalea purpurea|Phytolaccae radix|Mentha arvensis|Mentha canadensis|Baccharis spp.|Sophora flavescens|Sideritis spp.|Trichoderma vinosum|Thymus spp.|Stachys glutinosa|Phytolacca americana|Rathayibacter rathayi|Mentha x piperita|Prunus cerasoides|Drimia sanguinea|Mosla chinensis|Sideritis spp|Baccharis spp|Mentha piperita|Thymus spp |
Delta opioid receptor - Mus musculus | Aldose reductase - Rattus norvegicus | Mu opioid receptor - Mus musculus |Org= Entamoeba histolytica |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Non-Melanoma Skin Cancers|human fetal foreskin fibroblast|Ovarian Cancer|Epithelial Ovarian Cancer |Soft Tissue Sarcoma|Mouse sarcoma|Org=Entamoeba histolytica |
3D viewer |
Pubchem |
|
73207 |
16545-23-6 |
COC1=C(C2=C(C(=C1OC)OC)OC(=CC2=O)C3=CC=C(C=C3)O)O |
SAMBWAJRKKEEOR-UHFFFAOYSA-N |
344.09000 |
C18H16O7 |
-1.5796 |
1 |
2 |
94.45 |
9.0 |
25 |
3 |
Inhibitory effect of xanthomicrol and 3 alpha-angeloyloxy-2 alpha-hydroxy-13,14Z-dehydrocativic acid from Brickellia paniculata on the contractility of guinea-pig ileum.|Bioactive constituents from Dracocephalum subcapitatum (O. Kuntze) Lipsky.|In vivo anti-inflammatory and antinociceptive activity evaluation of phenolic compounds from Sideritis stricta.|B-Ring-modified and/or 5-demethylated nobiletin congeners: inhibitory activity against pro-MMP-9 production.|Antiangiogenic activity of xanthomicrol and calycopterin, two polymethoxylated hydroxyflavones in both in vitro and ex vivo models.|Flavonoids from Sideritis Species: Human Monoamine Oxidase (hMAO) Inhibitory Activities, Molecular Docking Studies and Crystal Structure of Xanthomicrol. |
Xanthomicrol|16545-23-6|4',5-dihydroxy-6,7,8-trimethoxyflavone|UNII-3IN82Y8CAA|3IN82Y8CAA|CHEMBL476121|CHEBI:35047|5-Hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one|5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxychromen-4-one|4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-|NSC 79323|AC1L2JGB|AC1Q6AJ4|SCHEMBL6257160|ACon1_000922|CTK4D2076|DTXSID20167947|NSC79323|BDBM50412279|LMPK12111447|AKOS030525194|NCGC00169227-01|LS-193898|C14476|BRD-K34022850-001-01-8|5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-chromen-4-one|5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-4H-chromen-4-one|4H-1-Benzopyran-4-one,5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-| |
| Mesodihydroguaiaretic Acid |
natural product |
Myristica fragrans|Schisandra propinqua|Kadsura angustifolia|Piper murrayanum|Prunus ssiori|Esenbeckia nesiotica|Pancratium trianthum|Chaenorhinum origanifolium|Spatangus purpureus|Cephalonoplos segetum|Seseli montanum|Helipterum tenellum|Lachnoanaerobaculum saburreum|Lophozonia menziesii|Xanthostemon oppositifolius|Catalpa bignonioides|Andinobates fulguritus|Boenninghausenia japonica|Hyptis tomentosa|Ipomoea cristulata|Myristicae semen|Rhodotypos scandens|Sargentodoxae caulis|Murraya koenigii|Lens phaseoloides|Saururus chinensis|Schisandra chinensis|Machilus wangchiana|Cynthia savignyi|Schisandra glaucescens|Piper pedicellosum|Comaster multifida|Lecanora straminea|Suillus luteus|Machilus robusta|Veronica austriaca |
Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens | TAR DNA-binding protein 43 - Homo sapiens | Sphingomyelin phosphodiesterase - Homo sapiens | Alpha-synuclein - Homo sapiens | Geminin - Homo sapiens | Glucagon-like peptide 1 receptor - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | Ataxin-2 - Homo sapiens | Aberrant vpr protein - Human immunodeficiency virus 1 | Beta amyloid A4 protein - Homo sapiens | Lysine-specific demethylase 4A - Homo sapiens |Org= Bacillus subtilis | Human immunodeficiency virus 1 | Lolium multiflorum | Colletotrichum lagenarium | Alternaria alternata | Fusarium solani | Culex pipiens | Salmonella enterica |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Org=Bacillus subtilis | Human immunodeficiency virus 1 | Lolium multiflorum | Colletotrichum lagenarium | Alternaria alternata | Fusarium solani | Culex pipiens | Salmonella enterica |
3D viewer |
Pubchem |
|
476856 |
66322-34-7 |
CC(CC1=CC(=C(C=C1)O)OC)C(C)CC2=CC(=C(C=C2)O)OC |
ADFOLUXMYYCTRR-OKILXGFUSA-N |
330.18000 |
C20H26O4 |
-0.115 |
0 |
2 |
58.92 |
13.0 |
24 |
2 |
Hydrolysis of the 2',3'-allylic epoxides of allylbenzene, estragole, eugenol, and safrole by both microsomal and cytosolic epoxide hydrolases.|Anti-inflammatory activity of croconazole, a broad-spectrum antimycotic agent, in the arachidonic acid-induced mouse ear swelling test.|Aluminum induces lipid peroxidation and aggregation of human blood platelets.|Inhibition of fos-jun-DNA complex formation by dihydroguaiaretic acid and in vitro cytotoxic effects on cancer cells.|Meso-dihydroguaiaretic acid from Machilus thunbergii SIEB et ZUCC., and its effects on the expression of matrix metalloproteinase-2, 9 cause by ultraviolet irradiated cultured human keratinocyte cells (HaCaT).|Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
meso-dihydroguaiaretic acid|Dihydroguaiaretic acid|66322-34-7|UNII-S81Z40PSJ4|S81Z40PSJ4|CHEBI:68169|Phenol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis2-methoxy-, (R*,S*)-|Phenol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis(2-methoxy-, (R*,S*)-|Meso-Dihyroguaiareticacid|AC1L9VQV|AC1Q7ADL|Mesodihydroguaiaretic Acid|Guaiacol, 4,4'-(2,3-dimethyltetramethylene)di-, meso-|Dihydroguaiaretic acid, meso-|MLS002473306|SCHEMBL974725|4,4'-(2R,3S)-2,3-dimethylbutane-1,4-diylbis(2-methoxyphenol)|CHEMBL430464|CTK4H6503|Phenol, 4,4'-((2R,3S)-2,3-dimethyl-1,4-butanediyl)bis(2-methoxy-, rel-|HMS2202B04|ZINC15052537|4,4'-dihydroxy-3,3'-dimethoxylignan|AKOS028109653|4-(2r,3s)-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl-2-methoxyphenol|SMR001397390|Phenol,4,4'-(2,3-dimethyl-1,4-butanediyl)bis2-methoxy-|meso-1,4-Bis-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutane|REL-4,4'-((2R,3S)-2,3-dimethyl-1,4-butanediyl)bis(2-methoxyphenol)|4-(2r,3s)-3-(4-hydroxy-3-methoxyphenyl)methyl-2-methylbutyl-2-methoxyphenol|4-(2r,3s)-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl-2-met Hoxyphenol|4-(2S,3R)-4-(4-hydroxy-3-methoxy-phenyl)-2,3-dimethyl-butyl-2-methoxy-phenol|4-(2S,3R)-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl-2-methoxyphenol| |
| Tylophorinine |
natural product |
Pergularia pallida|Tylophora atrofolliculata|Tylophora asthmatica|Tylophora floribunda|Tylophora mollissima|Tylophora crebriflora|Tylophora ovata |
Proto-oncogene c-JUN - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Chronic Myelogenous Leukemia |
3D viewer |
Pubchem |
|
264751 |
571-70-0 |
COC1=CC2=C(C=C1)C3=C(CN4CCCC4C3O)C5=CC(=C(C=C52)OC)OC |
LAWAARLALKUFQQ-CVDCTZTESA-N |
379.18000 |
C23H25NO4 |
-1.2561 |
2 |
1 |
51.16 |
7.0 |
28 |
5 |
Inhibition of thymidylate synthase and cell growth by the phenanthroindolizidine alkaloids pergularinine and tylophorinidine.|Thymidylate synthase activity in leukocytes from patients with chronic myelocytic leukemia and acute lymphocytic leukemia and its inhibition by phenanthroindolizidine alkaloids pergularinine and tylophorinidine.|Inhibition of dihydrofolate reductase and cell growth activity by the phenanthroindolizidine alkaloids pergularinine and tylophorinidine: the in vitro cytotoxicity of these plant alkaloids and their potential as antimicrobial and anticancer agents. |
Pergularinine|TYLOPHORININE|CHEMBL398325|571-70-0|NSC100055|AC1L6CHR|(13as,14r)-3,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrodibenzof,hpyrrolo1,2-bisoquinolin-14-ol|AC1Q57Z0|CTK5A6391|Dibenzo(f,h)pyrrolo(1,2-b)isoquinolin-14-ol, 9,11,12,13,13a,14-hexahydro-3,6,7-trimethoxy-, (13aS-cis)-|BDBM50213934|NSC-100055|NCI60_000003|(13aS,14R)-3,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro9,10-findolizin-14-ol|Dibenzof,hpyrrolo1,2-bisoquinolin-14-ol,9,11,12,13,13a,14-hexahydro-3,6,7-trimethoxy-, (13aS,14R)-| |
| Genkwanin |
natural product |
Chromolaena odorata|Thelenota ananas|Acanthopanax spinosus|Euphorbia sancta|Swertiae mileensis herba|Ornithoglossum viride|Senecio viscosus|Limbarda crithmoides|Solanum aculeatissimum|Wikstroemiae indicae rasix|Leonurus sibiricus|Nauclea latifolia|Cheilanthes fragrans|Amaranthus hypochondriacus|Hydnocarpi anthelminticae semen|Herba artemisiae scopariae|Aquilaria sinensis|Dendrobates truncatus|Plumbago scandens|Amphilophis odorata|Artemisiae scopariae herba|Artemisia capillaris|Garcinia cambogia|Pteronia divaricata|Ginkgo biloba|Leonurus japonicus|Heterocentrotus mammillatus|Pogostemon cablin|Larrea tridentata|Salvia glutinosa|Sphaeranthus confertifolius|Procambarus clarkii|Flos genkwa|Larrea divaricata|Prunus pseudocerasus|Euphorbia myrsinites|Acrocarpia paniculata|Artemisia iwayomogi|Phlomis herba-venti subsp. pungens|Eupatorium hookerianum|Kunzea ericoides|Chrysanthemum indicum|Glycyrrhiza glabra|Petasites laevigatus|Gymnothorax javanicus|Chrysanthemum x morifolium|Cremastra appendiculata|Ormosia hosiei|Helicteres angustifolia|Eupatorium capillifolium|Daphne genkwa|Aplysia juliana|Fomes robiniae|Ostrya carpinifolia|Grindelia spathulata|Ilyonectria destructans|Acacia sutherlandii|Streptomyces cavourensis|Pertusaria truncata|Apis mellifera|Mentha arvensis|Eupatorium leucolepis|Rosmarinus officinalis|Asphodeline tenuior|Fadogia agrestis|Mentha canadensis|Corynebacterium ammoniagenes|Baccharis trimera|Thermopsis dolichocarpa|Pleione bulbocodioides|Dryopteris championii|Hippeastrum papilio|Diphasiastrum thyoides|Pleione yunnanensis|Ips confusus|Glycyrrhiza triphylla|Prunus serrulata var. spontanea|Hertia cheirifolia|Leonurus heterophyllus|Amaranthus hybr|Klyxum molle|Schizonepeta tenuifolia|Rubia tetragona|Phlomis pungens|Limnocharis flava|Stephania dielsiana|Schizonepeta tenuisfolia|Hygrophorus chrysodon|Artemisia capillaries|Vaccinium ashei|Aconitum variegatum|Berberis repens|Taraxacum borealisinense|Plagiomnium cuspidatum|Licaria chrysophylla|Daphne feddei|Taraxacum coreanum|Ptarmica ptarmicifolia|Cedrela salvadorensis|Clathria basilana|Taraxacum mongolicum|Acridocarpus vivy|Teucrium chamaedrys|Zanthoxylum fraxineum|Taraxacum officinale|lethedon tannaensis|Carica papaya|Polystichum spinulosum|Taraxacum platycarpum|Senecio madagascariensis|Glycine max|Pocillopora eydouxi|Stephanitis pyrioides|Croton laccifer|Polyporus dryadeus|Metzgeria pubescens|Dendrilla cavernosa|Sedum litoreum|Xylosma longifolia|Teucrium asiaticum|Anodendron affine|Schizanthus tricolor|Streptomyces coeruleorubidus|Arenaria kumaonensis|Pajanelia multijuga|Artemisia filifolia|Solidago spathulata|Vicia amurensis|Wyethia mollis|Berchemia formosana|Phlomoides rotata|Iris hoogiana|Millettia ferruginea|Bothriocline longipes|Menthae herba|Polypodium decumanum |
Sialidase 2 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Salivary alpha-amylase - Homo sapiens | Reverse transcriptase - Human immunodeficiency virus 1 | Cytochrome P450 1A1 - Homo sapiens |Org= Human immunodeficiency virus 1 | Plasmodium falciparum |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Non-small Cell Lung Cancer|Lewis Lung carcinoma |Org=Human immunodeficiency virus 1 | Plasmodium falciparum |
3D viewer |
Pubchem |
|
5281617 |
437-64-9 |
COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O |
JPMYFOBNRRGFNO-UHFFFAOYSA-N |
284.07000 |
C16H12O5 |
-1.476 |
1 |
2 |
75.99 |
5.0 |
21 |
3 |
Protein-tyrosine kinase inhibition: mechanism-based discovery of antitumor agents.|Evaluation of natural products as inhibitors of human immunodeficiency virus type 1 (HIV-1) reverse transcriptase.|Synthesis and evaluation of hydroxylated flavones and related compounds as potential inhibitors of the protein-tyrosine kinase p56lck.|Inhibition of Plasmodium falciparum fatty acid biosynthesis: evaluation of FabG, FabZ, and FabI as drug targets for flavonoids.|Prostaglandin inhibitory and antioxidant components of Cistus laurifolius, a Turkish medicinal plant.|Flavonoids for controlling starch digestion: structural requirements for inhibiting human alpha-amylase. |
Genkwanin|437-64-9|Gengkwanin|4',5-Dihydroxy-7-methoxyflavone|5,4'-Dihydroxy-7-methoxyflavone|7-O-Methylapigenin|7-Methylapigenin|Apigenin 7-methyl ether|Puddumetin|Gonkwanin|UNII-5K3I5D6B2B|5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one|4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-|5K3I5D6B2B|CHEMBL210635|CHEBI:75718|4'',5-dihydroxy-7-methoxyflavone|5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one|4H-1-Benzopyran-4-one,5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-|7-Methoxyapigenin|Henquanin|7'O-methyl-apigenin|ACMC-20amrz|AC1NQYQP|Apigenin-7-methylether|Spectrum_000330|apigenin-7-methyl ether|SpecPlus_000835|Spectrum2_001355|Spectrum3_001401|Spectrum4_001667|Spectrum5_000573|Apigenin 7-O-Methyl Ether|BSPBio_003042|KBioGR_002193|KBioSS_000810|DivK1c_006931|Genkwanin, analytical standard|SCHEMBL866123|SPBio_001569|4,5-Dihydroxy-7-methoxyflavone|Genkwanin, >=98% (HPLC)|CTK4I7720|KBio1_001875|KBio2_000810|KBio2_003378|KBio2_005946|KBio3_002262|DTXSID80195908|JPMYFOBNRRGFNO-UHFFFAOYSA-N|MolPort-003-665-822|4',5-dihydroxy-7-methoxy flavone|HY-N0731|ZINC5732375|4'',5-dihydroxy-7-methoxy flavone|BDBM50187658|CCG-38838|LMPK12111018|MFCD00017452|AKOS015896775|Flavone, 4',5-dihydroxy-7-methoxy-|MCULE-4718928065|NCGC00178332-01|4CN-1073|ST057642|DB-051163|TC-169190|CS-0009744|FT-0617186|N2092|W1623|4',5-Dihydroxy-7-methoxyflavone, AldrichCPR|C10046|C-57765|I07-0230|BRD-K29160894-001-02-9|5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromen-4-one|5-Hydroxy-2-(4-hydroxy-phenyl)-7-methoxy-chromen-4-one|5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one #| |
| n.a. |
natural product |
Trigonella foenum|Berkheya radula|Ranunculus bulbosus|Smilax china|Geranium sibiricum|Shorea maranti|Dioscoreae hypoglaucae rhizoma|Tephrosia odorata|Lycopodium paniculatum|Polygonati odorati rhizoma|Pteris marginata|Calocedrus macrolepis|Dioscoreae septemlo bae rhizoma|Cacospongia scalaris|Asparagi radix|Aplysina fulva|Anaptychia obscura|Lygodium pinnatifidum|Tephrosia bracteolata|Dioscorea parviflora|Carissa spinarum|Corethrodendron scoparium|Dioscorea collettii var. hypoglauca|Solanum dulcamara|Gentiana bellidifolia|Rhizoma dioscoreae hypoglaucae|Dioscorea gracillima|Sarcococca hookeriana|Brucea javanica|Croton megistocarpus|Dioscorea tokoro|Dioscorea collettii|Garcinia latissima|Trigonella foenum-graecum|Piper puberulum|Dioscorea septemloba|Taricha granulosa|Dioscorea hypoglauca|Paullinia pinnata|Mikania oblongifolia|Euphorbia wallichii|Daphniphyllum subverticillatum|Calonectria lauri|Subergorgia hicksoni|Baphicacanthus cusia|Buxus rolfei|Halimium umbellatum|Agaricus nebularis|Borassus flabellifer|Calophyllum lanigerum|Albizia schimperana|Reseda suffruticosa|Lupinus mutabilis|Solanum asperum|Canarium muelleri|Persea kusanoi|Sideritis condensata|Caloscypha fulgens|Podocarpus blumei|Solanum virginianum|Mollugo cerviana|Nicotiana alata|Adenium obesum|Pelea madagascarica|Aconitum forrestii|Alpinia mutica|Lagerstroemia indica|Hydrangea chinensis|Tapinoma nigerrimum|Neoboutonia glabrescens|Melicope semecarpifolia|Phellinus tremulae|Hypotrachyna quaesita|Microlepia marginata|Capsicum baccatum|Senecio isatideus|Parkia javanica|Fagopyrum cymosum|Marchantia polymorpha|Tribulifructus|Ageratina gilbertii|Genista lusitanica|Trigonellae semen|solanum violaceum|Dioscoreaebulbiferae|Salvia horminum|Selinum papyraceum|Calamus insignis|Herba solani lyrati |
Path=NFKB1 pathway|AKT1 pathway|BCL2 pathway|BIRC5 pathway|CCND1 pathway|CDK2 pathway|CDK4 pathway|STAT3 pathway|XIAP pathway|BCL2A1 pathway|BCL2L1 pathway|BIRC3 pathway|CFLAR pathway|MMP9 pathway|MYC pathway|PTGS2 pathway|TRAF1 pathway|VEGFA pathway| |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Multiple Myeloma|Multiple Myeloma |Non-Hodgkin's Lymphomas|Histiocytic Lymphoma |
3D viewer |
Pubchem |
|
441900 |
512-06-1 |
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1 |
WQLVFSAGQJTQCK-CAKNJAFZSA-N |
414.31000 |
C27H42O3 |
0.2771 |
3 |
1 |
38.69 |
5.0 |
30 |
6 |
A review on Balanites aegyptiaca Del (desert date): phytochemical constituents, traditional uses, and pharmacological activity. |
Yamogenin|512-06-1|(25S)-spirost-5-en-3beta-ol|UNII-M487OD4XW3|M487OD4XW3|CHEBI:10086|Neodiosgenin|Jamogenin|25-epi-Diosgenin|NSC 226132|Spirost-5-en-3-ol, (3beta,25S)-|AC1L9BVW|CHEMBL400807|SCHEMBL6040875|WQLVFSAGQJTQCK-CAKNJAFZSA-N|ZINC8234229|LMST01080045|AKOS025402417|AC-8895|(20A,22R,25S)-Spirosta-5-Ene-3ss-Ol|C08918|UNII-5E5W122QCR component WQLVFSAGQJTQCK-CAKNJAFZSA-N|(2R,5'S)-5'-tetramethylspiro?-2,2'-tetrahydropyranol| |
| Sandorinic Acid A |
natural product |
Sandoricum indicum |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia |
3D viewer |
Pubchem |
|
10323147 |
No Cas |
CC1(C2CCC3=C(C2(CCC1=O)C)CC(C4(C3(CCC5(C4(CC(CC5)(C)C(=O)O)O)C)C)C)O)C |
PLEQWDWYBBEGIT-ZTSHXWEVSA-N |
486.33000 |
C30H46O5 |
1.5098 |
5 |
3 |
94.83 |
11.0 |
35 |
5 |
|
|
| 2-Epi-Corosolic Acid |
natural product |
Prunus dulcis|Actinidia valvata|Crataegus pinnatifida|Actinidia chinensis planch |
Path=BAX pathway|CASP3 pathway|CASP8 pathway|CASP9 pathway|DYT10 pathway|Glycogen phosphorylase, muscle form - Oryctolagus cuniculus |
Dis=Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia |
3D viewer |
Pubchem |
|
24721200 |
2-epi-corosolic acid |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1C)C)C(=O)O |
HFGSQOYIOKBQOW-XOYVNYDSSA-N |
472.36000 |
C30H48O4 |
1.2611 |
4 |
3 |
77.76 |
11.0 |
34 |
5 |
Pentacyclic triterpenes. Part 5: synthesis and SAR study of corosolic acid derivatives as inhibitors of glycogen phosphorylases.|Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies.|Identification of pentacyclic triterpenes derivatives as potent inhibitors against glycogen phosphorylase based on 3D-QSAR studies. |
|
| (+)-Vesticarpan |
natural product |
Platymiscium floribundum|brazilian red propolis|Nepalese propolis|Lardoglyphus konoi|Lathyrus montanus|Podocarpus ustus |
|
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|ileocecal colorectal adenocarcinoma |Melanoma|Murine Melanoma |
3D viewer |
Pubchem |
|
44446857 |
No Cas |
COC1=C(C2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)O)O |
JAAWOQQDCOFLRV-IAQYHMDHSA-N |
286.08000 |
C16H14O5 |
-1.6255 |
0 |
2 |
68.15 |
4.0 |
21 |
4 |
|
|
| Monotiporic Acid B |
natural product |
Montipora digitata |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
177349 |
179600-05-6 |
C=CCCCCCCCC#CC#CCOCC(=O)O |
ODJULCBAODTNBX-UHFFFAOYSA-N |
262.16000 |
C16H22O3 |
0.1822 |
3 |
1 |
46.53 |
11.0 |
19 |
0 |
|
|
| Ergolide |
natural product |
Inula britannica|Inula hupehensis|Inula falconeri |
Path=BCL2 pathway|XIAP pathway|BAX pathway|CASP3 pathway|MAPK8 pathway|NFKB1 pathway|Cyclooxygenase-2 - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Cervical Cancer|Cervical Adenocarcinoma |
3D viewer |
Pubchem |
|
185786 |
54999-07-4 |
CC1CC2C(C(C3(C1CCC3=O)C)OC(=O)C)C(=C)C(=O)O2 |
JCDZXDWMCKMXFF-MMLVVLEOSA-N |
306.15000 |
C17H22O5 |
0.5862 |
5 |
0 |
69.67 |
5.0 |
22 |
3 |
Ergolide, sesquiterpene lactone from Inula britannica, inhibits inducible nitric oxide synthase and cyclo-oxygenase-2 expression in RAW 264.7 macrophages through the inactivation of NF-kappaB.|Pseudoguaianolides and guaianolides from Inula hupehensis as potential anti-inflammatory agents.|Sesquiterpene lactones from Inula falconeri, a plant endemic to the Himalayas, as potential anti-inflammatory agents. |
Ergolide|54999-07-4|CHEBI:69340|(3ar,4s,4ar,7as,8r,9as)-4a,8-dimethyl-3-methylidene-2,5-dioxododecahydroazuleno6,5-bfuran-4-yl acetate|Dihydrobigelovin|AC1L4HIS|AC1Q69UA|CHEMBL515974|CTK5A2893|(3aR)-(3aalpha,4alpha,4abeta,7aalpha,8alpha,9abeta)-4-(acetyloxy)decahydro-4a,8-dimethyl-3-methylene-azuleno(6,5-b)furan-2,5-dione|(3aS,5R,5aS,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno6,5-bfuran-9-yl acetate|Azuleno(6,5-b)furan-2,5-dione, 4-(acetyloxy)decahydro-4a,8-dimethyl-3-methylene-, (3aR-(3aalpha,4alpha,4abeta,7aalpha,8alpha,9abeta)|Azuleno6,5-bfuran-2,5-dione,4-(acetyloxy)decahydro-4a,8-dimethyl-3-methylene-, (3aR,4S,4aR,7aS,8R,9aS)-| |
| 1,6,6-Trimethyl-2,7,8,9-Tetrahydro-1H-Naphtho[1,2-G][1]Benzofuran-10,11-Dione |
natural product |
Salvia miltiorrhizae |Salvia digitaloides|Salvia flava|Salvia przewalskll|Salvia miltiorrhiza|Salvia bowleyana|Salvia yunnanensis|Salvia sinica|Salvia przewalskii|Salvia bulleyana|Salvia przewalskii var. mandarinorum|Veronicastrum sibiricum|Salvia prionitis|Salvia castanea|Salvia trijuga|Salvia sclarea |
Path=CASP3 pathway|CASP8 pathway|CASP9 pathway|PARP1 pathway|BAX pathway|N/A|CDKN1A pathway|CCNA1 pathway|CCNB1 pathway|CDC25C pathway|CDK1 pathway|CHEK1 pathway|CHEK2 pathway|LDHA pathway|TP53 pathway|MMP2 pathway|JUND pathway|NFKB1 pathway|AURKA pathway|BCL2 pathway|BID pathway|MAPK14 pathway|MAPK8 pathway|MTOR pathway|RPS6K pathway|XIAP pathway|MAPK1 pathway|AKT1 pathway|CCND1 pathway|RB1 pathway|CCNE1 pathway|CDK2 pathway|CDK4 pathway|Gen=STAT|Acetylcholinesterase - Homo sapiens | SARS coronavirus 3C-like proteinase - SARS coronavirus | Vitamin D receptor - Homo sapiens | Cholinesterase - Equus caballus | Microtubule-associated protein tau - Homo sapiens | Carboxylesterase 2 - Homo sapiens | Streptokinase A - Streptococcus pyogenes serotype M1 | ATPase family AAA domain-containing protein 5 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Geminin - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | DNA polymerase beta - Homo sapiens | Protein-tyrosine phosphatase 2C - Homo sapiens | DNA polymerase kappa - Homo sapiens | Signal transducer and activator of transcription 3 - Homo sapiens | Neuropeptide S receptor - Homo sapiens | Serine/threonine-protein kinase PLK1 - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Histone-lysine N-methyltransferase MLL - Homo sapiens | Protein-tyrosine phosphatase 1B - Homo sapiens | DNA polymerase eta - Homo sapiens | Receptor-type tyrosine-protein phosphatase F (LAR) - Homo sapiens | Protein-tyrosine phosphatase 1C - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | ATP-dependent DNA helicase Q1 - Homo sapiens | Leukocyte common antigen - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | Muscleblind-like protein 1 - Homo sapiens | Aldose reductase - Rattus norvegicus | P-glycoprotein 1 - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Acyl coenzyme A:cholesterol acyltransferase - Homo sapiens | T-cell protein-tyrosine phosphatase - Homo sapiens | Regulator of G-protein signaling 4 - Homo sapiens | Tyrosine-protein phosphatase non-receptor type 9 - Homo sapiens | Protease - Human immunodeficiency virus 1 | Telomerase reverse transcriptase - Homo sapiens | Papain - Carica papaya | Dengue virus type 2 NS3 protein - Dengue virus type 2 (strain Thailand/16681/1984) (DENV-2) |Org= Plasmodium falciparum | Streptococcus | Leishmania major | Streptococcus sp. 'group A'|Aldehyde dehydrogenase 1A1 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Cruzipain - Trypanosoma cruzi | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens |
Dis=Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Melanoma|Murine Melanoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Lung Epithelial Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Retinoblastoma|Gen=JAK/STAT |
3D viewer |
Pubchem |
|
496348 |
17545-07-2 |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
GVKKJJOMQCNPGB-UHFFFAOYSA-N |
296.14000 |
C19H20O3 |
0.0397 |
3 |
0 |
43.37 |
3.0 |
22 |
4 |
|
Cryptotanshinone|1,6,6-Trimethyl-1,2,6,7,8,9-hexahydrophenanthro1,2-bfuran-10,11-dione|Cryptotanshinon|17545-07-2|(-)-Cryptotanshinone|1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho1,2-g1benzofuran-10,11-dione|1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho1,2-gbenzofuran-10,11-dione|Cryototanshinone|NSC686518|(?)-Cryptotanshinone|AC1LAW3B|UPCMLD-DP042|Neuro_000424|MLS006011840|SCHEMBL4126834|CHEMBL1518673|UPCMLD-DP042:001|CTK8I3995|GVKKJJOMQCNPGB-UHFFFAOYSA-|GVKKJJOMQCNPGB-UHFFFAOYSA-N|Phenanthro1,2-bfuran-10,11-dione, 1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-, (R)-|HMS3655P20|BBL010026|STK801405|AKOS005612965|MCULE-8689433740|NCGC00095755-01|NCGC00095755-03|4CN-0930|BC678108|SMR004703500|A831217|I06-0439|I06-0645|1,6,6-Trimethyl-1,2,6,7,8,9-hexahydrophenanthro1,2-bfuran-10,11-dione-, (R)-|6,6,14-trimethyl-12-oxatetracyclo8.7.0.0;{2,7}.0;{11,15}heptadeca-1,7,9,11(15)-tetraene-16,17-dione|InChI=1/C19H20O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,10H,4-5,8-9H2,1-3H3| |
| Miltirone |
natural product |
Salvia miltiorrhizae |Stauntonia obovatifoliola|Viburnum sieboldi|Phallusia fumigata|Uvaria klaineana|Dioscorea communis|Notholaena dealbata|Vicia sativa|Artemisia siversiana|Amentotaxus yunnanensis|Camptothecium lutescens|Streptomyces lateritius|Salvia przewalskii|Radix salviae|Combretum indicum|Salvia miltiorrhiza|Pleurophycus gardneri|Deguelia hatschbachii|Delphinium cyphoplectrum|Cladonia bellidiflora|Ritterella rubra|Allochromatium minutissimum|Palmaria palmata|Rhabdia lycioides|Decachaeta ovatifolia|Hydrolithon reinboldii|Euphorbia retusa |
Acetylcholinesterase - Homo sapiens | Protease - Human immunodeficiency virus 1 | P-glycoprotein 1 - Homo sapiens | Dual specificity phosphatase Cdc25A - Homo sapiens | SARS coronavirus 3C-like proteinase - SARS coronavirus | Acyl coenzyme A:cholesterol acyltransferase - Homo sapiens | Carboxylesterase 2 - Homo sapiens | Papain - Carica papaya |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|multidrug-resistant CEM/ADR5002 leukemia |
3D viewer |
Pubchem |
|
160142 |
27210-57-7 |
CC(C)C1=CC2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O |
FEFAIBOZOKSLJR-UHFFFAOYSA-N |
282.16000 |
C19H22O2 |
1.0685 |
2 |
0 |
34.14 |
5.0 |
21 |
3 |
Synthesis of miltirone analogues as inhibitors of Cdc25 phosphatases.|Tanshinones as selective and slow-binding inhibitors for SARS-CoV cysteine proteases.|Modulation of esterified drug metabolism by tanshinones from Salvia miltiorrhiza ('Danshen').|Miltirone Induces G2/M Cell Cycle Arrest and Apoptosis in CCRF-CEM Acute Lymphoblastic Leukemia Cells.|Miltirone Is a Dual Inhibitor of P-Glycoprotein and Cell Growth in Doxorubicin-Resistant HepG2 Cells.|Miltirone exhibits antileukemic activity by ROS-mediated endoplasmic reticulum stress and mitochondrial dysfunction pathways. |
Miltirone|27210-57-7|Rosmariquinone|CHEMBL45830|CHEBI:34851|NSC639662|2-Isopropyl-8,8-dimethyl-5,6,7,8-tetrahydro-3,4-phenanthrenedione|3,4-Phenanthrenedione,5,6,7,8-tetrahydro-8,8-dimethyl-2-(1-methylethyl)-|Miltiron|2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenanthrene-3,4-dione|8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione|5,6,7,8-Tetrahydro-8,8-dimethyl-2-(1-methylethyl)-3,4-phenanthrenedione|AC1Q6N8T|AC1L4N45|SCHEMBL13568178|CTK4F9266|DTXSID20181683|FEFAIBOZOKSLJR-UHFFFAOYSA-N|MolPort-027-720-891|ZINC1537184|BDBM50009219|AKOS015909796|API0026123|NSC 639662|NSC-639662|CJ-24294|NCI60_013161|FT-0628947|Y0137|C13715|20-Nor-5,7,9,13-abietatetraene-11,12-dione|I14-31842|2-isopropyl-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione|5,6,7,8-Tetrahydro-2-isopropyl-8,8-dimethyl-3,4-phenanthraquinone|5,6,7,8-Tetrahydro-2-isopropyl-8,8-dimethyl-3,4-phenanthrenedione|3,4-Phenanthrenedione, 5,6,7,8-tetrahydro-8,8-dimethyl-2-(1-methylethyl)-|5,6,7,8-Tetrahydro-8,8-dimethyl-2-(1-methylethyl)-3,4-phenanthrenedione, 9CI|8,8-dimethyl-2-(propan-2-yl)-3,4,5,6,7,8-hexahydrophenanthrene-3,4-dione|miltirone;2-Isopropyl-8,8-dimethyl-5,6,7,8-tetrahydro-phenanthrene-3,4-dione| |
| (-)-Dihydroguaiareticacid |
natural product |
Myristica fragrans|Casuarina equisetifolia|Endiandra anthropophagorum|Saururus chinensis|Dolichos kilimandscharicus|Mollugo pentaphylla|Saururus cernuus|Tsuga sieboldii|Tuta absoluta|Lactarius blennius|Artemisia phaeolepis|Naucleopsis mello-barretoi|Paederia foetida|Sinularia erecta|Silene dioica|Laurencia dendroidea |
Carbonic anhydrase II - Homo sapiens | Carbonic anhydrase I - Homo sapiens | Glucocorticoid receptor - Homo sapiens | Carbonic anhydrase - Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast) | Carbonic anhydrase 2 - Cryptococcus neoformans var. grubii | Uncharacterized protein Rv1284/MT1322 - Mycobacterium tuberculosis | PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) - Mycobacterium tuberculosis |Org= Lolium multiflorum | Bacillus subtilis | Culex pipiens | Staphylococcus aureus | Alternaria alternata | Colletotrichum lagenarium | Fusarium solani | Salmonella enterica |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Org=Lolium multiflorum | Bacillus subtilis | Culex pipiens | Staphylococcus aureus | Alternaria alternata | Colletotrichum lagenarium | Fusarium solani | Salmonella enterica |
3D viewer |
Pubchem |
4PWK |
11602375 |
No Cas |
CC(CC1=CC(=C(C=C1)O)OC)C(C)CC2=CC(=C(C=C2)O)OC |
ADFOLUXMYYCTRR-ZIAGYGMSSA-N |
330.18000 |
C20H26O4 |
-0.115 |
0 |
2 |
58.92 |
13.0 |
24 |
2 |
Hydrolysis of the 2',3'-allylic epoxides of allylbenzene, estragole, eugenol, and safrole by both microsomal and cytosolic epoxide hydrolases.|Anti-inflammatory activity of croconazole, a broad-spectrum antimycotic agent, in the arachidonic acid-induced mouse ear swelling test.|Aluminum induces lipid peroxidation and aggregation of human blood platelets.|Inhibition of fos-jun-DNA complex formation by dihydroguaiaretic acid and in vitro cytotoxic effects on cancer cells.|Meso-dihydroguaiaretic acid from Machilus thunbergii SIEB et ZUCC., and its effects on the expression of matrix metalloproteinase-2, 9 cause by ultraviolet irradiated cultured human keratinocyte cells (HaCaT).|Inhibition of protein tyrosine phosphatase 1B by lignans from Myristica fragrans. |
(-)-dihydroguaiaretic acid|UNII-G8DW2Y2JBT|G8DW2Y2JBT|Dihydroguaiaretic acid|CHEMBL375927|124649-78-1|4,4'-(2r,3r)-2,3-Dimethylbutane-1,4-Diylbis(2-Methoxyphenol)|(+/-)-Dihydroguaiaretic acid|(-)-Dihydroguaiareticacid|Dihydroguaiaretic acid, (-)-|MolPort-039-052-435|ZINC1863457|BDBM50216276|UNII-5WX8O8A2DR component ADFOLUXMYYCTRR-ZIAGYGMSSA-N|4,4''-((2R,3R)-2,3-dimethylbutane-1,4-diyl)bis(2-methoxyphenol)|Phenol, 4,4'-((2R,3R)-2,3-dimethyl-1,4-butanediyl)bis(2-methoxy-|Phenol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis(2-methoxy-, (R-(R*,R*))-| |
| N-Demethylholacurtine |
natural product |
Holarrhena curtisii |
Org=Leishmania donovani |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Org=Leishmania donovani |
3D viewer |
Pubchem |
|
9982489 |
No Cas |
CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C(=O)C)O)C)C)OC)N |
XNPZZOKPHOMJPJ-KLVKTECBSA-N |
477.35000 |
C28H47NO5 |
-1.2915 |
6 |
2 |
91.01 |
11.0 |
34 |
5 |
|
|
| 16-Oxosarcoglaucol Acetate |
natural product |
Sarcophyton glaucum |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Colorectal Cancer|Colorectal Adenocarcinoma|Melanoma|malignant melanoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
11384096 |
No Cas |
CC1=CC2C(=C(C(=O)O2)C)CC(C(=CCCC(=CCC1)C(=O)OC)C)OC(=O)C |
JQCWXJKSJTVECI-ZODXQVSFSA-N |
402.20000 |
C23H30O6 |
3.2557 |
6 |
0 |
78.90 |
9.0 |
29 |
2 |
|
|
| Cis-Resveratrol |
natural product |
Vitis vinifera|Polygonum cuspidatum|Veratrum grandiflorum|Eucalyptus wandoo|Sinularia depressa|Daemonorops draco|Semen phaseoli|Picea glehnii|Rumex maritimus|Dryopteris crassirhizoma|Pleuropterus ciliinervis|Veratrum nigrum var. ussuriense|Gnetum latifolium|Hedysarum connatum|Humulus lupulus|Pseudoalteromonas luteoviolacea|Cassia dentata|Trifolium dubium|Sphaerella laricina|Hypericum laricifolium|Morus alba|Testa arachidis hypogaeae|Artemisia assoana|Adansonia grandidieri|Oroxylum indicum|Caragana tibetica|Aconitum seravschanicum|Dumortiera hirsuta|Ampelopsis glandulosa var. brevipedunculata|Rheum wittrocki|Senecio subdentatus|Streptomyces avermitilis|Fallopia multiflora|Arachis hypogaea|Drechslera avenae|Swertia franchetiana|Bassia muricata|Rheum coreanum|Cudrania javanensis|Sabina sargentii|Adiantum lunulatum|Rheum officinale|Nasutitermes ephratae|Bishovia boliviensis|Rheum palmatum|Vitis spp.|Acacia adunca|Chaenomeles sinensis|Rheum tanguticum|Veratrum album|Vatica rassak|Onobrychis arenaria|Caragana aurantiaca|Rubia cordifolia|Annona cornifolia|Eucalyptus melliodora|Smilax china|Broussonetia papyrifera|Vitis spp|Peltostigma guatemalense|Marrubium anisodon|Lavandula vera|Smilax glabra|Rauvolfia vomitoria|Biancaea decapetala|Ampelopsis brevipedunculata|Wikstroemia retusa|Cotyledon secunda|Vigna angularis|Enceliopsis argophylla|Caesalpinia decapetala|Pastinaca sativa|Calostephane divaricata|Vigna umbellata|Anacystis montana|Polygonum multiflorum|Naucleopsis ternstroemiiflora|Salvia syriaca|Vigna umbeuata|Laurencia spectabilis|Dictyopteris australis|Cytophaga hutchinsoni|Asterospicularia laurae|Scutellaria amoena|Eria mollis|Solanum laxum|Artocarpus dadah|Lepisorus ussuriensis|Amathia pinnata|Gnetum parvifolium|Alstonia spathulata|Gadus morhua callarias|Miliusa velutina|Phoebe pittieri|Aphyllocladus denticulatus|Eriocheir sinensis|Epichloe festucae var. lolii|Blastochloris viridis|Astragalus sempervirens|Dendriopoterium menendezii|Physalis alkekengi|Psychotria stachyoides|Olibanun|Premna odorata|Goniothalamus malayanus|Rivularia firma|Boehmeriae rhizoma et radix|Pinus sibirica|Justicia secunda|Aster sedifolius|Leathesia nana|Polygoni cuspidati rhizoma et radix|Ipomoea digitata|Neobalanocarpus heimii|Isaria fumosorosea|Zanthoxylum tetraspermum|Ampelopsis japonica|Aconitum tasiromontanum|Viguiera incana|Dodonaea viscosa|Smilax menispermoidea|Flacourtia jangomas|Dysoxylum cumingianum|Belamcandae rhizome|Radix cudraniae|Teucrium yemense|Helipterum roseum|Mori fructus|Lysimachia mauritiana|Rattus rattus|Iris domestica|Caulocystis cephalornithos|Vaccinium oxycoccos|Caragana sinica |
Gen=Autophagy|NAD(P)H dehydrogenase [quinone] 1 - Mus musculus | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Survival motor neuron protein - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Cytochrome P450 1A2 - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Cytochrome P450 2C19 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Pyruvate kinase - Leishmania mexicana | Lysine-specific demethylase 4D-like - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Prelamin-A/C - Homo sapiens | Cytochrome P450 19A1 - Homo sapiens | Monoamine oxidase B - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Histone acetyltransferase GCN5 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens |Org= Plasmodium falciparum |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Non-Melanoma Skin Cancers|Fibroblast|Non-small Cell Lung Cancer|Lewis Lung carcinoma |Gen=Autophagy |
3D viewer |
Pubchem |
4JAZ 1DVS 4QOH 4QOJ |
1548910 |
61434-67-1 |
C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O |
LUKBXSAWLPMMSZ-UPHRSURJSA-N |
228.08000 |
C14H12O3 |
-0.9131 |
0 |
3 |
60.69 |
5.0 |
17 |
2 |
The red wine phenolics trans-resveratrol and quercetin block human platelet aggregation and eicosanoid synthesis: implications for protection against coronary heart disease.|Kinase inhibitors from Polygonum cuspidatum.|Resveratrol content of some wines obtained from dried Valpolicella grapes: Recioto and Amarone.|Resveratrol promotes atherosclerosis in hypercholesterolemic rabbits.|Wines and grape juices as modulators of platelet aggregation in healthy human subjects.|Vasorelaxing activity of resveratrol and quercetin in isolated rat aorta. |
cis-resveratrol|(Z)-resveratrol|61434-67-1|Cis resveratrol|UNII-AUA0K06FSB|cis-3,4',5-trihydroxystilbene|AUA0K06FSB|5-(Z)-2-(4-hydroxyphenyl)vinylbenzene-1,3-diol|CHEMBL87333|CHEBI:36002|5-(Z)-2-(4-hydroxyphenyl)ethenylbenzene-1,3-diol|5-(1Z)-2-(4-hydroxyphenyl)ethenylbenzene-1,3-diol|Resveratrol, (Z)-|1,3-Benzenediol, 5-((1Z)-2-(4-hydroxyphenyl)ethenyl)-|Resveratrol (Z)-form MI|Z-Resveratrol|Resveratrol, Z-|NCGC00015894-02|CAS-501-36-0|Tocris-1418|AC1LU7HY|Lopac-R-5010|cis-3,4,5-Trihydroxystilbene|SCHEMBL1931746|cis-3,5,4'-trihydroxystilbene|LUKBXSAWLPMMSZ-UPHRSURJSA-|(Z)-3,4',5-trihydroxystilbene|(Z)-3,5,4'-trihydroxystilbene|4q93|MolPort-003-850-143|TNP00294|1684AH|BDBM50131698|ZINC12353732|AKOS025395422|NCGC00015894-01|NCGC00017352-01|NCGC00017352-02|NCGC00017352-03|NCGC00017352-04|NCGC00024003-02|AC-24235|CJ-13797|DB-072954|434C671|I14-7425|Z-5-2-(4-Hydroxyphenyl)ethenyl-1,3-benzenediol|cis-5-2-(4-Hydroxyphenyl)ethenylbenzene-1,3-diol|05F9DB2A-D7E6-4063-8E5B-F7842CF74A5E|5-(1Z)-2-(4-Hydroxyphenyl)ethenyl-1,3-benzenediol|InChI=1/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1-| |
| Capillolide |
natural product |
Sinularia capillosa|Sinularia flexibilis|Sinularia microclavata |
|
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
11792322 |
No Cas |
CC1=CCCC(C(CC2CCC(C(CC1)O)(OC(=O)C2=C)C)O)(C)O |
JLCJNFREUBTKDT-WRHAGOLESA-N |
352.22000 |
C20H32O5 |
0.9088 |
5 |
3 |
86.99 |
6.0 |
25 |
2 |
|
|
| Xanthohumol |
natural product |
Humulus lupulus|Abelia chinensis|Hoffmannia strigillosa|Artemisia dentata|Vellozia nanuzae|Faramea salicifolia|Dendronephthya griffini|Piper regnellii|Buddleja cordata|Prorocentrum micans|Gymnocalycium schickendantzii|Rapanea lancifolia|Theonella conica|Lythrum salicaria|Syncarpia hillii|Centaurea maculosa|Latrunculia magnifica|Rhinella marina|Asimina parviflora|Helichrysum tenuifolium|Morella rubra|Lemaireocereus griseus|Ephedra sinica|Syzygium polycephaloides|Erysimum leptophyllum|Pteridium esculentum|Myxococcus stipitatus|Onopordum acanthium|Atalantia racemosa|Sophora flavescens|Lemaireocereus longispinus|Baccharis neglecta|Millettia erythrocalyx|Atraphaxis spinosa|Xenoacremonium recifei|Aplophyllum alberti-regelii|Negombata magnifica|Cordia leucocephala|Conus mus|Dolabella californica|Scorzonera pseudodivaricata|Buphane fischeri|Crambe tatarica|Simarouba glauca|Monsonia senegalensis|Shigella dysenteriae|Embelia schimperi|Alkanna cappadocica|Clerodendrum bungei|Diospyros eriantha|Plathymenia reticulata|Chondrodendron tomentosum|Lycogala epidendrum|Epilobium hirsutum|Haplophyllum obtusifolium|Ononis vaginalis|Hypericum styphelioides|Eria anomala|Tricholoma columbetta|Pteris semipinnata|Euphorbia nematocypha|Embelia parviflora|Pancratium sickenbergeri|Juniperus rigida var. conferta|Fritillaria ningguoensis|Erythrina melanacantha|Vernonia fagifolia|Esenbeckia leiocarpa|Siphonaria capensis|Planchonia grandis|Diospyros assimilis|Salvia hispanica|Mycobacterium leprae |
Path=IL6 pathway|ALPL pathway|PSEN2 pathway|VWF pathway|MKI67 pathway|BAX pathway|BCL2 pathway|BCL2L1 pathway|PARP1 pathway|CASP3 pathway|CASP7 pathway|CASP8 pathway|CASP9 pathway|Gen=COX|Protein kinase C alpha - Homo sapiens | Arachidonate 5-lipoxygenase - Homo sapiens | Prostaglandin E synthase - Homo sapiens | Lymphocyte antigen 96 - Homo sapiens | 3-phosphoinositide dependent protein kinase-1 - Homo sapiens |Org= Human immunodeficiency virus 1 | Plasmodium falciparum |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Bone Cancer|Osteosarcoma|Breast Cancer|Breast Adenocarcinoma|Ductal Adenocarcinoma|Central Nervous System Cancers|Neruoblastoma|Neuroblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Soft Tissue Sarcoma|Sarcoma|Gen=Metabolism |
3D viewer |
Pubchem |
|
639665 |
569-83-5 |
CC(=CCC1=C(C=C(C(=C1O)C(=O)C=CC2=CC=C(C=C2)O)OC)O)C |
ORXQGKIUCDPEAJ-YRNVUSSQSA-N |
354.15000 |
C21H22O5 |
0.542 |
1 |
3 |
86.99 |
12.0 |
26 |
2 |
Bone resorption inhibitors from hop extract.|Xanthohumols, diacylglycerol acyltransferase inhibitors, from Humulus lupulus.|In vitro inhibition of human P450 enzymes by prenylated flavonoids from hops, Humulus lupulus.|Influence of prenylated and non-prenylated flavonoids on liver microsomal lipid peroxidation and oxidative injury in rat hepatocytes.|Cancer chemopreventive activity of Xanthohumol, a natural product derived from hop.|Formation and accumulation of alpha-acids, beta-acids, desmethylxanthohumol, and xanthohumol during flowering of hops (Humulus lupulus L.). |
Xanthohumol|6754-58-1|1-(2,4-Dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one|569-83-5|UNII-T4467YT1NT|T4467YT1NT|CHEBI:66331|Xanthohumol(Random Configuration)|2',4,4'-trihydroxy-6'-methoxy-3'-prenylchalcone|1-(2,4-Dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl)-3-(4-hydroxyphenyl)-2-propen-1-one|AK115144|(2E)-1-2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl-3-(4-hydroxyphenyl)prop-2-en-1-one|(E)-1-2,4-Dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl-3-(4-hydroxyphenyl)propenone|(E)-1-2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl-3-(4-hydroxyphenyl)prop-2-en-1-one|Xanthohumol from hop (Humulus lupulus)|(E)-1-(2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one|XANTHOHUMO|AC1LCYZZ|2',4,4'-Trihydroxy-3'-prenyl-6'-methoxychalcone|SCHEMBL143683|CHEMBL253896|MEGxp0_000104|ACon1_001634|CHEBI:94745|MolPort-001-740-284|ORXQGKIUCDPEAJ-YRNVUSSQSA-N|BCP18498|ZINC5158937|0397AC|BDBM50384998|LMPK12120294|s7889|AKOS016010098|MCULE-7307777782|SMP2_000278|NCGC00180304-01|4CN-1588|AJ-53362|SC-11144|AX8156629|4CH-024627|ST24037018|W2672|C16417|BRD-K77390737-001-01-6|Xanthohumol, primary pharmaceutical reference standard|Xanthohumol from hop (Humulus lupulus), >=96% (HPLC)|(2e)-1-2,4-dihydroxy-6-methoxy-3-(3-methyl-2-buten-1-yl)phenyl- 3-(4-hydroxyphenyl)-2-propen-1-one|(2E)-1-2,4-Dihydroxy-6-methoxy-3-(3-methyl-2-buten-1-yl)phenyl-3-(4-hydroxyphenyl)-2-propen-1-one|2 inverted exclamation marka,4,4 inverted exclamation marka-Trihydroxy-6 inverted exclamation marka-methoxy-3 inverted exclamation marka-prenylchalcone|2-Propen-1-one, 1-(2,4-hydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl)-3-(4-hydroxyphenyl)-, (E)-|InChI=1/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7| |
| Oct-1-En-3-Ol |
natural product |
Satureja hortensis|Thymus vulgaris|Conocephalum conicum|Lentinus edodes|Lentinula edodes|Laminaria japonica|Elsholtzia ciliata|Armillaria matsutake|Schizonepeta tenuifolia|Agaricus bisporus|Streptomyces griseus griseus|Tricholoma matsutake|Artemisia annua|Hericium erinaceus|Artemisia apiacea|Saccharina japonica|Artemisia argyi|Boenninghausenia albiflora|Artemisia capillaris|Artemisia montana|Artemisia princeps|Capsicum annuum|Senna alexandrina|Crocus sativus|Foeniculum vulgare|Ganoderma lucidum|Ganoderma sinense|Lobelia chinensis|Lycium barbarum|Lycium chinense|Lycopus lucidus|Mosla chinensis|Panax ginseng|Perilla frutescens|Phyllanthus emblica|Pinellia ternata|Schizonepeta tenuisfolia|Homo sapiens|Scutellaria barbata|Thymus quinquecostatus |
|
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia |
3D viewer |
Pubchem |
1G85 1HN2 |
18827 |
3391-86-4 |
CCCCCC(C=C)O |
VSMOENVRRABVKN-UHFFFAOYSA-N |
128.12000 |
C8H16O |
-0.9039 |
1 |
1 |
20.23 |
7.0 |
9 |
0 |
The field response of Sri Lankan sandflies & mosquitoes to synthetic cattle-derived attractants.|A trial to control the tsetse fly, Glossina morsitans centralis, with low densities of odour-baited targets in west Zambia.|The response of Culex quinquefasciatus (Diptera: culicidae) to traps baited with carbon dioxide, 1-octen-3-ol, acetone, butyric acid and human foot odour in Tanzania.|The insect attractant 1-octen-3-ol is the natural ligand of bovine odorant-binding protein.|Evaluation of 1-octen-3-ol, carbon dioxide, and light as attractants for mosquitoes associated with two distinct habitats in North Carolina.|Composition and adult activity of salt-marsh mosquitoes attracted to 1-octen-3-ol, carbon dioxide, and light in Topsail Island, North Carolina. |
1-OCTEN-3-OL|3391-86-4|Oct-1-en-3-ol|3-Hydroxy-1-octene|Amyl vinyl carbinol|Vinyl amyl carbinol|1-Vinylhexanol|Matsutake alcohol|Pentyl vinyl carbinol|Matsuica alcohol|Mushroom alcohol|Octen-3-ol|Vinyl hexanol|Oct-1-ene-3-ol|Amylvinylcarbinol|Pentylvinylcarbinol|octene-1-ol-3|1-Okten-3-ol|1-Okten-3-ol Czech|1-Octen-3-ol (natural)|NSC 87563|Matsutake alcohol Japanese|FEMA No. 2805|1-Octene-3-ol|EINECS 222-226-0|EPA Pesticide Chemical Code 069037|BRN 1744110|1-Octen-3-ol, 98%|AI3-28627|CHEBI:34118|VSMOENVRRABVKN-UHFFFAOYSA-N|MFCD00004589|n-Oct-1-en-3-ol|Morillol|CCRIS 8804|Matsuika alcohol|Vinyl pentyl carbinol|ACMC-20apfw|n-Amyl vinyl carbinol|1 -Octen-3-ol|1 Octen 3 OL|Nat. 1-Octen-3-ol|AC1L2CVX|ACMC-1CNY7|Flowtron mosquito attractant|DSSTox_CID_15214|DSSTox_RID_79250|DSSTox_GSID_35214|SCHEMBL41968|KSC223I9P|(+/-)-1-octen-3-ol|WLN: QY5&1U1|Jsp006175|CHEMBL3183573|DTXSID3035214|CTK1C3497|MolPort-001-782-881|1-Octen-3-ol, analytical standard|ACT05316|BCP19092|KS-000008YB|NSC87563|Tox21_302039|ANW-27735|LMFA05000090|LMFA05000712|NSC-87563|AKOS009157412|DS-8600|LS-3002|RTC-020285|TRA0097596|NCGC00255686-01|1-Octen-3-ol, >=98%, FCC, FG|1-Octen-3-ol, natural, >=95%, FG|AK164470|AN-18986|SC-18002|CAS-3391-86-4|DB-003193|TC-020285|FT-0608181|O0159|C14272|1-OCTEN-3-OL, (AMYL VINYL CARBINOL) FCC|I14-1157|I14-1194|Q-100412|50999-79-6| |
| Delphinidin Chloride |
natural product |
Vaccinium myrtillus|Punica granatum|Abutilon theophrasti|Vitex negundo |
Path=AR pathway|PSA pathway|N/A|Glyoxalase I - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Prostate Cancer|Prostate Adenocarcinoma |
3D viewer |
Pubchem |
|
68245 |
528-53-0 |
C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O.[Cl-] |
FFNDMZIBVDSQFI-UHFFFAOYSA-N |
303.05000 |
C15H10O7.ClH |
-3.0956 |
1 |
6 |
124.21 |
7.0 |
22 |
3 |
Inhibitory effect of delphinidin from Solanum melongena on human fibrosarcoma HT-1080 invasiveness in vitro.|Effects of prodelphinidins isolated from Ribes nigrum on chondrocyte metabolism and COX activity.|Antioxidant activity of anthocyanins and their aglycons.|Delphinidin inhibits endothelial cell proliferation and cell cycle progression through a transient activation of ERK-1/-2.|Delphinidin, an active compound of red wine, inhibits endothelial cell apoptosis via nitric oxide pathway and regulation of calcium homeostasis.|Involvement of cyclin-dependent pathway in the inhibitory effect of delphinidin on angiogenesis. |
Delphinidin chloride|Delphinidin|528-53-0|Delphinidine|Delphinidol|Ephdine|Delfinidol chloride|UNII-EM6MD4AEHE|CCRIS 2518|IdB 1056|EM6MD4AEHE|EINECS 208-437-0|CHEBI:38701|3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)benzopyrylium chloride|1-Benzopyrylium, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride|3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium chloride|8012-95-1|Paraffin, liquid, pure|3,3',4',5,5',7-Hexahydroxyflavylium chloride|2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol chloride|3,3',4',5,5',7-Hexahydroxy-2-phenylbenzopyrylium chloride|3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium chloride|CHEMBL590878|Delphinidin chloride, analytical standard|C15H11O7.Cl|2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol|2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3,5,7-triol|DELPHINIDINE HCI|AC1Q1SP7|Paraffin, liquid, technical|SCHEMBL22369|AC1L29C7|IdB-1056|MolPort-003-932-836|13270-61-6 (Parent)|BCP15819|6267AF|MFCD00016663|AKOS027326494|API0002243|AN-16752|LS-40161|FT-0645153|FT-0665679|3,3',4',5,5',7-Hexahydroxyflavyliumchloride|Flavylium 3,3',4',5,5',7-hexahydroxy-, chloride|Flavylium 3,3',4',5,5',7-hexahydroxy-, chloride (8CI)|UNII-R911H793SU component FFNDMZIBVDSQFI-UHFFFAOYSA-N|1-benzopyranium, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride|3,5,7-Trihydroxy-2-(3,4,5-trihydroxy-phenyl)-chromenylium chloride|3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-1lambda-chromen-1-ylium| |
| (8S,9R,10R,13S,14R,17E)-17-Ethylidene-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15-Decahydrocyclopenta[A]Phenanthrene-3,16-Dione |
natural product |
Commiphora wightii|Baptisia minor|Achromobacter piechaudii|Eucalyptus microcorys|Streptomyces sahachiroi|Eupatorium inulifolium |
Path=CCND1 pathway|CDC2 pathway|MAPK8 pathway|MYC pathway|PTGS2 pathway|CASP3 pathway|CASP9 pathway|CDKN1A pathway|IFI27 pathway|BCL2 pathway|BCL2A1 pathway|BIRC3 pathway|BIRC5 pathway|CFLAR pathway|CHUK pathway|MAP3K14 pathway|MMP9 pathway|NFKB1 pathway|TNF pathway|TRADD pathway|TRAF1 pathway|TRAF2 pathway|VEGFA pathway|XIAP pathway|BAK1 pathway|BCL2L1 pathway|BAX pathway|CASP8 pathway|Gen=lipoprotein disorders|Bile acid receptor FXR - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Glucocorticoid receptor - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Survival motor neuron protein - Homo sapiens | Mineralocorticoid receptor - Homo sapiens | Pregnane X receptor - Homo sapiens | Progesterone receptor - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Androgen Receptor - Homo sapiens | Nuclear receptor ROR-gamma - Homo sapiens | Phospholipase A2 group 1B - Homo sapiens | Retinoid X receptor alpha - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens |Org= Plasmodium falciparum|Microtubule-associated protein tau - Homo sapiens | Vitamin D receptor - Homo sapiens |
Dis=Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Head and Neck Cancers|head and neck squamous cell carcinoma|head andneckprimary keratinocytes|Oral Squamous Cell Carcinoma|Kidney Cancer|human embryonic kidney contains adenovirus|Melanoma|malignant melanoma|Multiple Myeloma|Multiple Myeloma |Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Normal bronchial epithelial|Ovarian Cancer|Epithelial Ovarian Cancer |Prostate Cancer|Prostate Adenocarcinoma| |
3D viewer |
Pubchem |
|
16759145 |
No Cas |
CC=C1C(=O)CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C |
WDXRGPWQVHZTQJ-DWPFYVIESA-N |
312.21000 |
C21H28O2 |
1.2873 |
2 |
0 |
34.14 |
3.0 |
23 |
4 |
|
|
| (3S,3As,5Ar,9R,9As,9Bs)-9-Hydroxy-3,5A,9-Trimethyl-3,3A,4,5,9A,9B-Hexahydrobenzo[G][1]Benzofuran-2,6-Dione |
natural product |
Saussurea lappa|Artemisia taurica|Panax ginseng|Artemisia vulgaris|Tamarindus indica|Eucommia ulmoides|Ziziphus jujuba|Cornus officinalis|Artemisia ludoviciana|Hippophae rhamnoides|Jujubae fructus|Folium artemisiae argyi|Eucommiae cortex |
Path=TNF pathway|ATPase family AAA domain-containing protein 5 - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Geminin - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis |Org= Plasmodium falciparum |
Dis=Acute Lymphoblastic Leukemia|Abelson murine leukemia virus-induced tumor|Org=Plasmodium falciparum |
3D viewer |
Pubchem |
|
94253 |
No Cas |
CC1C2CCC3(C(C2OC1=O)C(C=CC3=O)(C)O)C |
NGPDZEACIWDCKX-WUDKWMPASA-N |
264.14000 |
C15H20O4 |
0.1947 |
4 |
1 |
63.60 |
4.0 |
19 |
3 |
Microsphere-based protease assays and screening application for lethal factor and factor Xa.|High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.|Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
Vulgarin|Barrelin|Judaicin|Tauremisin|Tauremizin|Judaicin (eudesmane naphthofuran)|Judaicin (sesquiterpene)|CHEBI:10024|3162-56-9|3a,5,5a,9,9a,9b-Hexahydro-9-hydroxy-3,5a,9-trimethylnaphtho(1,2-b)furan-2,6(3H,4H)-dione|Eudesm-2-en-12-oic acid, 4,6-alpha-dihydroxy-1-oxo-, gamma-lactone, (11S)-|(3aS,5aR,9R,9aS,9bS)-9-hydroxy-3,5a,9-trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho1,2-bfuran-2,6(3H,4H)-dione|Naphtho(1,2-b)furan-2,6(3H,4H)-dione, 3a,5,5a,9,9a,9b-hexahydro-9-hydroxy-3,5a,9-trimethyl-, (3S,3aS,5aR,9R,9aS,9bS)-|Naphtho(1,2-b)furan-2,6(3H,4H)-dione, 3a,5,5a,9,9a,9b-hexahydro-9-hydroxy-3,5a,9-trimethyl-, (3S-(3alpha,3aalpha,5abeta,9alpha,9aalpha,9bbeta))-|SMR000445685|(3s,3as,5ar,9r,9as,9bs)-9-hydroxy-3,5a,9-trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho1,2-bfuran-2,6(3h,4h)-dione|AC1L3RU8|MLS000728573|MLS001185447|CHEMBL1422618|CTK8E0358|MolPort-002-507-199|HMS2225C10|ZINC3881676|BBL034028|STK013739|AKOS001483019|Vulgarin, >=90% (LC/MS-ELSD)|MCULE-3300544479|MCULE-9439093573|NCGC00247310-01|NCGC00247310-02|NCGC00247310-03|LS-68583|C09600|(3S,3aS,5aR,9R,9aS,9bS)-9-hydroxy-3,5a,9-trimethyl-3,3a,4,5,9a,9b-hexahydrobenzog1benzofuran-2,6-dione|(3S,3aS,5aR,9R,9aS,9bS)-9-hydroxy-3,5a,9-trimethyl-3a,4,5,5a,9,9a-hexahydronaphtho1,2-bfuran-2,6(3H,9bH)-dione|1351-48-0|17237-80-8|34319-09-0|5091-07-6|NCGC00247310-03_C15H20O4_(3S,3aS,5aR,9R,9aS,9bS)-9-Hydroxy-3,5a,9-trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho1,2-bfuran-2,6(3H,4H)-dione| |
| Rosthorin A |
natural product |
Rabdosia rubescens|Isodon xerophilus|Isodon rosthornii |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma |
3D viewer |
Pubchem |
|
44445757 |
No Cas |
CC1(CCCC23C1C(C(C45C2C(CC(C4O)C(=C)C5=O)O)(OC3)O)O)C |
AOUAZUQTHDBROH-BAFGBBEMSA-N |
364.19000 |
C20H28O6 |
-2.1677 |
6 |
4 |
107.22 |
6.0 |
26 |
3 |
|
|
| 2'-Episilvestrol |
natural product |
Aglaia silvestris|Aglaia foveolata| |
Path=CCNA2 pathway|TP53 pathway|ATF1 pathway|ATF2 pathway|ATF3 pathway|ATF5 pathway|BAK1 pathway|BCL2L1 pathway|CASP10 pathway|CASP2 pathway|CASP4 pathway|CASP9 pathway|CDKN1A pathway|E2F1 pathway|E2F2 pathway|EP300 pathway|GADD45B pathway|GAS1 pathway| |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Breast Cancer|Ductal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Prostate Cancer|Prostate Adenocarcinoma|Breast Cancer |
3D viewer |
Pubchem |
|
11467934 |
697235-39-5 |
COC1C(OC(CO1)C(CO)O)OC2=CC(=C3C(=C2)OC4(C3(C(C(C4C5=CC=CC=C5)C(=O)OC)O)O)C6=CC=C(C=C6)OC)OC |
GVKXFVCXBFGBCD-JRPGFILLSA-N |
654.23000 |
C34H38O13 |
-3.3108 |
9 |
4 |
171.83 |
19.0 |
47 |
6 |
Total synthesis of 2''',5'''-diepisilvestrol and its C1''' epimer: key structure activity relationships at C1''' and C2'''.|Synthesis of biotinylated episilvestrol: highly selective targeting of the translation factors eIF4AI/II.|Simplified silvestrol analogues with potent cytotoxic activity.|Co-targeting translation and proteasome rapidly kills colon cancer cells with mutant RAS/RAF via ER stress. |
Episilvestrol|697235-39-5|CHEBI:66485|epi-silvestrol|2''-Episilvestrol|5'''-episilvestrol|CHEMBL1651036|DTXSID80466766|AKOS030526881|CS-0743|HY-15359|W-6077|methyl (1R,2R,3S,3aR,8bS)-6-({(2S,3R,6R)-6-(1S)-1,2-dihydroxyethyl-3-methoxy-1,4-dioxan-2-yl}oxy)-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3,3a,8b-tetrahydro-1H-benzobcyclopentadfuran-2-carboxylate| |
| n.a. |
natural product |
Physalis angulata |
|
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|ileocecal colorectal adenocarcinoma |Melanoma|Murine Melanoma|Soft Tissue Sarcoma|Mouse sarcoma |
3D viewer |
Pubchem |
|
431071 |
54980-22-2 |
CC12CC3C4(C56C1C(=O)C(O5)(C7CC(C8(CC=CC(=O)C8(C7CCC6(C(=O)O4)O)C)O)O)OCC2C(=O)O3)C |
DUGJJSWZRHBJJK-UHFFFAOYSA-N |
544.19000 |
C28H32O11 |
-2.0009 |
11 |
3 |
165.89 |
6.0 |
39 |
8 |
Antimycobacterial physalins from Physalis angulata L. (Solanaceae).|Physalins from Witheringia solanacea as modulators of the NF-kappaB cascade.|Plasma pharmacokinetics and tissue distribution study of physalin D in rats by ultra-pressure liquid chromatography with tandem mass spectrometry. |
PHYSALIN D|NSC288728|54980-22-2|AC1LAXAB|AC1L8QO6|CHEMBL1969989|NSC-288728|SC-36202|2-(5-chloro-4-(trifluoromethyl)-2-nitrophenyl)acet|16,14-secoergost-2-ene-18,26-dioic acid, 14,17:14,27-diepoxy-5,6,13,20,22-pentahydroxy-1,15-dioxo-, .gamma.-lactone .delta.-lactone, (5.alpha.,6.beta.,14.alpha.,16.beta.,22.alpha.,25S)-|16,14-secoergost-2-ene-18,26-dioic acid, 14,17:14,27-diepoxy-5,6,13,20,22-pentahydroxy-1,15-dioxo-, .gamma.-lactone, .delta.-lactone| |
| Eupatilin |
natural product |
Aemisia princeps|Streptomyces althioticus|Aceriphyllum rossii|Lactarius scrobiculatus|Eupatorium semiserratum|Salvia officinalis|Vitex madiensis|Chrysanthemum indicum|Bassia butyracea|Citrus reticulata|Anaxagorea clavata|Helianthus mollis|Glaucium vitellinum|Artemisia rubripes|Taxodium mucronatum|Arnica nevadensis|Citrus reticulate|Rhizobium phaseoli|Quercus aegilops|Senecio squalidus|Aria pallescens|Pteris prolifera|Chloranthus tianmushanensis|Ficus formosana|Folium artemisiae argyi|Bellis perennis|Kaempferia pulchra|Chrysanthemi flos|Pandanus amaryllifolius|Bursaria spinosa|Schizonepetae spica|Chromolaena odorata|Pyrosoma giganteum|Artemisia argyi|Odixia angusta|Cladonia evansii|Thymus godayanus|Teucrium lancifolium|Stenostomum lucidum|Artemisia montana|Coccus fagi|Pseudopterogorgia kallos|Artemisia princeps|Wallemia sebi|Stachys glutinosa|Pterocarpus grandiflorus|Prosopis glandulosa|Chrysanthemum x morifolium|Werneria nubigena|Drosera peltata|Artemisia monogyna|Dioscorea japonica|Ilex affinis|Hypericum henryi|Securidaca inappendiculata|Dipterocarpus alatus|Chromolaena pulchella|Fusarium gibbosum|Beyeria brevifolia|Echinops amplexicaulis|Artemisia anomala|Gardenia fosbergii|Othonna coronopifolia|Alligator mississippiensis|Isodon kameba|Sium lineare|Dendrosenecio kilimanjari|Araujia sericifera|Seriphidium cinum|Taxus chienii|Clonostachys rosea|Epaltes gariepina|Pheidole pallidula|Eupatorium japonicum|Agnorhiza bolanderi|Salvia mellifera|Simira eliezeriana|Actinopyga lecanora|Polysiphonia urceolata|Prunus laurocerasus|Sesbania punicea |
Path=CASP3 pathway|CASP7 pathway|CASP9 pathway|CYCS pathway|CCND1 pathway|CDKN1A pathway|JUN pathway|JUND pathway|MAPK14 pathway|TFF1 pathway|Gen=Others|Cannabinoid CB1 receptor - Homo sapiens | Cannabinoid CB2 receptor - Homo sapiens | Delta opioid receptor - Mus musculus | Delta opioid receptor - Homo sapiens | Mu opioid receptor - Homo sapiens | Mu opioid receptor - Mus musculus | Kappa opioid receptor - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|mammary gland fibrocystic disease |Gastrointestinal Cancer|Gastric carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
5273755 |
22368-21-4 |
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O)OC)O)OC |
DRRWBCNQOKKKOL-UHFFFAOYSA-N |
344.09000 |
C18H16O7 |
-1.5796 |
1 |
2 |
94.45 |
9.0 |
25 |
3 |
Determination of a new antiulcer agent, eupatilin, in rat plasma, bile, urine, and liver homogenate by high-performance liquid chromatography.|Eupatilin, a pharmacologically active flavone derived from Artemisia plants, induces apoptosis in human promyelocytic leukemia cells.|Eupatilin inhibits proliferation of ras-transformed human breast epithelial (MCF-10A-ras) cells.|Inhibitory effect of eupatilin and jaceosidin isolated from Artemisia princeps in IgE-induced hypersensitivity.|5,7-dihydroxy-3,4,6-trimethoxyflavone inhibits the inflammatory effects induced by Bacteroides fragilis enterotoxin via dissociating the complex of heat shock protein 90 and I kappaB alpha and I kappaB kinase-gamma in intestinal epithelial cell culture.|The effects of DA-6034 on NF-kappaB activity induced by lipopolysaccharide or tumor necrosis factor alpha in a human colonic epithelial cell line. |
Eupatilin|22368-21-4|Euptailin|CHEBI:4932|5,7-Dihydroxy-3',4',6-trimethoxyflavone|UNII-4D58O05490|CHEMBL312750|DRRWBCNQOKKKOL-UHFFFAOYSA-N|2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one|4D58O05490|2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-chromen-4-one|2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-4H-chromen-4-one|NSC 122413|AC1NRVK5|SCHEMBL1033509|Eupatilin, >=98% (HPLC)|DTXSID30176904|EBD1182|MolPort-008-155-866|BCP09703|HY-N0783|ZINC6018691|BDBM50060926|LMPK12111228|NSC122413|AKOS015917432|AC-7926|ACN-035220|AM84796|AN-1042|API0006416|CS-5407|AK168252|SC-72880|AB0035696|5,7-dihydroxy-3',4',6-trimethoxy flavone|FT-0686610|N2159|Y0079|C10040|368E214|I14-9713|2-(3,4-Dimethoxy-phenyl)-5,7-dihydroxy-6-methoxy-chromen-4-one|2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-4H-chromen-4-one #|4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-|4H-1-Benzopyran-4-one,2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-|2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one, 9CI| |
| Homopterocarpin |
natural product |
Platymiscium floribundum|Erycibe expansa |
Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|ileocecal colorectal adenocarcinoma |Melanoma|Murine Melanoma |
3D viewer |
Pubchem |
|
101795 |
606-91-7 |
COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)OC |
VPGIGLKLCFOWDN-YOEHRIQHSA-N |
284.10000 |
C17H16O4 |
-0.7567 |
0 |
0 |
36.92 |
4.0 |
21 |
4 |
Structure-based identification of OATP1B1/3 inhibitors.|A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway. |
Homopterocarpin|606-91-7|(6ar,11ar)-3,9-dimethoxy-6a,11a-dihydro-6h-1benzofuro3,2-cchromene|3,9-Dimethoxypterocarpan|Homopterocarpin isomer|Spectrum_000462|SpecPlus_000212|Spectrum2_000372|Spectrum3_000139|Spectrum4_001569|Spectrum5_000198|AC1L2RK8|AC1Q70TY|BSPBio_001818|KBioGR_002098|KBioSS_000942|SPECTRUM100743|DivK1c_006308|SPBio_000523|CHEMBL396671|SCHEMBL12810803|CTK8E0483|KBio1_001252|KBio2_000942|KBio2_003510|KBio2_006078|KBio3_000998|6H-Benzofuro3,2-c1benzopyran, 6a,11a-dihydro-3,9-dimethoxy-, (6aR-cis)-|CHEBI:114197|MolPort-003-665-707|VPGIGLKLCFOWDN-YOEHRIQHSA-N|ZINC2145015|9559AF|CCG-38645|SDCCGMLS-0066372.P001|(-)-6aalpha,11aalpha-Dihydro-3,9-dimethoxy-6H-benzofuro(3,2-c)(1)benzopyran|6H-Benzofuro(3,2-c)(1)benzopyran, 6aalpha,11aalpha-dihydro-3,9-dimethoxy-, (-)-|6H-Benzofuro3,2-c1benzopyran, 6a.alpha.,11a.alpha.-dihydro-3,9-dimethoxy-, (-)-|NCGC00178980-01|SR-05000002538|SR-05000002538-1|BRD-K71093375-001-03-5|3,9-Dimethoxy-6a,11a-dihydro-6H-1benzofuro3,2-cchromene #|6H-Benzofuro3,2-c1benzopyran, 6a,11a-dihydro-3,9-dimethoxy-, cis-(-)-| |
| n.a. |
natural product |
Myrica rubra |
|
Dis=Acute Myeloid Leukemia|Basophilic Leukemia |
3D viewer |
Pubchem |
|
161779 |
33606-81-4 |
COC1=C(C(=C2CCCCC(CCC3=CC(=C(C=C3)O)C1=C2)O)O)OC |
SBGBAZQAEOWGFT-OAHLLOKOSA-N |
358.18000 |
C21H26O5 |
-2.5621 |
1 |
3 |
79.15 |
7.0 |
26 |
3 |
Inhibitors of nitric oxide production from the bark of Myrica rubra: structures of new biphenyl type diarylheptanoid glycosides and taraxerane type triterpene.|The diarylheptanoid (+)-aR,11S-myricanol and two flavones from bayberry (Myrica cerifera) destabilize the microtubule-associated protein tau.|Synthesis, stereochemical analysis, and derivatization of myricanol provide new probes that promote autophagic tau clearance.|The mechanistic antitumor study of myricanol 5-fluorobenzyloxy ether in human leukemic cell HL-60. |
Myricanol|33606-81-4|(-)-Myricanol|Tricyclo12.3.1.12,6nonadeca-1(18),2,4,6(19),14,16-hexaene-3,9,15-triol, 16,17-dimethoxy-, (9R)-|Tricyclo12.3.1.12,6nonadeca-1(18),2,4,6(19),14,16-hexaene-3,9,15-triol,16,17-dimethoxy-, (9R)-|AC1Q7AIB|AC1L4Q2B|(9r)-16,17-dimethoxytricyclo12.3.1.12,6nonadeca-1(18),2(19),3,5,14,16-hexaene-3,9,15-triol|SCHEMBL433314|CHEMBL2152654|CTK4H0949|MolPort-039-052-623|SBGBAZQAEOWGFT-OAHLLOKOSA-N|ZINC5998680|AKOS028109460|Tricyclo(12.3.1.12,6)nonadeca-1(18),2,4,6(19),14,16-hexaene-3,9,15-triol, 16,17-dimethoxy-, (R)-| |
| Kadsuranin |
natural product |
Schisandra chinensis|Schisandra fructus|Alternaria mali|Helenium autumnale|Gnaphalium liebmannii|Synadenium compactum|Sorghum sativum|Eupatorium angustifolium|Aloe rubroviolacea|Euphorbia erythraea|Schisandra neglecta|Tinospora tuberculata|Pseudogynoxys engleri|Schisandrae sphenantherae fructus|Kadsurae coccineae radix et caulis|Schisandra sphenanthera |
Path=ATM pathway|ATR pathway|ATRIP pathway|PIK3CA pathway|MTOR pathway|BRCA1 pathway|CHEK1 pathway|SMC1A pathway|TP53 pathway|MAPK1 pathway|MAPK3 pathway|Gen=ATM/ATR,P-gp|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus|Multidrug resistance-associated protein 1 - Homo sapiens | DNA-dependent protein kinase - Homo sapiens | Serine-protein kinase ATM - Homo sapiens | Serine-protein kinase ATR - Homo sapiens|Org=Human immunodeficiency virus |
Dis=Breast Cancer|Ductal Adenocarcinoma|Breast Carcinoma|Chronic Myelogenous Leukemia|Head and Neck Cancers|epidermoid carcinoma of the nasopharynx|Hepatobiliary Cancer|Hepatocellular Carcinoma|Kidney Cancer|Embryonic Kidney Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=PI3K/Akt/mTOR |
3D viewer |
Pubchem |
|
174277 |
No Cas |
CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)OC)OC)OCO3 |
RTZKSTLPRTWFEV-QWHCGFSZSA-N |
400.19000 |
C23H28O6 |
0.3993 |
0 |
0 |
55.38 |
10.0 |
29 |
4 |
Effects of oxygen radicals on the conformation of sulfhydryl groups on human polymorphonuclear leukocyte membranes.|Schisandrin B protects against carbon tetrachloride toxicity by enhancing the mitochondrial glutathione redox status in mouse liver.|Hepatoprotective mechanism of schisandrin B: role of mitochondrial glutathione antioxidant status and heat shock proteins.|Hepatoprotective action of schisandrin B against carbon tetrachloride toxicity was mediated by both enhancement of mitochondrial glutathione status and induction of heat shock proteins in mice.|Antioxidative effect of schisanhenol on human low density lipoprotein and its quantum chemical calculation.|Schisandrin B protects myocardial ischemia-reperfusion injury partly by inducing Hsp25 and Hsp70 expression in rats. |
Rubschisandrin|Schisandrin B|Kadsuranin|Gomisin L1 methyl ether|(-)-gamma-Schizandrin|AC1L5B1B|Schizandrin B|CHEBI:5517|82467-51-4|61281-37-6|Wuweizisu-B|Sch B|(-)Gomisin-L1|CHEMBL513752|SCHEMBL2704277|MolPort-035-395-720|HY-N0089|ZINC1531882|s3600|CS-3659|C10621|W-2897|UNII-02XA4X3KZW component RTZKSTLPRTWFEV-QWHCGFSZSA-N|Benzo3,4cycloocta1,2-f1,3benzodioxole,5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, stereoisomer| |
| Xanthyletin |
natural product |
Zanthoxylum americanum|Gustavia hexapetala|Opuntia vulgaris|Coccus fagi|Lecidea carpathica|Citrus rugulosa|Securidaca inappendiculata|Piper hancei|Palythoa tuberculosa|Citrus tamurana|Senecio squalidus|Cladonia evansii|Rosa transmorrisonensis|Plumbago zeylanica|Bassia butyracea|Flammulina velutipes|Roemeria refracta|Ruta graveolens|Agnorhiza bolanderi|Stenostomum lucidum|Citrus hassaku|Curvularia spicifera|Grindelia humilis|Citrus aurantiifolia|Streptomyces althioticus|Aceriphyllum rossii|Rhizobium phaseoli|Citrus tachibana|Euphorbia hirta|Anaxagorea clavata|Chloranthus tianmushanensis|Citrus jambhiri|Alligator mississippiensis|Artemisia monogyna|Prosopis glandulosa|Zanthoxylum ailanthoides|Bursaria spinosa|Uncaria perrottetii|Pseudopterogorgia kallos|Luvunga scandens|Echinops amplexicaulis|Lactarius deliciosus var. deterrimus|Bougainvillea glabra|Anagallis arvensis|Boenninghausenia albiflora|Quercus aegilops|Salvia officinalis|Drosera peltata|Acanthophyllum sordidum|Angelica gigas|Ilex affinis|Cystoseira caespitosa|Epaltes gariepina|Aphelandra chamissoniana|Arnica nevadensis|Podocarpus henckelii|Earias insulana|Pseudotsuga japonica|Panax spinosus|Ficus beecheyana|Citrus medica var. etrog|Vitex madiensis|Pyrosoma giganteum|Araujia sericifera|Cyclamen balearicum|Sesbania punicea|Tanacetum argyrophyllum|Citrus tankan|Aconitum habaense|Chromolaena pulchella|Odixia angusta|Pheidole pallidula|Halosaccion ramentaceum|Strychnos henningsii|Citrus reticulata|Lyophyllum connatum|Bauhinia racemosa|Dendrosenecio kilimanjari|Pterocarpus grandiflorus|Seriphidium cinum|Lactarius scrobiculatus|Taxodium mucronatum|Clonostachys rosea|Aria pallescens|Citrus aurantifolia|Kaempferia pulchra|Bryopsis pennata|Thermus thermophilus|Citrus limon|Ficus formosana|Strophanthus hispidus|Dipterocarpus alatus|Laurencia glandulifera|Aconitum tanguticum|Chromolaena odorata|Gardenia fosbergii|Fusarium gibbosum|Isodon kameba|Polyalthia stenopetala|Vernonia scorpioides|Pteris prolifera|Beyeria brevifolia|Prunus laurocerasus|Salvia lasiantha|Pyropia tenera|Cirsium canum|Maianthemum stellatum|Hypholoma capnoides|Rauvolfia verticillata|Simira eliezeriana |
Cellular tumor antigen p53 - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Fructose-bisphosphate aldolase - Mycobacterium tuberculosis | Glucagon-like peptide 1 receptor - Homo sapiens | Survival motor neuron protein - Homo sapiens | Acetylcholinesterase - Homo sapiens | Ataxin-2 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Glyceraldehyde-3-phosphate dehydrogenase liver - Homo sapiens | Carbonic anhydrase I - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Pyruvate kinase - Leishmania mexicana | Carbonic anhydrase XII - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Niemann-Pick C1 protein - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Breast cancer type 1 susceptibility protein - Homo sapiens | Beta-secretase 1 - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Ras-related protein Rab-9A - Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens | Alpha-synuclein - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Carbonic anhydrase IX - Homo sapiens | DNA polymerase beta - Homo sapiens | Carbonic anhydrase XIII - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Dual specificity tyrosine-phosphorylation-regulated kinase 1A - Rattus norvegicus | Carbonic anhydrase VII - Homo sapiens |Org= Plasmodium falciparum | Saccharomyces cerevisiae |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Org=Plasmodium falciparum | Saccharomyces cerevisiae |
3D viewer |
Pubchem |
|
65188 |
553-19-5 |
CC1(C=CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)C |
QOTBQNVNUBKJMS-UHFFFAOYSA-N |
228.08000 |
C14H12O3 |
1.1778 |
1 |
0 |
35.53 |
2.0 |
17 |
3 |
Coumarins isolated from Angelica gigas inhibit acetylcholinesterase: structure-activity relationships.|Structure-activity relationships of novel inhibitors of glyceraldehyde-3-phosphate dehydrogenase.|Isolation and structure of gustastatin from the Brazilian nut tree Gustavia hexapetala.|Microsphere-based protease assays and screening application for lethal factor and factor Xa.|Isolation of xanthyletin, an inhibitor of ants' symbiotic fungus, by high-speed counter-current chromatography.|High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
Xanthyletin|Xanthyletine|553-19-5|UNII-3N789LD38N|2,2-dimethylpyrano3,2-gchromen-8-one|Spectrum_000673|SpecPlus_000132|CHEMBL303846|CHEBI:10073|3N789LD38N|8,8-Dimethyl-8H-pyrano3,2-gchromen-2-one|8,8-Dimethyl-2H,8H-benzo(1,2-b:5,4-b')dipyran-2-one|Spectrum2_000365|Spectrum3_000124|Spectrum4_001401|Spectrum5_000162|AC1L22RP|BSPBio_001768|KBioGR_001782|KBioSS_001153|SPECTRUM100609|cid_65188|MLS000863611|DivK1c_006228|SPBio_000489|MEGxp0_000991|SCHEMBL2120500|ACon1_000507|KBio1_001172|KBio2_001153|KBio2_003721|KBio2_006289|KBio3_000928|DTXSID60203818|MolPort-000-882-084|QOTBQNVNUBKJMS-UHFFFAOYSA-N|HMS2269H15|ZINC338304|HY-N4116|BDBM50292575|CCG-38639|AKOS000278141|MCULE-4193827138|SDCCGMLS-0066430.P001|NCGC00095444-01|NCGC00095444-02|NCGC00095444-03|SMR000440697|CS-0032126|C09317|2,2-dimethyl-8-pyrano3,2-g1benzopyranone|A830590|SR-01000780630|SR-01000780630-2|8,8-Dimethyl-2H,8H-pyrano3,2-gchromen-2-one #|BRD-K28108221-001-02-3|2H,8H-Benzo1,2-b:5,4-b'dipyran-2-one, 8,8-dimethyl-|NCGC00095444-05!2,2-dimethylpyrano3,2-gchromen-8-one| |
| Ingenol Mebutate |
natural product |
Euphorbia peplus |
Path=PRKCD pathway|PRKCA pathway|Protein kinase C delta - Homo sapiens |Org= Human immunodeficiency virus 1 | Human immunodeficiency virus type 2 (ISOLATE ROD) |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Non-Hodgkin's Lymphomas|B-cell lymphoma|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Org=Human immunodeficiency virus 1 | Human immunodeficiency virus type 2 (ISOLATE ROD) |
3D viewer |
Pubchem |
|
6918670 |
75567-37-2 |
CC=C(C)C(=O)OC1C(=CC23C1(C(C(=CC(C2=O)C4C(C4(C)C)CC3C)CO)O)O)C |
VDJHFHXMUKFKET-WDUFCVPESA-N |
430.24000 |
C25H34O6 |
0.8605 |
6 |
3 |
104.06 |
13.0 |
31 |
4 |
Characterization of the interaction of ingenol 3-angelate with protein kinase C.|PEP005, a selective small-molecule activator of protein kinase C, has potent antileukemic activity mediated via the delta isoform of PKC.|HIV type 1 inhibition by protein kinase C modulatory compounds.|Induction of senescence in diterpene ester-treated melanoma cells via protein kinase C-dependent hyperactivation of the mitogen-activated protein kinase pathway.|Neutrophils are a key component of the antitumor efficacy of topical chemotherapy with ingenol-3-angelate.|Effects of protein kinase C modulation by PEP005, a novel ingenol angelate, on mitogen-activated protein kinase and phosphatidylinositol 3-kinase signaling in cancer cells. |
Ingenol mebutate|Picato|Ingenol 3-angelate|Ingenol-3-angelate|75567-37-2|PEP-005|PEP005|3-Angeloylingenol|UNII-7686S50JAH|PEP 005|3-Ingenyl angelate|7686S50JAH|Euphorbia factor H1|Picato (TN)|Euphorbia factor An1|Ingenol mebutate USAN:INN|dihydroxy-(hydroxymethyl)-tetramethyl-oxo-?yl (Z)-2-methylbut-2-enoate|I3A|Ingenol-3- angelate|Ingenol-3-angelate;|Ingenol mebutate (USAN)|(Z)-2-methylbut-2-enoate|GTPL7443|SCHEMBL2526605|CHEMBL1863513|HSDB 8308|MolPort-003-941-761|VDJHFHXMUKFKET-WDUFCVPESA-N|HY-B0719|AN-262|AKOS024457952|ZINC100037855|ACN-035815|CS-2971|DB05013|Ingenol-3-angelate, >=95% (HPLC)|D09393|(1aR,2S,5R,5aS,6S,8aS,9R,10aR)-5,5a-Dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a- methanocyclopenta(a)cyclopropa(e)cyclodecen-6-yl (2Z)-2-methylbut-2-enoate|(1aR,2S,5R,5aS,6S,8aS,9R,10aR)-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopentaacyclopropae10annulen-6-yl|(2Z)-2-Methyl-2-butenoic acid (1aR,2S,5R,5aS,6S,8aS,9R,10aR)-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1H-2,8a-methanocyclopentaacyclopropaecyclodecen-6-yl ester|2-Butenoic acid, 2-methyl-, (1aR,2S,5R,5aS,6S,8aS,9R,10aR)-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1H-2,8a-methanocyclopentaacyclopropaecyclodecen-6-yl ester, (2Z)-|849146-39-0| |
| 28-Deacetylbelamcandal |
natural product |
Iris tectorum |
Org=Mus musculus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Org=Mus musculus |
3D viewer |
Pubchem |
|
10791126 |
No Cas |
CC(=CCCC(=C)C=CC=C(CO)C1CCC2(C1O)C(C(=C(C)C=O)CCC2(C)O)CCCO)C |
XVFORSWJIMCHND-HWEIDYSJSA-N |
486.33000 |
C30H46O5 |
1.7353 |
5 |
4 |
97.99 |
19.0 |
35 |
2 |
|
|
| Pycnamine |
natural product |
Berberis amurensis|Berberis spp|Radix stephaniae cepharanthae |
Path=NAT1 pathway|ABL1 pathway|BCR pathway|CASP3 pathway|PTGS2 pathway|CASP8 pathway|CASP9 pathway|FAS pathway|TP53 pathway|BCL2 pathway|BAX pathway|Org=Plasmodium falciparum |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|Oral Squamous Cell Carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Org=Plasmodium falciparum |
3D viewer |
Pubchem |
|
442341 |
569-16-4 |
CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC |
DFOCUWZXJBAUSQ-FQLXRVMXSA-N |
608.29000 |
C37H40N2O6 |
-0.1345 |
2 |
1 |
72.86 |
9.0 |
45 |
6 |
|
|
| Tomentic Acid |
natural product |
Perilla frutescens|Rubus sieboldii|Euscaphis japonica|Eriobotrya japonica|Lsodon oresbia|Clutia richardiana|Zanthoxylum brachyacanthum|Euodia bodinieri|Rubus alceaefolius|Kippistia suaedifolia|Hertia intermedia|Euodia officinalis|Spirographis spallanzani|Diphasiastrum alpinum|Euodia ruticarpa|Pteromys volans|Geum japonicum|Euphorbia franckiana|Ipomoea cairica|Tetradium ruticarpum|Rosa multiflora|Pelargonium reniforme|Ledebouria socialis|Haplopappus ciliatus|Vitex negundo var. cannabifolia|Rhizomnium magnifolium|Knoxia valerianoides|Fragaria vesca|Casimiroa tetrameria|Chlorophytum borivilianum|Dipterocarpus dyeri|Geranium nepalense|Garcinia scortechinii|Prunella vulgaris|Verbascum dudleyanum|Piptoporus australiensis|Colchicum speciosum|Artemisia hanseniana|Rhaponticum uniflorum|Sordaria araneosa|Fagara rubescens|Laurencia caraibica|Lesquerella auriculata|Duboscia macrocarpa|Cecropia lyratiloba|Apollonias barbujana|Lasianthus fordii|Isodon lophanthoides|Jurinella moschus|Lycopus europaeus|Pyracantha coccinea|Aspergillus foveolatus|Aconitum leucostomum|Radix sanguisorbae|Ahnfeltia plicata|Anarsia lineatella|Relbunium atherodes|Senecio sinuatus|Ardisiae japonicae herba|Rosa laevigata|Doris verrucosa|Eucalyptus coccifera|Rubi fructus|Astragalus pterocephalus|Aromadendron elegans|Persea mexicana|Boehmeriae rhizoma et radix|Fagara cuspidata|Uncaria gambier|Lithospermum erythrorhizon|Arnebia euchroma|Heliomeris multiflora|Ceanothus velutinus|Sargentodoxae caulis|Melaleuca genistifolia|Panax innovans|Aquilegia ecalcarata|Campsis flos|Eria robusta|Lycoperdon pyriforme|Rosae laevigatae fructus|Premna fulva|Swertia angustifolia|Potentillae discoloris herba|Berberis brandisiana|Ligularia dentata|Potentillae chinensis herba|Kopsia grandifolia|Dipodium punctatum|Eriobotryae folium|Bowdichia virgilioides|Penicillium cinerascens|Rhapontici radix|Callyspongia siphonella|Psittacanthus cucullaris|Verbenae herb|Aphelasterias japonica|Blumea mollis|Fructus ligustri lucidi|Gardenia tubifera|Rhodobacter sphaeroides|Elsholtzia ciliata|Vernonia jalcana|Agrimonia pilosa|Lycopus lucidus|Cissus quinquefolia|Boehmeria nivea|Hedychium forrestii|Echinops setifer|Pygeum topengii|Echinopsis latifolius|Polygala amarella |
Path=PAPOLA pathway|N/A|Protease - Human immunodeficiency virus 1 |Org= Human immunodeficiency virus 1 |
Dis=mouse tumor model|DMBA/TPA induced skin carcinoma|Acute Lymphoblastic Leukemia|peripheral blood cancer|Gastrointestinal Cancer|Gastric carcinoma|Org=Human immunodeficiency virus 1 |
3D viewer |
Pubchem |
|
73193 |
13850-16-3 |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1(C)O)C)C(=O)O |
OXVUXGFZHDKYLS-BLIWDXROSA-N |
488.35000 |
C30H48O5 |
0.822 |
5 |
4 |
97.99 |
12.0 |
35 |
5 |
Naturally occurring conjugated octadecatrienoic acids are strong inhibitors of prostaglandin biosynthesis.|Antimycobacterial plant terpenoids.|Novel anti-inflammatory compounds from Rubus sieboldii, triterpenoids, are inhibitors of mammalian DNA polymerases.|Ursolic acid: a potent inhibitor of superoxides produced in the cellular system.|Phytochemical and analgesic activity of extract, fractions and a 19-hydroxyursane-type triterpenoid obtained from Rubus rosaefolius (Rosaceae).|Tormentic acid reduces vascular smooth muscle cell proliferation and survival. |
Tormentic acid|13850-16-3|Jacarandic acid|CHEBI:70682|(2|A,3|A)-2,3,19-trihydroxyurs-12-en-28-oic acid|(1R,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid|tomentic acid|AC1L2JFE|AC1Q5QZF|SCHEMBL94231|CHEMBL239077|MolPort-028-599-904|2,3,19-Trihydroxyurs-12-en-28-oic acid (2alpha,3beta)-|Urs-12-en-28-oic acid, 2,3,19-trihydroxy-, (2alpha,3beta)-|NSC720893|ZINC43574732|AKOS032962136|NSC-720893|LS-193520|W2592|2.alpha.,19.alpha.-Trihydroxy-urs-12-en-28-oic acid|2.alpha.,3.alpha.,19.alpha.-Trihydroxyurs-12-en-28-oic acid| |
| 3,4-Dibromomaleimide |
natural product |
Axinella brevistyla |
Org=Escherichia coli |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|Org=Escherichia coli |
3D viewer |
Pubchem |
|
14279 |
1122-10-7 |
C1(=C(C(=O)NC1=O)Br)Br |
BIKSKRPHKQWJCW-UHFFFAOYSA-N |
252.84000 |
C4HBr2NO2 |
0.5219 |
3 |
1 |
49.66 |
3.0 |
9 |
1 |
Protein modification, bioconjugation, and disulfide bridging using bromomaleimides.|In situ maleimide bridging of disulfides and a new approach to protein PEGylation.|Enhancement of antibiotic activity against multidrug-resistant bacteria by the efflux pump inhibitor 3,4-dibromopyrrole-2,5-dione isolated from a Pseudoalteromonas sp.|Dual Functionalized Bacteriophage Q as a Photocaged Drug Carrier. |
1122-10-7|3,4-dibromo-1h-pyrrole-2,5-dione|2,3-Dibromomaleimide|Dibromomaleinimide|3,4-Dibromopyrrole-2,5-dione|2,3-Dibromomaleinimide|dibromomaleimide|MALEIMIDE, DIBROMO-|3,4-dibromomaleimide|BRN 0121508|1H-Pyrrole-2,5-dione, 3,4-dibromo-|AK-32858|3,4-dibromo-2,5-dihydro-1H-pyrrole-2,5-dione|W-200837|C4HBr2NO2|dibromo-maleimid|di-bromomaleimide|AC1L23HT|2 3-dibromomaleimide 97|2,3-Dibromomaleimide, 97%|SCHEMBL845296|CHEMBL447173|CTK4A7705|KS-00000MDE|DTXSID40149942|BIKSKRPHKQWJCW-UHFFFAOYSA-N|MolPort-001-781-400|ZINC2039881|ANW-49287|BBL102816|STL556624|3,4-bis(bromanyl)pyrrole-2,5-dione|AKOS015898165|1H-Pyrrole-2,5-dione,3,4-dibromo-|CS-W004756|FCH1328057|GS-4011|LS40584|AJ-33207|AN-48599|BP-21483|BP-23379|BR-32858|CJ-07603|LS-88678|SC-69801|AB0034785|DB-002026|ST2410244|AM20080073|D3910|FT-0649607|X8998|3,4-dibromo-1h-pyrrole-2,5(2h,5h)-dione|S-1683|122D107|A802513|I11-0044| |
| Artemisinin |
natural product |
Artemisia annua|Artemisia apiacea |
Path=MMP2 pathway|CDK2 pathway|CDK4 pathway|RB1 pathway|SP1 pathway|Gen=Anti-infection|Org=Plasmodium falciparum 3D7 | Plasmodium falciparum | Plasmodium berghei | Plasmodium falciparum (isolate K1 / Thailand) | Plasmodium falciparum D6|Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | TAR DNA-binding protein 43 - Homo sapiens | Nonstructural protein 1 - Influenza A virus | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis |Org= Plasmodium falciparum|Histidine-rich protein - Plasmodium falciparum | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Cytochrome P450 2B6 - Homo sapiens | Geminin - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Cytochrome P450 1A2 - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Cholinesterase - Equus caballus | Ferritin light chain - Equus caballus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens |Org= Plasmodium berghei | Plasmodium falciparum 3D7 | Ipomoea grandifolia | Toxoplasma gondii | Plasmodium falciparum (isolate FcB1 / Columbia) | Leishmania donovani | Trypanosoma cruzi | Epilachna | Issatchenkia orientalis | Plasmodium yoelii nigeriensis | Candida albicans | Trypanosoma brucei rhodesiense | Gallus gallus | Filobasidiella neoformans | Urochloa decumbens | Plasmodium vinckei petteri | Balamuthia mandrillaris | Hepatitis B virus | Giardia intestinalis | Plasmodium falciparum NF54 | Fusarium oxysporum |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Melanoma|malignant melanoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=Microbiology |
3D viewer |
Pubchem |
|
9838675 |
63968-64-9 |
CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)C |
BLUAFEHZUWYNDE-DKGJTOOQSA-N |
282.15000 |
C15H22O5 |
0.8012 |
5 |
0 |
53.99 |
3.0 |
20 |
3 |
Susceptibility of African isolates of Plasmodium falciparum to artemisinin (qinghaosu).|Selenium and sulfur in antioxidant protective systems: relationships with vitamin E and malaria.|Monoterpenic fragment analogues of aplasmomycin as potential antimalarial.|In vitro and clinical correlates of mefloquine resistance of Plasmodium falciparum in eastern Thailand.|The potentiating action of tetrandrine in combination with chloroquine or qinghaosu against chloroquine-sensitive and resistant falciparum malaria.|Evidence that the antimalarial activity of artemisinin is not mediated via intercalation with nucleotides. |
Artemisinine|artemisinin|GNF-Pf-5341|63968-64-9|Astemisinin|Artemisinin,(S)|Artemisinin, 18|SCHEMBL60303|CHEMBL567597|BDBM36349|BLUAFEHZUWYNDE-DKGJTOOQSA-N|MolPort-002-493-751|BN0705|CID452191|AKOS015894973|ZINC100014791|BC622729|N1827|(1S,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo10.3.1.0^{4,13}.0^{8,13}hexadecan-10-one|(1S,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo10.3.1.04,13.08,13hexadecan-10-one| |
| Doxorubicin |
natural product |
Dracocephalum kotschyi|Ixora coccinea|Actinoallomurus sp.|Escherichia coli|Dryopteris parallelogramma|Streptomyces peucetius 7600|Streptomyces peucetius|Streptomyces peucetius pnn1|Streptomyces peucetius var. caesius n47|Streptomyces peucetius atcc 29050|Streptomyces|Streptomyces venezuelae|Streptomyces c5|Streptomyces peucetius caesius |
Solute carrier organic anion transporter family member 1B1 - Homo sapiens | NADH-ubiquinone oxidoreductase chain 4 - Homo sapiens | Caspase-1 - Homo sapiens | Serotonin 4 (5-HT4) receptor - Cavia porcellus | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Arachidonate 15-lipoxygenase - Oryctolagus cuniculus | Muscarinic acetylcholine receptor M1 - Homo sapiens | Serotonin 1b (5-HT1b) receptor - Rattus norvegicus | Multidrug resistance-associated protein 7 - Homo sapiens | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Human immunodeficiency virus type 1 integrase - Human immunodeficiency virus 1 | Apoptosis regulator Bcl-X - Homo sapiens | Receptor protein-tyrosine kinase erbB-2 - Homo sapiens | Ribonuclease pancreatic - Bos taurus | Carnitine palmitoyltransferase 1A - Rattus norvegicus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Apoptosis regulator Bcl-2 - Homo sapiens | DNA polymerase kappa - Homo sapiens | Tyrosine-protein kinase LCK - Homo sapiens | Tyrosine-protein kinase FYN - Homo sapiens | Reverse transcriptase - Human immunodeficiency virus 1 | DNA topoisomerase II alpha - Homo sapiens | Telomerase reverse transcriptase - Homo sapiens | Botulinum neurotoxin type B - Clostridium botulinum | Type-2 restriction enzyme HindIII - Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd) |Org= Mus musculus | Artemia | Artemia salina | Escherichia coli | Gallus gallus | Candida albicans | Hepatitis C virus | Agrobacterium tumefaciens | Plasmodium berghei |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Non-Melanoma Skin Cancers|human fetal foreskin fibroblast|Ovarian Cancer|Epithelial Ovarian Cancer |Soft Tissue Sarcoma|Mouse sarcoma|Org=Mus musculus | Artemia | Artemia salina | Escherichia coli | Gallus gallus | Candida albicans | Hepatitis C virus | Agrobacterium tumefaciens | Plasmodium berghei |
3D viewer |
Pubchem |
5MRA 1D12 1I1E 6FTP |
31703 |
23214-92-8 |
CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O |
AOJJSUZBOXZQNB-TZSSRYMLSA-N |
543.17000 |
C27H29NO11 |
-4.4188 |
9 |
6 |
206.07 |
13.0 |
39 |
5 |
Stimulation of microsomal NADPH oxidation by quinone group-containing anticancer chemicals.|The changing management of childhood Hodgkin's disease.|[Criteria for choice of therapeutic procedures in lymphomas].|[Current problems in therapy of evolutive malignant granuloma. Our experience with a new scheme of polychemotherapy].|Improvement in the results of treatment of osteogenic sarcoma.|Progress in the chemotherapy of hematologic diseases. |
doxorubicin|Adriamycin|23214-92-8|Doxil|Adriablastin|Doxorubicine|Adriblastina|Doxorubicinum|14-Hydroxydaunomycin|14-Hydroxydaunorubicine|Doxorubicina|Adriamycin semiquinone|Doxorubicine INN-French|Doxorubicinum INN-Latin|Doxorubicina INN-Spanish|Myocet|Adriblastin|Caelyx|FI 106|Doxorubicin USAN:INN:BAN|Hydroxydaunorubicin|CCRIS 739|Resmycin|HSDB 3070|NDC 38242-874|NCI-C01514|UNII-80168379AG|EINECS 245-495-6|CHEMBL53463|CHEBI:28748|NSC 123127|5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-|DM2|80168379AG|ADM|(1S,3S)-3-Glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl-(3-amino-2,3,6-tridesoxy-alpha-L-lyxo-hexopyranosid)|(8S,10S)-10-((3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-glycoloyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione|1,2,3,4,6,11-Hexahydro-4beta,5,12-trihydroxy-4-(hydroxyacetyl)-10-methoxy-6,11-dioxonaphthacen-1beta-yl-3-amino-2,3,6-trideoxy-alpha-L-lyxohexopyranoside|10-((3-Amino-2,3,6-trideoxy-D-lyxohexopyranosyl)oxy)-8-glycolcyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione|DOX-SL|ThermoDox|Adriblas tina|MLS000028393|Doxorubicin-hLL1|RDF Rubex|(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-(methyloxy)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside|(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside|(1S,3S)-3-glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside|(7S,9S)-7-(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yloxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione|(8S,10S)-10-{(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yloxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione|Adriblastina (TN)|Aerosolized Doxorubicin|Doxorubicin-P4/D10|25316-40-9|DOX|Doxorubicin (USAN/INN)|Doxorubicin-hLL1 conjugate|Rubex (hydrochloride salt)|Adriacin (hydrochloride salt)|Doxorubicin-P4/D10 conjugate|TLC D-99|adiblastine (hydrochloride salt)|adriblatina (hydrochloride salt)|adriablatina (hydrochloride salt)|Adriblastina (hydrochloride salt)|adriablastine (hydrochloride salt)|Farmablastina (hydrochloride salt)|adr iablatina (hydrochloride salt)|Adriamycin PFS (hydrochloride salt)|Adriamycin RDF (hydrochloride salt)|Doxorubicin(Adriamycin)|(7S,9S)-7-(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yloxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride|Prestwick0_000438|Prestwick1_000438|Prestwick2_000438|Prestwick3_000438|Doxorubicin hydrochloride (hydrochloride salt)|Probes1_000151|Probes2_000129|AC1L1M5T|AC1Q29OJ|SCHEMBL3243|BSPBio_000456|BSPBio_001031|Hydroxydaunomycin hydrochloride (hydrochloride salt)|Caelyx (liposomal doxorubicin)|Hydroxydaunomycin hydrochlor ide (hydrochloride salt)|SPBio_002395|BPBio1_000502|cid_443939|GTPL7069|Hydroxydaunorubicin hydrochloride (hydrochloride salt)|DTXSID8021480|BDBM22984|BDBM32022|AOJJSUZBOXZQNB-TZSSRYMLSA-N|MolPort-006-124-025|25316-40-9 (hydrochloride)|HMS2089H06|ZINC3918087|GR-319|HY-15142A|LMPK13050001|AKOS015951330|Conjugate of doxorubicin with humanized monoclonal antibody LL1 against CD74|Conjugate of doxorubicin with monoclonal antibody P4/D10 against GP120|CS-2759|DB00997|MCULE-4188577717|SB21799|SMP1_000106|NCGC00024415-35|NCGC00024415-37|NCGC00024415-38|NCGC00024415-40|NCGC00024415-41|NCGC00024415-42|AN-17965|BP-23114|CC-23807|AB1009243|LS-165655|FT-0601614|14D928|C01661|D03899|10336-EP2270008A1|10336-EP2270014A1|10336-EP2270018A1|10336-EP2270505A1|10336-EP2272827A1|10336-EP2272832A1|10336-EP2275420A1|10336-EP2277565A2|10336-EP2277566A2|10336-EP2277567A1|10336-EP2277568A2|10336-EP2277569A2|10336-EP2277570A2|10336-EP2277865A1|10336-EP2277876A1|10336-EP2280012A2|10336-EP2281815A1|10336-EP2289892A1|10336-EP2292280A1|10336-EP2292614A1|10336-EP2292615A1|10336-EP2292617A1|10336-EP2295055A2|10336-EP2295416A2|10336-EP2295426A1|10336-EP2295427A1|10336-EP2298748A2|10336-EP2298764A1|10336-EP2298765A1|10336-EP2298768A1|10336-EP2298778A1|10336-EP2298780A1|10336-EP2301536A1|10336-EP2301538A1|10336-EP2301928A1|10336-EP2301933A1|10336-EP2302382A2|10336-EP2302383A2|10336-EP2305243A1|10336-EP2305250A1|10336-EP2305640A2|10336-EP2305642A2|10336-EP2305671A1|10336-EP2305679A1|10336-EP2305689A1|10336-EP2308562A2|10336-EP2308812A2|10336-EP2308833A2|10336-EP2308855A1|10336-EP2308861A1|10336-EP2311453A1|10336-EP2311455A1|10336-EP2311808A1|10336-EP2311825A1|10336-EP2311827A1|10336-EP2311829A1|10336-EP2311840A1|10336-EP2311842A2|10336-EP2316452A1|10336-EP2316832A1|10336-EP2316833A1|10336-EP2316834A1|10336-EP2371811A2|10336-EP2374454A1|13171-EP2269989A1|13171-EP2269994A1|13171-EP2270008A1|13171-EP2270018A1|13171-EP2270505A1|13171-EP2275102A1|13171-EP2277865A1|13171-EP2277876A1|13171-EP2281815A1|13171-EP2286812A1|13171-EP2289892A1|13171-EP2292227A2|13171-EP2292233A2|13171-EP2292614A1|13171-EP2292615A1|13171-EP2292617A1|13171-EP2295407A1|13171-EP2295412A1|13171-EP2295413A1|13171-EP2295416A2|13171-EP2298305A1|13171-EP2298736A1|13171-EP2298746A1|13171-EP2298748A2|13171-EP2298768A1|13171-EP2298772A1|13171-EP2298780A1|13171-EP2301933A1|13171-EP2305640A2|13171-EP2305642A2|13171-EP2305671A1|13171-EP2305679A1|13171-EP2305689A1|13171-EP2308833A2|13171-EP2308839A1|13171-EP2308861A1|13171-EP2311827A1|13171-EP2316832A1|13171-EP2316833A1|13171-EP2316834A1|13171-EP2316937A1|45970-EP2275413A1|45970-EP2287156A1|45970-EP2311807A1|C-23275|BRD-K92093830-003-04-3|BRD-K92093830-003-25-8|(1s,3s)-3,5,12-Trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranoside; Adriamycin; Doxorubicin|(7S,9R)-7-(2S,4S,5S,6S)-4-Amino-5-hydroxy-6-methyl-oxan-2-yloxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione|(7S,9S)-7-(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yloxy-9-glycoloyl-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone;hydrochloride|(7S,9S)-7-(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yloxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione|(7S,9S)-7-(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yloxy-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride|(7S,9S)-7-(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyloxy-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride|(8S,10S)-10-(((2R,4S,5S,6S)-4-Amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracen|(8S,10S)-10-(((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione|(8S,10S)-10-((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione|(8S-cis)-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione|(8S-cis)-10-(3-Amino-2,3,6-Tr ideoxy-alpha-L-Lyxo-Hexopyranosyl)Oxy-7,8,9,10-Tetrahydro-6,8,11-Trihydroxy-8-(Hydroxyacetyl)-1-Methoxy-5,12-Naphthacenedione|(8S-cis)-10-(3-Amino-2,3,6-Trideoxy-alpha-L-Lyxo-Hexopyranosyl)Oxy-7,8,9,10-Tetrahydro-6,8,11-Trihydroxy-8-(Hydroxyacetyl)-1-Methoxy-5,12-Naphthacenedione|(8S-cis)-10-(3-Amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione|10-((3-Amino-2,3,6-trideoxy-alpha-L-lyso-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione|23257-17-2|24385-08-8|25311-50-6|29042-30-6|5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S,10S)-|5,12-Naphthacenedione, 10-(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-, (8S,10S)-| |
| Salmahyrtisol A |
natural product |
Hyrtios erecta |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
637424 |
No Cas |
CC(=O)OC1C2=C(C=CO2)C(CC3C1(CC4C3(CCC5C4(CCCC5(C)C)C)C)C)O |
HTVZLAVMRJYGFM-XOLBZSSLSA-N |
428.29000 |
C27H40O4 |
1.2733 |
3 |
1 |
59.67 |
9.0 |
31 |
5 |
|
|
| 2-(3,4-Dihydroxyphenyl)-8-[2-(3,4-Dihydroxyphenyl)-3,5,7-Trihydroxy-3,4-Dihydro-2H-Chromen-4-Yl]-3,4-Dihydro-2H-Chromene-3,5,7-Triol |
natural product |
Hypericum perforatum|Rheum palmatum|Rheum tanguticum|Smilax china|Smilax glabra|Houttuynia cordata|Fagopyrum cymosum|Hypericum japonicum|Arachis hypogaea|Eriobotrya japonica|Fagopyrum dibotrys|Uncaria sinensis|Euphorbia longan|Cinnamomum cassia|Garcinia morella|Paeonia suffruticosa|Fallopia multiflora|Rheum coreanum|Rheum officinale |
Receptor-type tyrosine-protein phosphatase alpha - Homo sapiens | Receptor-type tyrosine-protein phosphatase beta - Homo sapiens |
Dis=Central Nervous System Cancers|Glioblastoma|Chronic Myelogenous Leukemia|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma |
3D viewer |
Pubchem |
|
130556 |
15514-06-4 |
C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O |
XFZJEEAOWLFHDH-UHFFFAOYSA-N |
578.14000 |
C30H26O12 |
-5.1813 |
2 |
10 |
220.76 |
13.0 |
42 |
6 |
Constituents of a fern, Davallia mariesii Moore. II. Identification and 1H- and 13C-nuclear magnetic resonance spectra of procyanidin B-5, epicatechin-(4 beta----8)-epicatechin-(4 beta----6)-epicatechin, and epicatechin-(4 beta----6)-epicatechin-(4 beta----8)-epicatechin-(4 beta----6)-epicatechin.|The inhibitory effect of tannins on lipid peroxidation of rat heart mitochondria.|Procyanidin oligomers selectively and intensively promote proliferation of mouse hair epithelial cells in vitro and activate hair follicle growth in vivo.|Several selective protein kinase C inhibitors including procyanidins promote hair growth.|Procyanidin B-2, extracted from apples, promotes hair growth: a laboratory study.|Suppression of estrogen biosynthesis by procyanidin dimers in red wine and grape seeds. |
Procyanidin D|Procyanidol D|NSC143099|15514-06-4|Procyanidin B|ent-Epicatechin(4alpha->8)catechin|Procyanidol oligomer|(4,8'-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-|Proanthocyanidin B2|C30H26O12|Pyrocyanidin B-3|4,8'-Bi-2H-1-benzopyran-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-|NSC 143099|AC1L2XLJ|4,8 inverted exclamation marka-Bi-(+)-epicatechin|35356-34-4|SCHEMBL4750189|CHEMBL1253314|SCHEMBL14339427|Ent-Epicatechin(4a->8)catechin|cis,cis inverted exclamation marka-4,8 inverted exclamation marka-Bi(3,3 inverted exclamation marka,4 inverted exclamation marka,5,7-pentahydroxyflavane)|Ent-Epicatechin-(4alpha->8)-catechin|71328-22-8|LS-43565|NCI60_000946|8-(3,3',4',5,7-pentahydroxyflavan-4-yl)-3,3',4',5,7-pentahydroxyflavan|2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl-3,4-dihydro-2H-chromene-3,5,7-triol|2-(3,4-dihydroxyphenyl)-4-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-8-ylchromane-3,5,7-triol|2-(3,4-DIHYDROXYPHENYL)-8-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-YL-3,4-DIHYDRO-2H-1-BENZOPYRAN-3,5,7-TRIOL|2-(3,4-dihydroxyphenyl)-8-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl-3,4-dihydro-2H-chromene-3,5,7-triol|2-(3,4-dihydroxyphenyl)-8-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-ylchroman-3,5,7-triol|20555-01-5| |
| Quinidine |
natural product |
Cinchona spp|Cinchona calisaya|Zanthoxylum pluviatile|Scutellaria ikonnikovii|Entandrophragma angolense|Phormium tenax |
Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Cytochrome P450 2D6 - Homo sapiens | P-glycoprotein 1 - Mus musculus | Multidrug and toxin extrusion protein 1 - Homo sapiens | Solute carrier family 22 member 1 - Homo sapiens | Solute carrier organic anion transporter family member 1A4 - Rattus norvegicus | Butyrylcholinesterase - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Solute carrier family 22 member 1 - Rattus norvegicus | P-glycoprotein 3 - Mus musculus | Solute carrier family 22 member 2 - Rattus norvegicus | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | P-glycoprotein 1 - Homo sapiens | Voltage-dependent L-type calcium channel subunit alpha-1C - Cavia porcellus | Cytochrome P450 3A4 - Homo sapiens | Sodium channel protein type V alpha subunit - Homo sapiens | Glucagon-like peptide 1 receptor - Homo sapiens | Voltage-gated L-type calcium channel alpha-1C subunit - Homo sapiens | Cytochrome P450 2D1 - Rattus norvegicus | Cytochrome P450 2C19 - Homo sapiens | Cytochrome P450 1A2 - Homo sapiens | Thyroid stimulating hormone receptor - Homo sapiens | HERG - Homo sapiens | Cytochrome P450 2D3 - Rattus norvegicus | Cytochrome P450 2D2 - Rattus norvegicus | Quinolone resistance protein norA - Staphylococcus aureus | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | Histidine-rich protein - Plasmodium falciparum | Ataxin-2 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Peroxisome proliferator-activated receptor gamma - Homo sapiens | Cytochrome P450 2D18 - Rattus norvegicus | Solute carrier family 22 member 5 - Mus musculus | Canalicular multispecific organic anion transporter 1 - Homo sapiens | Sodium channel protein type V alpha subunit - Rattus norvegicus | Voltage-gated potassium channel subunit Kv1.5 - Homo sapiens | Cholinesterase - Equus caballus | Solute carrier family 22 member 4 - Homo sapiens | Solute carrier family 22 member 5 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | Solute carrier organic anion transporter family member 1A2 - Homo sapiens | Solute carrier organic anion transporter family member 1A1 - Rattus norvegicus |Org= Rattus norvegicus | Plasmodium falciparum | Canis familiaris | Cavia porcellus | Entamoeba histolytica | Plasmodium falciparum 3D7 | Trypanosoma brucei brucei | Oryctolagus cuniculus | Plasmodium falciparum (isolate K1 / Thailand) | Saccharomyces cerevisiae |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Org=Rattus norvegicus | Plasmodium falciparum | Canis familiaris | Cavia porcellus | Entamoeba histolytica | Plasmodium falciparum 3D7 | Trypanosoma brucei brucei | Oryctolagus cuniculus | Plasmodium falciparum (isolate K1 / Thailand) | Saccharomyces cerevisiae |
3D viewer |
Pubchem |
4WNU |
441074 |
56-54-2 |
COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O |
LOUPRKONTZGTKE-LHHVKLHASA-N |
324.18000 |
C20H24N2O2 |
-0.5136 |
3 |
1 |
45.59 |
6.0 |
24 |
2 |
[Atrial tachycardia with atrio-ventricular block in infancy and childhood (author's transl)].|[The atrial arrhythmia syndrome of vagal origin].|Quinidine syncope: torsade de pointes with low quinidine plasma concentrations.|Increased plasma binding of quinidine after surgery: a preliminary report.|Quantitative in situ thin-layer chromatography of quinidine and salicylic acid in capillary blood.|Phosphorylation of cardiac regulatory proteins by cyclic AMP-dependent protein kinase. |
quinidine|56-54-2|(+)-Quinidine|Chinidin|Pitayine|Quinidex|(8R,9S)-Quinidine|Cin-Quin|Conquinine|Conchinin|Conchinine|(9S)-6'-Methoxycinchonan-9-ol|beta-Quinine|chinidinum|quinidina|Kinidin|Quiniduran|Chinidine|UNII-ITX08688JL|Quinaglute|Quinora|Quinidine sulfate|CHEBI:28593|(S)-(2R,4S,5R)-5-ethenyl-1-azabicyclo2.2.2octan-2-yl(6-methoxyquinolin-4-yl)methanol|Quinicardine|CHEMBL1294|Cardioquin|Duraquin|Quinact|Quinalan|Quinatime|Quindine|(1S)-(6-Methoxyquinolin-4-yl)((2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol|ITX08688JL|Cinchonan-9-ol, 6'-methoxy-, (9S)-|6-Methoxy-alpha-(5-vinyl-2-quinuclidinyl)-4-quinolinemethanol|Chinidin German|QUINIDINE HYDROCHLORIDE|Biquin durules|MFCD00135581|Auriquin|AK-57138|beta-Quinidine|alpha-(6-Methoxy-4-quinolyl)-5-vinyl-2-quinuclidinemethanol|(3'.alpha., 9S)-6'-Methoxycinchonan-9-ol|Quinidine, 98%, anhydrous|Pitayin|CCRIS 672|HSDB 225|TCMDC-131239|C20H24N2O2|NCI-C56246|Apo-Quinidine|EINECS 200-279-0|(R)-(6-methoxyquinolin-4-yl)((3S,4R,7S)-3-vinylquinuclidin-7-yl)methanol|(S)-(6-methoxy-4-quinolyl)-(2R,4S,5R)-5-vinylquinuclidin-2-ylmethanol|(S)-(2R,4S,5R)-5-ethenyl-1-azabicyclo2.2.2octan-2-yl-(6-methoxyquinolin-4-yl)methanol|(S)-(4S,5R,7R)-5-ethenyl-1-azabicyclo2.2.2octan-7-yl-(6-methoxyquinolin-4-yl)methanol|SMR000857275|Quinidine BAN:NF|Novoquinidin|Quinicine|Quin-Release|(9S)-6-Methoxy-alpha-(5-vinyl-2-quinuclidinyl)-4-quinolinemethanol|alpha-(6-Methoxy-4-quinolyl)-5-vinyl-2-quinuclidinemethanol (9S)-|(8R,9S)-6'-Methoxycinchonan-9-ol|(S)-(6-methoxyquinolin-4-yl)((2R,5R)-5-vinylquinuclidin-2-yl)methanol|Quinidex Extentabs|(S)-(6-Methoxy-quinolin-4-yl)-((2R,5R)-5-vinyl-1-aza-bicyclo2.2.2oct-2-yl)-methanol|Quinidine, anhydrous|Quinaglute Dura-Tabs|PubChem7994|AC1L9AHW|Prestwick3_000280|bmse000511|Epitope ID:141803|AC1Q4EZ6|SCHEMBL15943|BSPBio_000160|MLS001335913|MLS001335914|MLS002548869|BPBio1_000176|GTPL2342|DTXSID4023549|SCHEMBL17537608|BIB1110|MolPort-003-804-058|MolPort-044-813-639|ZX-AFC000840|HMS2234L10|HMS3259O09|ACT09863|HY-B1751|ZINC3831405|BDBM50121975|RW2069|AKOS015920101|CCG-256507|CS-7812|DB00908|MCULE-7178915526|NC00478|SDCCGMLS-0066600.P001|NCGC00091231-01|NCGC00091231-02|NCGC00091231-03|AJ-45786|AS-30538|BR-57138|CPD000857275|SAM002264644|SC-05389|SC-88763|AX8150056|ST2413763|AB00514657|FT-0082277|6470-EP1441224A2|6470-EP2272835A1|6470-EP2272844A1|6470-EP2272972A1|6470-EP2272973A1|6470-EP2275411A2|6470-EP2277872A1|6470-EP2305655A2|6470-EP2314576A1|6470-EP2314585A1|M-7594|AB01562940_01|W-109256|BRD-K59632282-052-01-5|BRD-K59632282-052-02-3|BRD-K70799801-311-02-7|(9S)-6 inverted exclamation mark -Methoxycinchonan-9-ol|Quinidine, crystallized, >=98.0% (dried material, NT)|(2-ethenyl- 4-azabicyclo 2.2.2 oct- 5-yl)- (6-methoxyquinolin- 4-yl)- methanol,|11010-73-4|1528764-92-2|500225-45-6|845886-64-8|882741-47-1|883881-01-4|898814-00-1|910899-51-3|QDN| |
| Casearlucin A |
natural product |
Casearia rupestris|Casearia sylvestris|Casearia membranacea| |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|ileocecal colorectal adenocarcinoma |Non-small Cell Lung Cancer|Lung Adenocarcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Prostate Cancer|Prostate Adenocarcinoma |
3D viewer |
Pubchem |
|
44584135 |
No Cas |
CCC(C)C(=O)OC1CC2C(C(CC(C23C(OC(C3=C1)OC(=O)C)OC(=O)C)O)C)(C)CC=C(C)C=C |
FGGPIWICAGRSLN-UQSIVEBGSA-N |
518.29000 |
C29H42O8 |
1.985 |
8 |
1 |
108.36 |
19.0 |
37 |
3 |
|
|
| E-Guggulsterone |
natural product |
Commiphora wightii|Baptisia minor|Streptomyces sahachiroi|Eupatorium inulifolium|Achromobacter piechaudii|Eucalyptus microcorys|Myrrha |
Path=CCND1 pathway|CDC2 pathway|MAPK8 pathway|MYC pathway|PTGS2 pathway|CASP3 pathway|CASP9 pathway|CDKN1A pathway|IFI27 pathway|BCL2 pathway|BCL2A1 pathway|BIRC3 pathway|BIRC5 pathway|CFLAR pathway|CHUK pathway|MAP3K14 pathway|MMP9 pathway|NFKB1 pathway|TNF pathway|TRADD pathway|TRAF1 pathway|TRAF2 pathway|VEGFA pathway|XIAP pathway|BAK1 pathway|BCL2L1 pathway|BAX pathway|CASP8 pathway|Gen=lipoprotein disorders|Bile acid receptor FXR - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Glucocorticoid receptor - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Survival motor neuron protein - Homo sapiens | Mineralocorticoid receptor - Homo sapiens | Pregnane X receptor - Homo sapiens | Progesterone receptor - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Androgen Receptor - Homo sapiens | Nuclear receptor ROR-gamma - Homo sapiens | Phospholipase A2 group 1B - Homo sapiens | Retinoid X receptor alpha - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens |Org= Plasmodium falciparum|Microtubule-associated protein tau - Homo sapiens | Vitamin D receptor - Homo sapiens|Mineralocorticoid receptor - Homo sapiens | Bile acid receptor FXR - Homo sapiens | Nuclear receptor subfamily 1 group I member 2 - Rattus norvegicus | Thyroid stimulating hormone receptor - Homo sapiens | HERG - Homo sapiens | Heat shock protein beta-1 - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Nuclear factor NF-kappa-B p105 subunit - Homo sapiens | Interleukin-8 - Homo sapiens |
Dis=Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Head and Neck Cancers|head and neck squamous cell carcinoma|head andneckprimary keratinocytes|Oral Squamous Cell Carcinoma|Kidney Cancer|human embryonic kidney contains adenovirus|Melanoma|malignant melanoma|Multiple Myeloma|Multiple Myeloma |Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Normal bronchial epithelial|Ovarian Cancer|Epithelial Ovarian Cancer |Prostate Cancer|Prostate Adenocarcinoma| |
3D viewer |
Pubchem |
|
6439929 |
No Cas |
CC=C1C(=O)CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C |
WDXRGPWQVHZTQJ-AUKWTSKRSA-N |
312.21000 |
C21H28O2 |
1.2873 |
2 |
0 |
34.14 |
3.0 |
23 |
4 |
A study of effect of guggulsterone on hyperlipidemia of secondary glomerulopathy.|A natural product that lowers cholesterol as an antagonist ligand for FXR.|Guggulsterone inhibits NF-kappaB and IkappaBalpha kinase activation, suppresses expression of anti-apoptotic gene products, and enhances apoptosis.|Megalin and cubilin expression in gallbladder epithelium and regulation by bile acids.|Regulation of carbohydrate metabolism by the farnesoid X receptor.|The ratio of constitutive androstane receptor to pregnane X receptor determines the activity of guggulsterone against the Cyp2b10 promoter. |
Guggulsterone E|(E)-Guggulsterone|E-Guggulsterone|Guggulsterone|Guggulsterones E|trans-Guggulsterone|39025-24-6|Pregna-4,17-diene-3,16-dione|UNII-9B259YE66O|(17E)-Pregna-4,17(20)-diene-3,16-dione|Z-Guggulsterone|CHEMBL402063|9B259YE66O|(8R,9S,10R,13S,14S,17E)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopentaaphenanthrene-3,16-dione|95975-55-6|E-Guggulsteron|Pregna-4,17(20)-diene-3,16-dione|Guggulsterone, (E)-|Guglip|Z/E-Guggulsterone|Pregna-4,17(20)-diene-3,16-dione, (17E)-|4,17(20)-trans-Pregnadiene-3,16-dione|(17E)-pregna-4,17-diene-3,16-dione|Spectrum5_002033|AC1O5SP4|DSSTox_CID_13538|DSSTox_RID_79082|DSSTox_GSID_33538|GTPL2745|SCHEMBL1650063|DTXSID6033538|MolPort-023-276-307|WDXRGPWQVHZTQJ-AUKWTSKRSA-N|HMS3677C09|Tox21_200314|BDBM50226465|MFCD01310758|ZINC19132424|AKOS015896568|(E)-Guggulsterone, analytical standard|API0002872|API0002873|API0002874|NCGC00091913-01|NCGC00091913-03|NCGC00257868-01|AN-10302|CAS-39025-24-6|pregna-4,17(20)-cis-diene-3,16-dione|(E)-Guggulsterone, >=95% (HPLC), powder|025G246|I06-2387|BRD-K57139258-001-01-0|UNII-A4PW148END component WDXRGPWQVHZTQJ-AUKWTSKRSA-N|137682-27-0| |
| Matrine |
natural product |
Sophora flavescens|Sophora tonkinensis|Sophora subprostrata|Shigella dysenteriae|Sophora tetraptera|Syzygium polycephaloides|Sophora vicllfolia|Lythrum salicaria|Esenbeckia leiocarpa|Aleurites cordata|Sophora chrysophylla|Fraxinus malacophylla|Pancratium sickenbergeri|Faramea salicifolia|Latrunculia magnifica|Vellozia nanuzae|Hypericum styphelioides|Dolabella californica|Diospyros assimilis|Pteridium esculentum|Tricholoma columbetta|Gymnocalycium schickendantzii|Haplophyllum obtusifolium|Aplophyllum alberti-regelii|Talauma arcabucoana|Embelia parviflora|Erythrina melanacantha|Menispermi rhizoma|Eria anomala|Piper regnellii|Cuscutae semen|Lycogala epidendrum|Centaurea maculosa|Fructussophorae|Dendronephthya griffini|Onopordum acanthium|Sophorae tonkinensis radix et rhizome|Monsonia senegalensis|Euphorbia nematocypha|Sophorae flavescentis radix|Chondrodendron tomentosum|Siphonaria capensis|Cordia leucocephala|Theonella conica|[clostridium] symbiosum|Myxococcus stipitatus|Plathymenia reticulata|Lemaireocereus longispinus|Ixanthus viscosus|Epilobium hirsutum|Embelia schimperi|Atraphaxis spinosa|Conus mus|Planchonia grandis|Ephedra sinica|Erysimum leptophyllum|Glyphotaelius pellucidus|Asimina parviflora|Sphaeranthus bullatus|Rhinella marina|Simarouba glauca|Helichrysum tenuifolium|Clerodendrum bungei|Leontice alberti|Vernonia fagifolia|Baccharis neglecta|Morella rubra|Sophora alopecuroides|Abelia chinensis |
Path=EIF4E pathway|N/A|MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|CASP3 pathway|FAS pathway|FASLG pathway|Gen=Opioid Receptor|Org=Hepatitis B virus|Histone acetyltransferase GCN5 - Homo sapiens |Org= Plasmodium falciparum|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus |Org= Hepatitis B virus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioma|Chronic Myelogenous Leukemia|Esophageal and Esophagogastric Junction Cancers|Esophageal squamous cell carcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Gen=Neuronal Signaling |
3D viewer |
Pubchem |
|
91466 |
Matridin-15-one |
C1CC2C3CCCN4C3C(CCC4)CN2C(=O)C1 |
ZSBXGIUJOOQZMP-JLNYLFASSA-N |
248.19000 |
C15H24N2O |
-1.9058 |
3 |
0 |
23.55 |
0.0 |
18 |
4 |
Acute effects of anti-inflammatory drugs on neodymium:yttrium aluminum garnet laser-induced uveitis in dogs.|Prevention of ocular inflammation by matrine, prednisolone, and cyclooxygenase and lipoxygenase inhibitors.|Ocular anti-inflammatory actions of matrine.|[Effects of inhibitor of protein kinase C on brain edema formation evoked by experimental cerebral ischemia in gerbils and rats].|[The influence of Matrine on apoptosis of fibroblasts and the expression of apoptotic modulation related protein in hypertrophic scar of rabbit ear].|[Effects of matrine on the activity of protein tyrosine kinase and phosphatase in K562 cells]. |
Matrine|519-02-8|(+)-Matrine|Matridin-15-one|Matrinium|UNII-N390W430AC|Matrene, (+)-|NSC 146051|BRN 0085851|CHEBI:6700|N390W430AC|(7aS,13aR,13bR,13cS)-Dodecahydro-1H,5H,10H-dipyrido2,1-f:3',2',1'-ij1,6naphthyridin-10-one|C15H24N2O|AK164135|Sophocarpidine|1H,5H,10H-Dipyrido2,1-f:3',2',1'-ij1,6naphthyridin-10-one, dodecahydro-, (7aS,13aR,13bR,13cS)-|alpha-Matrine|cis-Neomatrine|(+)-Matrine, 519-02-8|trans-Neomatrine|Matrine,(S)|Matrine ((+)-Matrine)|AC1L3M4P|Matridin-15-one (9CI)|5-24-02-00301 (Beilstein Handbook Reference)|SCHEMBL177907|CHEMBL204860|CTK1H0283|DTXSID00274188|MolPort-002-517-366|BCP08193|HY-N0164|ZINC2083329|ANW-43480|CM0087|MFCD00210527|NSC146051|s2322|AKOS007930266|CCG-208589|CS-1601|KS-5203|NSC-146051|RL03912|RTR-031399|NCGC00346593-01|AN-45507|LS-89363|O723|TR-031399|FT-0698746|M2120|N1836|19M028|C10774|(41S,7aS,13aR,13bR)-dodecahydro-1H,5H,10H-dipyrido2,1-f:3',2',1'-ij1,6naphthyridin-10-one|(7aS,13aR,13bS,13cS)dodecahydro-1H,5H,10H-dipyrido2,1-f:3,2,1-ij1,6naphthyridin-10-one| |
| Bromodeoxytopsentin |
natural product |
Spongosorites spp|spongosorites sp.|Spongosorites genitrix |
Sortase - Staphylococcus aureus |Org= Staphylococcus aureus | Staphylococcus aureus subsp. aureus RN4220 |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Org=Staphylococcus aureus | Staphylococcus aureus subsp. aureus RN4220 |
3D viewer |
Pubchem |
|
400452 |
No Cas |
C1=CC=C2C(=C1)C(=CN2)C(=O)C3=NC=C(N3)C4=CNC5=C4C=CC(=C5)Br |
RMAWSNVDVKZXDX-UHFFFAOYSA-N |
404.03000 |
C20H13BrN4O |
-0.6362 |
5 |
3 |
77.33 |
4.0 |
26 |
5 |
Bis(indole) alkaloids as sortase A inhibitors from the sponge Spongosorites sp.|Synthetic analogues of the marine bisindole deoxytopsentin: potent selective inhibitors of MRSA pyruvate kinase.|Further investigation of inhibitors of MRSA pyruvate kinase: Towards the conception of novel antimicrobial agents. |
Bromodeoxytopsentin|4-(6-bromo-1h-indol-3-yl)-1h-imidazol-2-yl(1h-indol-3-yl)methanone|NSC712184|AC1L8FO8|CHEMBL198814|SCHEMBL17537615|CTK5I7910|BDBM50210344|NSC-712184|NCI60_039303|5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl-(1H-indol-3-yl)methanone| |
| n.a. |
natural product |
Sophora flavescens|Spartium junceum|Sophora tonkinensis|Laburnum anagyroides|Thermopsis lanceolata|Thermopsis alternifolia|Sophora alopecuroides|Thermopsis alpina|Thermopsis chinensis|Wisteria sinensis|Thermopsis lupinoides |
Gen=AChR|Cholinesterase - Equus caballus | Neuronal acetylcholine receptor protein alpha-4 subunit - Rattus norvegicus | Neuronal acetylcholine receptor protein alpha-7 subunit - Rattus norvegicus | Acetylcholine receptor protein delta chain - Torpedo californica | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Nicotinic acetylcholine receptor alpha 5 subunit - Musca domestica | Lysine-specific demethylase 4D-like - Homo sapiens | Neuronal acetylcholine receptor protein alpha-7 subunit - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | Beta-glucocerebrosidase - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Inositol monophosphatase 1 - Rattus norvegicus | Cytochrome P450 3A4 - Homo sapiens | Acetylcholine receptor protein alpha chain - Torpedo californica | Microtubule-associated protein tau - Homo sapiens | Prelamin-A/C - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens |Org= Rattus norvegicus|Chromobox protein homolog 1 - Homo sapiens | Geminin - Homo sapiens | Rap guanine nucleotide exchange factor 4 - Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens |Org= Plasmodium falciparum| |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Esophageal and Esophagogastric Junction Cancers|Esophageal squamous cell carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=Neuronal Signaling |
3D viewer |
Pubchem |
4BQT 5SYO |
22407 |
485-35-8 |
C1C2CNCC1C3=CC=CC(=O)N3C2 |
ANJTVLIZGCUXLD-UHFFFAOYSA-N |
190.11000 |
C11H14N2O |
-1.1881 |
3 |
1 |
32.34 |
0.0 |
14 |
3 |
Pharmacological properties of the homomeric alpha 7 receptor.|Behavioral effects after intrathecal administration of cholinergic receptor agonists in the rat.|[The effect of cytisine on mRNA transport in the cytoplasm of eukaryotic cells (plants and animals)].|Biochemical characterization of the nicotinic cholinergic receptors in human brain: binding of (-)-[3H]nicotine.|[3H](-)nicotine binding sites in fetal human brain.|[3H]acetylcholine nicotinic recognition sites in human brain: characterization of agonist binding. |
CYTISINE|15191-27-2|BABTITOSINE|1,2,3,4,5,6-hexahydro-1,5-methano-pyrido-1,2-a1,5diazocin-8-one|485-35-8|Cytisin|ANJTVLIZGCUXLD-UHFFFAOYSA-N|NSC685524|7,11-Diazatricyclo7.3.1.0(2,7)trideca-2,4-dien-6-one|1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido1,2-a1,5diazocin-8-one|3,4,5,6-tetrahydro-1H-1,5-methanopyrido1,2-a1,5diazocin-8(2H)-one|F0722-8596|7,11-diazatricyclo7.3.1.0<2,7>trideca-2,4-dien-6-one|Cytisine-(-)|1,5-Methano-8H-pyrido1,2-a1,5diazocin-8-one,1,2,3,4,5,6-hexahydro-|1,5-Methano-8H-pyrido1,2-a1,5diazocin-8-one, 1,2,3,4,5,6-hexahydro-, (1R)-|SMR000677926|MLS003171607|MFCD00136048|NSC407282|1,5-Methano-8H-pyrido1,2-a1,5diazocin-8-one, 1,2,3,4,5,6-hexahydro-, (1R,5S)-|7,11-diazatricyclo|ACMC-20dsb2|AC1L2KCE|Oprea1_221919|7,11-diazatricyclo7.3.1.0~2,7~trideca-2,4-dien-6-one|MLS001183793|MLS001304973|MLS002207220|SCHEMBL472026|MEGxp0_001711|ACon1_000319|BDBM86311|CTK4C7254|TOS-BB-0709|DTXSID80274727|1,5-Methano-8H-pyrido(1,2-a)(1,5)diazocin-8-one, 1,2,3,4,5,6-hexahydro-|1,5-Methano-8H-pyrido1,2-a1,5diazocin-8-one, 1,2,3,4,5,6-hexahydro-|CHEBI:111178|MolPort-000-163-367|HMS1648K04|HMS2233P08|HMS3369C22|HMS3369J15|HMS3655B22|ALBB-006069|BBL010600|NSC_22407|SBB003656|AKOS005135854|MCULE-9751273485|NSC-685524|NCGC00017171-02|NCGC00017171-03|NCGC00017171-04|NCGC00017171-05|NCGC00095093-01|NCGC00095093-02|NCGC00095093-03|NCGC00180675-01|CAS_485-35-8|NCI60_003868|NCI60_030782|ST008373|DB-008498|TR-041401|4CH-023899|BB 0260863|FT-0701623|L-5381|AB00876252_08|Q-200915|BRD-A38359809-001-01-4|7,11-diazatricyclo7.3.1.0?,?trideca-2,4-dien-6-one|7,11-diazatricyclo7.3.1.0(2),trideca-2,4-dien-6-one|(1S,9S)-3,11-Diazatricyclo7.3.1.0trideca-5,7-dien-4-one|1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido1,2- a1,5diazocin-8-one|8-oxo-1,5,6,8-tetrahydro-2H,4H-1,5-methanopyrido1,2-a1,5diazocine|1,2,3,4,5,6-Hexahydro-1,5-methano-8H-pyrido1,2-a1,5diazocin-8-one, (1R)-| |
| Oleanonic Acid |
natural product |
Scrophularia ningpoensis|Liquidambar formosana|Lantana camara|Ficus microcarpa|Ixora coccinea|Halorosellinia oceanica|Uncaria rhynchophylla|Liquidambar orientalis|Uncaria sinensis|Oleum storax|Ziziphus jujuba|Vaccaria hispanica|Resina liquidambaris|Malus sieboldii|Bidens frondosa|Daedalea dickinsii|Lasioderma serricorne|Xyris semifuscata|Pedicularis plicata|Diphylleia grayi|Halictus sexcinctus|Diospyros dendo|Schefflera heptaphylla|Narcissus cantabricus|Orontium japonicum|Umbilicaria spodochroa|Andropogon laniger|Stephania hispidula|Zanthoxylum zanthoxyloides|Primula veris|Ilex latifolia|Peltigera venosa|Rabdosia flexicaulis|Baccharis sarothroides|Micranthes stellaris|Myristica dactyloides|Capparis flavicans|Ipomoea hederacea|Oxytropis pseudoglandulosa|Primnoa resedaeformis|junellia tridens|Xylosalsola richteri|Jujubae fructus|Balanocarpus zeylanicus|Styrax|Narcissus tazetta|Sonchus gummifer|Hedysarum alpinum|Styrax benzoin|Solanum tuberosum|Mentha javanica|Styrax tonkinensis|Scaphechinus mirabilis|Uncaria macrophylla |
Glycogen phosphorylase, muscle form - Oryctolagus cuniculus | Protein-tyrosine phosphatase 1B - Homo sapiens | T-cell protein-tyrosine phosphatase - Homo sapiens |Org= Hepatitis C virus | Helicobacter pylori | Human immunodeficiency virus 1 |
Dis=Bladder Cancer|Bladder carcinoma|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Cervical Carcinoma Papilloma |Chronic Myelogenous Leukemia|Ehrlich Ascites Carcinoma (EAC)|Head and Neck Cancers|Nasopharyngeal carcinoma|Melanoma|malignant melanoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Org=Hepatitis C virus | Helicobacter pylori | Human immunodeficiency virus 1 |
3D viewer |
Pubchem |
|
12313704 |
17990-42-0 |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1)C)C(=O)O)C |
FMIMFCRXYXVFTA-FUAOEXFOSA-N |
454.34000 |
C30H46O3 |
2.6995 |
3 |
1 |
54.37 |
9.0 |
33 |
5 |
Synthesis and evaluation of potential complement inhibitory semisynthetic analogs of oleanolic acid.|Pentacyclic triterpenes. Part 3: Synthesis and biological evaluation of oleanolic acid derivatives as novel inhibitors of glycogen phosphorylase.|Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies.|Oleanolic acid and its derivatives: new inhibitor of protein tyrosine phosphatase 1B with cellular activities.|Triterpenoids from the leaves of Diospyros kaki (persimmon) and their inhibitory effects on protein tyrosine phosphatase 1B.|Synthesis and evaluation of a novel series of heterocyclic oleanolic acid derivatives with anti-osteoclast formation activity. |
oleanonic acid|17990-42-0|3-oxo-olean-12-en-28-oic acid|Olean-12-en-28-oic acid, 3-oxo-|CHEMBL470029|Olean-12-en-28-oicacid, 3-oxo-|3-OXOOLEANOLIC ACID|SCHEMBL246220|3-Oxo-olean-12-en28-saure|MolPort-020-005-912|BCP15429|HY-N1487|8016AH|BDBM50346613|ZINC13558220|AKOS032948921|CS-5795|4CN-2712|SC-98263|Oleanonic acid/3-Oxo-olean-12-en-28-oic acid|990O420|Q-100212|6785-78-0| |
| Deoxytopsentin |
natural product |
Spongosorites spp|spongosorites sp. |
Sortase - Staphylococcus aureus |Org= Staphylococcus aureus |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|Breast Cancer|Breast Carcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Org=Staphylococcus aureus |
3D viewer |
Pubchem |
|
183527 |
112515-42-1 |
C1=CC=C2C(=C1)C(=CN2)C3=CN=C(N3)C(=O)C4=CNC5=CC=CC=C54 |
OBDUUEITYHUFCW-UHFFFAOYSA-N |
326.12000 |
C20H14N4O |
-1.525 |
5 |
3 |
77.33 |
3.0 |
25 |
5 |
Bis(indole) alkaloids as sortase A inhibitors from the sponge Spongosorites sp.|Synthetic analogues of the marine bisindole deoxytopsentin: potent selective inhibitors of MRSA pyruvate kinase.|New Thiazole Nortopsentin Analogues Inhibit Bacterial Biofilm Formation. |
Deoxytopsentin|Topsentin A|112515-42-1|Deoxytopsentine|NSC 623150|AC1L4D2T|CHEMBL372191|SCHEMBL17243841|SCHEMBL17537642|DTXSID70150086|NSC623150|ZINC14768202|NSC-623150|1H-indol-3-yl-5-(1H-indol-3-yl)-1H-imidazol-2-ylmethanone|Methanone, 1H-indol-3-yl(5-(1H-indol-3-yl)-1H-imidazol-2-yl)-| |
| Ludongnin A |
natural product |
Isodon rubescens|Isodon rubescens var. lushiensis |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia |
3D viewer |
Pubchem |
|
9975782 |
No Cas |
CC12CCCC3(C1C(=O)OC2)COC(=O)C45C3C(CC(C4)C(=C)C5=O)O |
HXTZXDWMLRAQTL-VWGMWKOWSA-N |
360.16000 |
C20H24O6 |
-1.0571 |
6 |
1 |
89.90 |
2.0 |
26 |
5 |
|
|
| (-)-Gallocatechin |
natural product |
Diospyros kaki|Myrica rubra|Acacia adunca|Ginkgo biloba|Goniothalamus malayanus|Anacystis montana|Humulus lupulus|Annona cornifolia|Viguiera incana|Helipterum roseum|Morus alba|Rauvolfia vomitoria|Cephalaria uralensis|Fallopia multiflora|Gnetum latifolium|Solanum laxum|Punica granatum|Geranium sylvaticum|Laurencia spectabilis|Spatholobus suberectus|Vitex negundo|Pseudoalteromonas luteoviolacea|Premna odorata|Adiantum lunulatum|Cotyledon secunda|Dicoma capensis|Sabina sargentii|Artemisia assoana|Phoebe pittieri|Haliclona mucosa|Bishovia boliviensis|Cladonia fallax|Artemisia carvifolia|Hedysarum connatum|Amathia pinnata|Pastinaca sativa|Ipomoea digitata|Swertia franchetiana|Naucleopsis ternstroemiiflora|Scutellaria amoena|Polysiphonia elongata|Alstonia spathulata|Astragalus sempervirens|Calostephane divaricata|Rumex maritimus|Haplophyllum ferganicum|Vaccinium oxycoccos|Leathesia nana|Caragana aurantiaca|Zanthoxylum tetraspermum|Asterospicularia laurae|Callicarpa maingayi|Sonchus ortunoi|Cylindrospermopsis raciborskii|Dumortiera hirsuta|Lepisorus ussuriensis|Drechslera avenae|Chrysothamnus parryi|Aglaia laxiflora|Eucalyptus melliodora|Lysimachia mauritiana|Marrubium anisodon|Hypericum laricifolium|Chaenomeles sinensis|Salvia syriaca|Encyothalia cliftonii|Peltostigma guatemalense|Streptomyces avermitilis|Crotalaria aegyptiaca|Ircinia spinosula|Euphorbia turczaninowii|Styrax ferrugineus|Wikstroemia retusa|Vitis vinifera|Digitalis isabelliana|Radix sanguisorbae|Penicillium alutaceum|Ampelopsis japonica|Vincetoxicum hirundinaria|Hoveniae dulcis semen|Scopolia hladnikiana|Senegalia catechu|Blastochloris viridis|Apocynum venetum|Sinularia depressa|Nasutitermes ephratae|Pteris radiata |
Path=ODC1 pathway|Glucose-6-phosphate 1-dehydrogenase - Saccharomyces cerevisiae S288c |Org= Plasmodium falciparum |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Basophilic Leukemia|Gen=Others |
3D viewer |
Pubchem |
1JNQ |
9882981 |
3371-27-5 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O |
XMOCLSLCDHWDHP-DOMZBBRYSA-N |
306.07000 |
C15H14O7 |
-2.9543 |
1 |
6 |
130.61 |
7.0 |
22 |
3 |
|
(-)-Gallocatechin|3371-27-5|(2S,3R)-2-(3,4,5-Trihydroxyphenyl)chroman-3,5,7-triol|(2S,3R)-gallocatechin|ent-gallocatechin|CHEBI:71225|(2S,3R)-flavan-3,3',4',5,5',7-hexol|(2S,3R)-flavan-3,5,7,3',4',5'-hexol|(2S,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol|(2S,3R)-(-)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol|GallocatechinGC|l-Gallocatechin|C15H14O7|(-)-Gallocatechol|Gallocatechin (GC)|(2S,3R)-2-(3,4,5-Trihydroxyphenyl)-chroman-3,5,7-triol|CHEMBL264167|SCHEMBL1742127|CTK8C1347|DTXSID10432358|(2S,3R)-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol|MolPort-003-941-524|ZINC3870337|3961AB|ANW-66312|BDBM50373220|MFCD01632616|AKOS015902103|(-)-Gallocatechin, analytical standard|RTR-014071|(-)-Gallocatechin, >=98% (HPLC)|AJ-46335|AK-64755|SC-95647|AX8215155|FT-0082014|FT-0626602|N1872|ST24034088|371G275|J-500978|Q-100410|I14-13383|(2R,3S)-2-(3,4,5-trihydroxy-phenyl)chroman-3,5,7-triol| |
| Gallocatechin |
natural product |
Diospyros kaki|Myrica rubra|Excoecaria agallocha|Penicillium kapuscinskii|Nuphar lutea|Pluchea odorata|Scrophularia umbrosa|Salvia yosgadensis|Mitragyna inermis|Alcea rosea|Alangium grisolleoides|Goniothalamus amuyon|Annella reticulata|Zephyranthes sulphurea|Hylocomium splendens|Naja kaouthia|Dimorphotheca aurantiaca|Vateria indica|Ichthyothere latifolia|Abedus herberti|Eleutherobia albiflora|Streptoalloteichus hindustanus|green tea|Artemisia incanescens|Viburnum urceolatum|Monodora tenuifolia|Viguiera oblongifolia|Petasites georgicus|Stocksia brahuica|Gardenia turgida|Sideroxylon cubense|Kokoona reflexa|Aonidiella aurantii|Combretum quadrangulare|Salvia parryi|Rhodococcus fascians|Artemisia schimperi|Perriera orientalis|Phoenix loureiroi|Macrothele gigas|Aldisa sanguinea|Maytenus retusa|Thymus vulgaris|Hypoxylon tinctor|Fagus grandifolia|Alpinia blepharocalyx|Alyxia reinwardtii|Strychnos erichsonii|Arum alpinum|Thalictrum longistylum|Sabal blackburniana|Millettia laurentii|Vitellaria paradoxa|Othonna dentata|Aplysina archeri|Elephantopus mollis|Melolontha melolontha|Tripterygii radix|Helianthus maximiliani|Cassia kleinii|Maesa ramentacea|Quercus robur|Radix rhei et rhizome|Micarea austroternaria|Iris ensata|Psoroma pallidum|Macrolepiota neomastoidea|Lachnophyllum gossypinum|Pinus sylvestris|Euphorbia cornigera|Dermolepida albohirtum|Streptomyces xanthochromogenes|Ribes fasciculatum var. chinense|Stauranthus perforatus|Eucalyptus jenseni|Magnolia biloba|Phyllanthi fructus|Limonium gmelinii|Ginkgo biloba|Sapindus emarginatus|Leucopaxillus gentianeus|Pteris cretica var. nervosa|Astraeus pteridis|Xyris pterygoblephara|Hoveniae dulcis semen|Salacia lehmbachii|Phyllanthus emblica|Aspergillus carneus|Penicillium janczewskii|Senegalia catechu|Viguiera decurrens|Aplysia parvula|Sideritis brevibracteata|Boletus pini|Apocynum venetum|Neorautanenia ficifolia|Areca catechu|Chromodoris lochi|Uvaria griffithii|Cryptocarya alba|Piptocarpha oblonga|Portulaca oleracea|Stereospermum cylindricum|Alcyonium utinomii|Keiferia lycopersicella|Humulus lupulus|Pseudoplexaura flagellosa|Acacia mearnsii|Camellia sinensis|Gomortega keule|Rubritalea squalenifaciens|Turpinia ternata|Morus alba|Holomelina lamae|Araiostegiella perdurans|Balanops australiana|Agrobacterium tumefaciens|Fallopia multiflora|Atylosia trinervia|Swertia pseudochinensis|Dendrodoris tuberculosa|Tridachia crispata|Oscillochloris trichoides|Punica granatum|Cneoridium dumosum|Felicia wrightii|Caloboletus calopus|Meryta lanceolata|Spatholobus suberectus|Centaurea linifolia|Ageratina dendroides|Helichrysum cymosum|Solanum sublobatum|Cyperus papyrus|Streptomyces thermoviolaceus|Pseudofumaria lutea|Litsea lancifolia|Microtropis fokienensis|Euonymus tingens|Vitex negundo|Bacillus subtilis|Pinus strobus|Euryops algoensis|Serratula inermis|Ocimum tenuiflorum|Anguilla japonica|Paramecium tetraurelia|Acanthospermum glabratum|Gardenia jasminoides|Conoideocrella luteorostrata|Picea mariana|Aspergillus striatus|Cortinarius odoratus|Elysia ornata|Cornus kousa|Gymnopus confluens|Capnoides sempervirens|Sinularia facile|Mentha gattefossei|Ectyoplasia ferox|Aspidosperma olivaceum|Brevibacterium linens|Bromelia plumieri|Machilus macrantha|Nototodarus sloanii|Litsea pungens |
Path=ODC1 pathway|Glucose-6-phosphate 1-dehydrogenase - Saccharomyces cerevisiae S288c |Org= Plasmodium falciparum|Beta-secretase 1 - Homo sapiens | Cyclooxygenase-2 - Homo sapiens | Cyclooxygenase-1 - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Basophilic Leukemia|Gen=Others |
3D viewer |
Pubchem |
1JNQ |
65084 |
970-73-0 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O |
XMOCLSLCDHWDHP-SWLSCSKDSA-N |
306.07000 |
C15H14O7 |
-2.9543 |
1 |
6 |
130.61 |
7.0 |
22 |
3 |
[The inhibitory effects of catechin derivatives on the activities of human immunodeficiency virus reverse transcriptase and DNA polymerases].|Protease inhibitors prevent the development of human rotavirus-induced diarrhea in suckling mice.|Inhibitory effect of flavonoids on DNA-dependent DNA and RNA polymerases.|Effects of green tea and black tea on 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone bioactivation, DNA methylation, and lung tumorigenesis in A/J mice.|Effects of catechins on the mouse lung carcinoma cell adhesion to the endothelial cells.|Green tea catechins such as (-)-epicatechin and (-)-epigallocatechin accelerate Cu2+-induced low density lipoprotein oxidation in propagation phase. |
Gallocatechin|(+)-Gallocatechin|Gallocatechol|970-73-0|(+)-gallocatechol|d-Gallocatechin|UNII-HEJ6575V1X|(2R,3S)-gallocatechin|1617-55-6|CHEMBL125743|HEJ6575V1X|CHEBI:31018|(2R,3S)-2-(3,4,5-trihydroxyphenyl)chromane-3,5,7-triol|dl-Gallocatechin|(2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol|(+-)-Gallocatechin|(+-)-Gallocatechol|Gallocatechol, (+-)-|Casuarin|C15H14O7|NSC674038|NSC 674038|AC1L22K1|MEGxp0_000240|SCHEMBL3872234|(2R,3S)-(+)-gallocatechin|ACon1_000994|CHEBI:68330|MolPort-001-740-421|13425-13-3|ZINC3870338|BDBM50135165|LMPK12020002|AKOS022180463|ACN-047610|MCULE-4522193885|NSC-674038|2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R-trans)-|NCGC00169777-01|4CN-1069|AJ-46336|NCI60_026203|FT-0604423|FT-0770916|W1563|C12127|(2R,3S)-flavan-3,3',4',5,5',7-hexol|(2R,3S)-flavan-3,5,7,3',4',5'-hexol|(+)-trans-3,3',4',5,5',7-Hexahydroxyflavan|I14-20054|(2R,3S)-2-(3,4,5-Trihydroxy-phenyl)-chroman-3,5,7-triol|(2R,3S)-2-(3,4,5-Trihydroxy-phenyl)-1-benzopyran-3,5,7-triol|(2R*,3S*)- 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol|(2R*,3S*)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol|2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R,3S)-rel-|2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, trans-(+-)-|2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-,(2R,3S)-|2H-1-Benzopyran-3,5,7-triol,3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R,3S)-|2H-1-Benzopyran-3,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R-trans-)|rel-(2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol|24987-87-9|4-{1-Butyl-9-1-(4,6-dimethyl-pyrimidine-5-carbonyl)-4-methyl-piperidin-4-yl-2-oxo-3,0-diaza-spiro5.5undec-3-ylmethyl}-piperidine-1-carboxylic acid methyl ester|528-54-1| |
| Hamacanthin B |
natural product |
Spongosorites spp|spongosorites sp.|hamacantha sp.|Hamacantha |
Org=Bacillus subtilis | Candida albicans |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Org=Bacillus subtilis | Candida albicans |
3D viewer |
Pubchem |
|
188235 |
160098-93-1 |
C1C(N=C(C(=O)N1)C2=CNC3=C2C=CC(=C3)Br)C4=CNC5=C4C=CC(=C5)Br |
MYXLDFYXMNSXDR-GOSISDBHSA-N |
483.95000 |
C20H14Br2N4O |
0.0455 |
5 |
3 |
73.04 |
4.0 |
27 |
5 |
Hamacanthins A and B, new antifungal bis indole alkaloids from the deep-water marine sponge, Hamacantha sp. |
Hamacanthine B|Hamacanthin B|160098-93-1|CHEBI:66001|(5S)-3,5-Bis(6-bromo-1H-indol-3-yl)-5,6-dihydro-2(1H)-pyrazinone|(+)-HamacanthinB|AC1L4MFL|(5s)-3,5-bis(6-bromo-1h-indol-3-yl)-5,6-dihydropyrazin-2(1h)-one|AC1Q25XV|CHEMBL219868|CTK4D0324|DTXSID20166798|(3S)-3,5-bis(6-bromo-1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one|2(1H)-Pyrazinone, 3,5-bis(6-bromo-1H-indol-3-yl)-5,6-dihydro-, (5S)-|2(1H)-Pyrazinone,3,5-bis(6-bromo-1H-indol-3-yl)-5,6-dihydro-, (5S)-| |
| Tectorigenin |
natural product |
Pueraria thunbergiana|Dalbergia parviflora|Iris tectorum|Belamcanda chinensis|Perophora namei|Fomes fastuosus|Vitex limonifolia|Iris kumaonensis|Schumanniophyton magnificum|Fumaria indica|Bassia scoparia|Pueraria montana var. lobata|Amorphinopsis foetida|Roemeria carica|Pueraria montana var. thomsonii|Fuligo candida|Mori cortex|Ononis spinosa|Iris dichotoma|Codonopsis radix|Puerariae flos|Plectranthus nummularius|Iridis tectori rhizoma|Iris domestica|Belamcandae rhizome|Dalbergia riparia|Iris germanica|Delphinium barbeyi|Lignum dalbergiae odoriferae rosewood|Dalbergia sp.|Dalbergia sp|Lantana camara|Aspidosperma megalocarpon|Thenea muricata|Eichhornia crassipes|Nocardiopsaceae|Echium rubrum|Bertya dimerostigma|Senecio triangularis|Entada polystachya|Asterias rathbuni|Dioscorea gracillima|Iberis sempervirens|Hendersonula toruloidea|Astragalus wiedemannianus|Pteris setuloso-costulata|Entada africana|Thiocystis gelatinosa|Pseuduvaria indochinensis|Monomeria barbata|Choriaster granulatus |
Path=BCL2 pathway|PTK activity|Xanthine dehydrogenase - Bos taurus | Epidermal growth factor receptor erbB1 - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Melanoma|Amelanotic melanoma|Non-small Cell Lung Cancer|large cell carcinoma|Skin Cancer|Skin Epidermoid Carcinoma |
3D viewer |
Pubchem |
|
5281811 |
548-77-6 |
COC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)O |
OBBCRPUNCUPUOS-UHFFFAOYSA-N |
300.06000 |
C16H12O6 |
-2.0994 |
1 |
3 |
96.22 |
6.0 |
22 |
3 |
Inhibition by tectorigenin and tectoridin of prostaglandin E2 production and cyclooxygenase-2 induction in rat peritoneal macrophages.|In vitro anti-Helicobacter pylori activity of irisolidone isolated from the flowers and rhizomes of Pueraria thunbergiana.|Interaction of phytoestrogens with estrogen receptors alpha and beta (II).|Effects of naturally occurring isoflavones on prostaglandin E2 production.|Isoflavonoids from the rhizomes of Belamcanda chinensis and their effects on aldose reductase and sorbitol accumulation in streptozotocin induced diabetic rat tissues.|Beta-glucuronidase inhibitor tectorigenin isolated from the flower of Pueraria thunbergiana protects carbon tetrachloride-induced liver injury. |
Tectorigenin|548-77-6|Tectorigenine|5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one|4',5,7-Trihydroxy-6-methoxyisoflavone|UNII-855130H9CO|K 251T|4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-|5,7,4'-Trihydroxy-6-methoxyisoflavone|BRN 0305601|CHEBI:9429|CHEMBL242740|855130H9CO|5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one|ISOFLAVONE, 4',5,7-TRIHYDROXY-6-METHOXY-|Q-100619|Spectrum_000761|SpecPlus_000145|AC1NQZ4T|KBioSS_001241|5-18-05-00311 (Beilstein Handbook Reference)|DivK1c_006241|SCHEMBL351641|GTPL9738|KBio1_001185|KBio2_001241|KBio2_003809|KBio2_006377|Tectorigenin, analytical standard|DTXSID50203286|MolPort-003-665-854|ZINC899915|HY-N0792|5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one|BDBM50241222|LMPK12050385|AKOS015897084|MCULE-2089260732|4',5',7-trihydroxy-6-methoxyisoflavone|4CN-1307|AJ-24294|AK119808|AN-45829|LS-84477|AX8245224|CS-0009804|FT-0688353|N1647|Y0198|C10534|548T776|I07-0272|5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-chromen-4-one|NCGC00385060-01!5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one| |
| Sinularolide C |
natural product |
Lobophytum crassum|Sinularia gibberosa |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
11473507 |
No Cas |
CC1=CCCC2(C(O2)CC3C(C(C(=CCC1)C)O)OC(=O)C3=C)CO |
MULWDJOXRRXULO-XJFSRSTNSA-N |
348.19000 |
C20H28O5 |
1.5287 |
5 |
2 |
79.29 |
5.0 |
25 |
3 |
|
|
| Hederagenin |
natural product |
Kalopanax pictus|Paeonia rockii|Arisaema erubescens|Malus sieboldii|Cissus quinquefolia|Akebia quinata|Acacia aulacocarpa|Ipomoea hederacea|Sapindus mukorossi|Akebia trifoliata|Caltha polypetala|Cistanche tubulosa|Streptomyces blastmyceticus|Boehmeria nivea|Strongylosoma tambanum|Heliomeris multiflora|Cryptocarya aschersoniana|Helwingia japonica|Neolentinus lepideus|Nephelium lappaceum|Lonicera confusa|Clematis angustifolia|Streptomyces netropsis|Lonicera fulvotomentosa|Astragalus trigonus|Hylocereus undatus|Sonchus gummifer|Lonicera hypoglauca|Ligularia dentata|Lonicera japonica|Guatteria boliviana|Lonicera macranthoides|Peperomia amplexicaulis|Psiadia dentata|Andropogon laniger|Nigella glandulifera|Lobelia radicans|Spirographis spallanzani|Parochetus communis|Paeonia lactiflora|Phlomis umbrosa|Walsura chrysogyne|Plectranthus sylvestris|Rabdosia flexicaulis|Stachyurus chinensis|Pteris cristata|Stephania hispidula|Arthrobotrys oligospora|Stachyurus himalaicus|Pteris australis|Senecio sinuatus|Et radix patriniae rhizoma|Aspidosperma subincanum|Plinia cauliflora|Aphloia theiformis|Caulis akebiae|Dipsaci radix|Canarium album|Plantago cornuti|Penicillium viridicatum|Cortex periplocae radicis|Anemone flaccida|Pulsatilla chinensis|Ardisia neriifolia|Boehmeriae rhizoma et radix|Umbilicaria spodochroa|Micranthes stellaris|Paeoniae radix alba|Fritillaria thunbergii|Aristolochia manshuriensis|Rosa laevigata|Pulsatilliae radix|Casimiroa tetrameria|Peritassa compta|Gynura bicolor|Rhizoma anemones raddeanae|Eupatorium argentinum|Campsis grandiflora|Triopha carpenteri|Campsis flos|Capparis flavicans|Rhaponticum carthamoides|Rheedia acuminata|Xylosalsola richteri|Lonicerae japonicae flos|Vatica cinerea|Tephrosia egregia|Rosae laevigatae fructus|Ilex hainanensis|Vaccaria hispanica|Clematidis armandii caulis|Morus rubra|Patrinia scabiosaefolia|Oxytropis pseudoglandulosa|Dipsacus asperoides|Tulipa sylvestris|Stenomesson miniatum|Zanthoxylum rigidifolium|Colchicum speciosum|Sapindi mukorossi semen|Fagara zanthoxyloides|Xylopia brasiliensis|Symphyocladia latiuscula|Sapindi mukorossiperic arpium|Sideritis nutans|Uncaria guianensis|Jamesonia scammaniae|Radix clematidis|Melicope sarcococca|Xyris semifuscata|Peltigera venosa|Asteris radix et rhizoma|Scaphechinus mirabilis|Pedicularis plicata|Salvia palaestina|Gardeniae fructus|Bryum weigelii|Juniperus brevifolia|Lasioderma serricorne|Akebiae frucyus|Baccharis sarothroides |
Gen=Others|Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Quinone reductase 1) - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens |Org= Hepatitis C virus |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Gen=Others |
3D viewer |
Pubchem |
|
73299 |
465-99-6 |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1)C)C(=O)O)C |
PGOYMURMZNDHNS-MYPRUECHSA-N |
472.36000 |
C30H48O4 |
1.0391 |
4 |
3 |
77.76 |
11.0 |
34 |
5 |
Essential moiety for antimutagenic and cytotoxic activity of hederagenin monodesmosides and bisdesmosides isolated from the stem bark of Kalopanax pictus.|Antifungal activity of modified hederagenin glycosides from the leaves of Kalopanax pictum var. chinense.|Antinociceptive and anti-inflammatory effects of the saponin and sapogenins obtained from the stem of Akebia quinata.|Alpha-hederin, but not hederacoside C and hederagenin from Hedera helix, affects the binding behavior, dynamics, and regulation of beta 2-adrenergic receptors.|Akebia saponin D, a saponin component from Dipsacus asper Wall, protects PC 12 cells against amyloid-beta induced cytotoxicity.|Triterpene saponins from Clematis chinensis and their potential anti-inflammatory activity. |
Hederagenin|465-99-6|Caulosapogenin|Hederagenol|Hederagenic acid|Astrantiagenin E|4-epi-hederagenin|NSC 24954|(3beta,4alpha)-3,23-Dihydroxyolean-12-en-28-oic acid|UNII-RQF57J8212|EINECS 207-369-9|CHEBI:69579|RQF57J8212|(3-beta,4-alpha)-3,23-Dihydroxyolean-12-en-28-oic acid|(3beta)-3,23-dihydroxyolean-12-en-28-oic acid|(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid|Olean-12-en-28-oic acid, 3,23-dihydroxy-, (3-beta,4-alpha)-|Olean-12-en-28-oic acid, 3-beta,23-dihydroxy- (6CI,7CI,8CI)|Hederagenine|Hederagenin,(S)|AC1L2JMD|SCHEMBL359809|CHEMBL486400|CTK8F0878|Hederagenin, >=97% (HPLC)|MolPort-006-111-348|HY-N0256|NSC24954|ZINC3946009|BDBM50442880|NSC-24954|AKOS016036289|ACN-035196|AN-8472|CS-5454|EBD2184698|LS-98291|SC-86358|Olean-12-en-28-oic acid,23-dihydroxy-|TR-031957|N1306|V1553|465H996|Olean-12-en-28-oic acid, 3beta,23-dihydroxy-|Q-100493|3beta,4alpha-3,23-Dihydroxyolean-12-en-28-oic Acid|(3|A,4|A)-3,23-Dihydroxy-olean-12-en-28-oic Acid|Olean-12-en-28-oic acid, 3beta,23-dihydroxy- (8CI)|Olean-12-en-28-oic acid, 3,23-dihydroxy-, (3b,4a)-|Olean-12-en-28-oic acid, 3,23-dihydroxy-, (3beta,4alpha)-|Olean-12-en-28-oic acid,23-dihydroxy-, (3.beta.,4.alpha.)-|Olean-12-en-28-oic acid, 3,23-dihydroxy-, (3beta,4alpha)- (9CI)|(4AS,6AS,6BR,8AR,9R,10S,12AR,12BR,14BS)-10-HYDROXY-9-(HYDROXYMETHYL)-2,2,6A,6B,9,12A-HEXAMETHYL-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-ICOSAHYDROPICENE-4A-CARBOXYLIC ACID|(4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid| |
| Silvestrol |
natural product |
Aglaia silvestris|Aglaia foveolata|Aglaia leptantha |
Path=CCNA2 pathway|TP53 pathway|ATF1 pathway|ATF2 pathway|ATF3 pathway|ATF5 pathway|BAK1 pathway|BCL2L1 pathway|CASP10 pathway|CASP2 pathway|CASP4 pathway|CASP9 pathway|CDKN1A pathway|E2F1 pathway|E2F2 pathway|EP300 pathway|GADD45B pathway|GAS1 pathway|Eukaryotic initiation factor 4A-I - Homo sapiens | Nuclear factor NF-kappa-B p65 subunit - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Breast Cancer|Ductal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Prostate Cancer|Prostate Adenocarcinoma|Breast Cancer |
3D viewer |
Pubchem |
|
11787114 |
697235-38-4 |
COC1C(OC(CO1)C(CO)O)OC2=CC(=C3C(=C2)OC4(C3(C(C(C4C5=CC=CC=C5)C(=O)OC)O)O)C6=CC=C(C=C6)OC)OC |
GVKXFVCXBFGBCD-QKDMMWSPSA-N |
654.23000 |
C34H38O13 |
-3.3108 |
9 |
4 |
171.83 |
19.0 |
47 |
6 |
Synergistic effect of inhibiting translation initiation in combination with cytotoxic agents in acute myelogenous leukemia cells.|Potential of plant-derived natural products in the treatment of leukemia and lymphoma.|Inhibitors of translation initiation as cancer therapeutics.|Resistance to the translation initiation inhibitor silvestrol is mediated by ABCB1/P-glycoprotein overexpression in acute lymphoblastic leukemia cells.|Targeted cancer therapy: what if the driver is just a messenger?|Synthesis of rocaglamide hydroxamates and related compounds as eukaryotic translation inhibitors: synthetic and biological studies. |
silvestrol|(-)-silvestrol|697235-38-4|CHEMBL555196|CHEBI:66484|SCHEMBL732092|BDBM50335583|ZINC95099283|AKOS027326751|CS-0543|HY-13251|W-5928|(1R,2R,3S,3aR,8bS)-6-(2S,3R,6R)-6-(1R)-1,2-Dihydroxyethyl-3-methoxy-1,4-dioxan-2-yloxy-2,3,3a,8b-tetrahydro-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-1H-cyclopentabbenzofuran-2-carboxylic acid methyl ester|methyl (1R,2R,3S,3aR,8bS)-6-({(2S,3R,6R)-6-(1R)-1,2-dihydroxyethyl-3-methoxy-1,4-dioxan-2-yl}oxy)-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3,3a,8b-tetrahydro-1H-benzobcyclopentadfuran-2-carboxylate| |
| (-)-Epigallocatechin Gallate |
bioactive compound |
Diospyros kaki|Myrica rubra|Camellia sinensis|Prunus persica|Punica granatum|Ampelopsis japonica|Rhodiola rosea|Eriobotrya japonica|Morus alba|Ardisia japonica|Portulaca oleracea|Paeonia lactiflora| |
Path=ODC1 pathway|ABCG2 pathway|BCL2 pathway|BAX pathway|CASP3 pathway|PARP1 pathway|AR pathway|PSA pathway|N/A|CDK4 pathway|PCNA pathway|Gen=DNA Methyltransferase,HER2,Telomerase,EGFR,Fatty Acid Synthase|15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Arachidonate 15-lipoxygenase - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Histone acetyltransferase GCN5 - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Vitamin D receptor - Homo sapiens | DNA polymerase kappa - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | HERG - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Galactokinase - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis|Beta-secretase 1 - Homo sapiens|Beta-secretase 1 - Homo sapiens | Fucosyltransferase 4 - Homo sapiens | CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase - Homo sapiens | Alpha-(1,3)-fucosyltransferase 7 - Homo sapiens|Hepatocyte growth factor receptor - Homo sapiens | 3-oxoacyl-acyl-carrier protein reductase - Plasmodium falciparum | 6-phosphogluconate dehydrogenase - Homo sapiens | Glucose-6-phosphate 1-dehydrogenase - Saccharomyces cerevisiae S288c | Apoptosis regulator Bcl-2 - Homo sapiens | Heat shock protein HSP 90-beta - Homo sapiens | Enoyl-acyl-carrier protein reductase - Plasmodium falciparum | Fatty acid synthase - Plasmodium falciparum |Org= Rattus norvegicus | Human herpesvirus 1 | Plasmodium falciparum | Human immunodeficiency virus 1 |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Basophilic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|Uterine Neoplasms|leiomyoma|Gen=DNA Damage |
3D viewer |
Pubchem |
4E1A 4KQR 4KQK 4KQO |
65064 |
989-51-5 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
|
458.37000 |
C22H18O11 |
3.097 |
3 |
8 |
197.00 |
4.0 |
33 |
4 |
(-)-Epigallocatechin Gallate(EGCG) is the main catechin extraction of green tea that inhibits telomerase and DNA methyltransferase. EGCG blocks the activation of EGF receptors and HER-2 receptors. ECGG inhibits fatty acid synthase and glutamate dehydrogenase activity. |
EGCG |
| 3-(4-Hydroxy-3-Methoxyphenyl)Prop-2-Enoic Acid |
natural product |
Plantago major|Angelica sinensis|Pygeum africanum|Varronia linnaei|Woodwardia prolifera|Acacia linarioides|Chondria californica|Planchonia grandis|Pecten irradians|Robinia pseudoacacia|Millettia thonningii|Stenolobium stans|Gaertnera morindoides|Siphonaria capensis|Libanothamnus occultus|Asimina parviflora|Halichondria melanadocia|Asparagus africanus|Clerodendrum bungei|Calea subcordata|Lucilia caesar|Chondrodendron tomentosum|Baphia bancoensis|Ericerus pela|Hypericum androsaemum|Mucor globosus|Embelia schimperi|Cyathocline lyrata|Malassezia furfur|Pteridium esculentum|Protea roupelliae|Ligularia anoleuca|Epilobium hirsutum|Solanum aculeatissimum|Abelia chinensis|Orobanche speciosa|Aquilegia viridiflora|Brombya platynema|Senecio ruwenzoriensis|Annulohypoxylon cohaerens|Centaurea maculosa|Phenax angustifolius|Daphne feddei|Rhinella marina|Cerbera odollam|Myrciaria dubia|Sasa paniculata|Veronica virginica|Piptadenia colubrina|Veronica orientalis|Astragalus kabadianus|Monsonia senegalensis|Tripterospermum lanceolatum|Cryptosporium pinicola|Trichilia havanensis|Planococcus citri|Neocosmospora tenuicristata|Parmelia tinctina|Gardenia lucida|Potentilla candicans|Streptomyces flaveus|Diospyros morrisiana|Helichrysum tenuifolium|Vernonia fagifolia|Shigella dysenteriae|Lycogala epidendrum|Dendronephthya griffini|Veronica liwanensis|Atraphaxis spinosa|Kiggelaria africana|Embelia parviflora|Ponera metallica|Briareum violacea|Conus mus|Gymnocalycium schickendantzii|Cordia leucocephala|Ephedra sinica|Camellia sinensis|Vachellia leucophloea|Jaborosa leucotricha|Pyrobaculum organotrophum|Sedum forsteri|Thorectandra excavatus|Hedychium coronarium|Piper regnellii|Myxococcus stipitatus|Populus angustifolia|Haplophyllum obtusifolium|Celastrus dispermus|Rhamnus cathartica|Pancratium sickenbergeri|Perymenium jelskii|Syzygium polycephaloides|Simarouba glauca|Nothofagus dombeyi|Aplophyllum alberti-regelii|Eucalyptus occidentalis|Diospyros assimilis|Gyrostroma missouriense|Faramea salicifolia|Viburnum betulifolium|Exochomus quadripustulatus|Onopordum acanthium|Spongionella gracilis|Penstemon newberryi|Coelogyne flavida|Idea leuconoe|Ophelia neglecta|Ochna obtusata|Rhamnus formosana|Bacillus amyloliquefaciens|Oxylobus oaxacanus|Plathymenia reticulata|Guettarda noumeana|Lemaireocereus longispinus|Prunus mahaleb|Erythrina melanacantha|Guadua angustifolia|Thermococcus kodakarensis|Lippia adoensis|Lupinus luteus|Senna didymobotrya|Ekebergia senegalensis|Balsamorhiza hookeri|Latrunculia magnifica|Morella rubra|Solanum chilense|Chalciporus piperatus|Kadsura interior|Morinda morindoides|Baccharis neglecta|Streptomyces pseudovenezuelae|Euphorbia nematocypha|Ilyonectria destructans|Asterococcus muratae|Gnetum pendulum|Lasiosiphon kraussianus|Spiraea formosana|Dolabella californica|Eria anomala|Hypericum styphelioides|Strychnos wallichiana|Siphonochilus aethiopicus|Vellozia nanuzae|Theonella conica|Ceramaster patagonicus|Cichorium endivia|Pajanelia multijuga|Salix acutifolia|Clinopodium gracile|Cochlospermum planchoni|Hexagonia speciosa|Strychnos elaeocarpa|Erysimum leptophyllum|Sophora flavescens|Esenbeckia leiocarpa|Tricholoma columbetta|Trachyrhamphus serratus|Daphne arisanensis|Flourensia ilicifolia|Lythrum salicaria|Homalium longifolium|Xanthium strumarium |
Path=MAPK14 pathway|CCND1 pathway|ERBB2 pathway|ESR1 pathway|AKT1 pathway|MAPK3 pathway|PI3CA parhway|TFF1 pathway|AR pathway|Gen=Others |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Breast Adenocarcinoma|Chronic Myelogenous Leukemia|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|Gen=Others |
3D viewer |
Pubchem |
1JT2 3NX2 4PME 6G21 |
709 |
EINECS 214-490-0 |
COC1=C(C=CC(=C1)C=CC(=O)O)O |
KSEBMYQBYZTDHS-UHFFFAOYSA-N |
194.06000 |
C10H10O4 |
-0.3908 |
2 |
2 |
66.76 |
6.0 |
14 |
1 |
Phytochemical profiles and antioxidant activity of wheat varieties.|Structure of soybean seed coat peroxidase: a plant peroxidase with unusual stability and haem-apoprotein interactions.|Rice-bran products: phytonutrients with potential applications in preventive and clinical medicine.|Red wine polyphenols, in the absence of alcohol, reduce lipid peroxidative stress in smoking subjects.|LC/ES-MS detection of hydroxycinnamates in human plasma and urine.|Protection against beta-amyloid peptide toxicity in vivo with long-term administration of ferulic acid. |
C10H10O4|CCRIS 3256|KSEBMYQBYZTDHS-UHFFFAOYSA-N|NSC 2821|EINECS 214-490-0|NSC 51986|NSC 674320|3-(4-Hydroxy-3-methoxy-phenyl)-acrylic acid|Spectrum_001256|SpecPlus_000547|Spectrum2_001394|Spectrum3_001434|Spectrum4_001897|AC1L19UH|KBioGR_002459|KBioSS_001736|KSC178K8D|KSC598Q1L|DivK1c_006643|SPBio_001408|CHEMBL3185646|CTK0H8581|CTK4J8815|KBio1_001587|KBio2_001736|KBio2_004304|KBio2_006872|KBio3_002388|KS-00000CMW|KS-00000JGT|3-methoxy4-hydroxy cinnamic acid|4-hydroxyl-3-methoxycinnamic acid|3-methoxy-4-hydroxy cinnamic acid|3-methoxy-4-hydroxy-cinnamic acid|4-hydroxy-3-methoxy-cinnamic acid|HMS3655P22|4-Hydroxy-3-methoxy cinnammic acid|ANW-42613|ANW-51097|AKOS028109905|MCULE-6127598109|NCGC00094889-05|NCI60_002312|SY013625|3-(4-Hydroxy-3-methoxyphenyl)acrylicAcid|LS-123655|3-(4-hydroxy-3-methoxyphenyl)-acrylic acid|FT-0601239|FT-0646300|MFCD00004400 (98%)|3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid|3- (4-hydroxy-3-methoxyphenyl) -2-propenoic acid|2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (2Z)-|2-Propenoic acid,3-(4-hydroxy-3-methoxyphenyl)-, (2E)-|4-Hydroxy-3-Methoxycinnamic Acid,mixture of cis and trans| |
| Artesunate |
bioactive compound |
Artemisia annua|Artemisia apiacea |
Path=KDR pathway|VEGFA pathway|Gen=STAT|antiparasitic|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus |Org= Plasmodium berghei | Plasmodium falciparum | Plasmodium falciparum (isolate K1 / Thailand) | Plasmodium falciparum NF54 | Plasmodium vinckei petteri | Toxoplasma gondii RH | Plasmodium vivax | Plasmodium falciparum 3D7 | Trypanosoma brucei brucei | Plasmodium malariae | Plasmodium yoelii nigeriensis | Plasmodium yoelii | Fasciola hepatica | Human herpesvirus 5 strain AD169 | Schistosoma mansoni | Echinococcus multilocularis | Schistosoma japonicum|Geminin - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Huntingtin - Homo sapiens |Org= Plasmodium falciparum | Trypanosoma brucei rhodesiense | Leishmania donovani | Trypanosoma cruzi |
Dis=Acute Myeloid Leukemia|Acute Myeloid Leukemia|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Ovarian Cancer|Epithelial Ovarian Cancer |Uterine Neoplasms|Choriocarcinoma|Gen=JAK/STAT |
3D viewer |
Pubchem |
|
6917864 |
88495-63-0 |
CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC(=O)CCC(=O)O)C |
FIHJKUPKCHIPAT-AHIGJZGOSA-N |
384.42000 |
C19H28O8 |
1.845 |
7 |
0 |
101.00 |
5.0 |
27 |
3 |
Artesunate is a part of the artemisinin group of agents with an IC50 of < 5 ?M for small cell lung carcinoma cell line H69. It is a potential inhibitor of STAT-3 and exhibits selective cytotoxicity of cancer cells over normal cells in vitro A potent inhibitor of EXP1. |
WR-256283 |
| Cryptotanshinone |
bioactive compound |
Salvia miltiorrhizae |Amentotaxus yunnanensis|Picradeniopsis pringlei|Asphodeline tenuior|Rhabdia lycioides|Dioscorea communis|Notholaena dealbata|Vicia sativa|Metzgeria pubescens|Amaranthus hybr|Delphinium cyphoplectrum|Ritterella rubra|Euphorbia sancta|Decachaeta ovatifolia|Bothriocline longipes|Glycyrrhiza triphylla|Agathosma thymifolia|Camptothecium lutescens|Uvaria klaineana|Deguelia hatschbachii|Hydrolithon reinboldii|Pleurophycus gardneri|Iris hoogiana|Artemisia siversiana|Allochromatium minutissimum|Euphorbia retusa|Streptomyces lateritius|Phallusia fumigata|Senecio madagascariensis|Viburnum sieboldi|Stauntonia obovatifoliola|Palmaria palmata|Cladonia bellidiflora|Glycine falcata|Radix salviae|Salvia miltiorrhiza|Nardostachyos radix et rhizoma|Perovskia abrotanoides|Salvia trijuga| |
Path=CASP3 pathway|CASP8 pathway|CASP9 pathway|PARP1 pathway|BAX pathway|N/A|CDKN1A pathway|CCNA1 pathway|CCNB1 pathway|CDC25C pathway|CDK1 pathway|CHEK1 pathway|CHEK2 pathway|LDHA pathway|TP53 pathway|MMP2 pathway|JUND pathway|NFKB1 pathway|AURKA pathway|BCL2 pathway|BID pathway|MAPK14 pathway|MAPK8 pathway|MTOR pathway|RPS6K pathway|XIAP pathway|MAPK1 pathway|AKT1 pathway|CCND1 pathway|RB1 pathway|CCNE1 pathway|CDK2 pathway|CDK4 pathway|Gen=STAT|Acetylcholinesterase - Homo sapiens | SARS coronavirus 3C-like proteinase - SARS coronavirus | Vitamin D receptor - Homo sapiens | Cholinesterase - Equus caballus | Microtubule-associated protein tau - Homo sapiens | Carboxylesterase 2 - Homo sapiens | Streptokinase A - Streptococcus pyogenes serotype M1 | ATPase family AAA domain-containing protein 5 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Geminin - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | DNA polymerase beta - Homo sapiens | Protein-tyrosine phosphatase 2C - Homo sapiens | DNA polymerase kappa - Homo sapiens | Signal transducer and activator of transcription 3 - Homo sapiens | Neuropeptide S receptor - Homo sapiens | Serine/threonine-protein kinase PLK1 - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Histone-lysine N-methyltransferase MLL - Homo sapiens | Protein-tyrosine phosphatase 1B - Homo sapiens | DNA polymerase eta - Homo sapiens | Receptor-type tyrosine-protein phosphatase F (LAR) - Homo sapiens | Protein-tyrosine phosphatase 1C - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | ATP-dependent DNA helicase Q1 - Homo sapiens | Leukocyte common antigen - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | Muscleblind-like protein 1 - Homo sapiens | Aldose reductase - Rattus norvegicus | P-glycoprotein 1 - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Acyl coenzyme A:cholesterol acyltransferase - Homo sapiens | T-cell protein-tyrosine phosphatase - Homo sapiens | Regulator of G-protein signaling 4 - Homo sapiens | Tyrosine-protein phosphatase non-receptor type 9 - Homo sapiens | Protease - Human immunodeficiency virus 1 | Telomerase reverse transcriptase - Homo sapiens | Papain - Carica papaya | Dengue virus type 2 NS3 protein - Dengue virus type 2 (strain Thailand/16681/1984) (DENV-2) |Org= Plasmodium falciparum | Streptococcus | Leishmania major | Streptococcus sp. 'group A'|Aldehyde dehydrogenase 1A1 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Cruzipain - Trypanosoma cruzi | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens |
Dis=Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Melanoma|Murine Melanoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Lung Epithelial Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Retinoblastoma|Gen=JAK/STAT |
3D viewer |
Pubchem |
|
160254 |
35825-57-1 |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
|
296.36000 |
C19H20O3 |
3.761 |
3 |
0 |
43.40 |
0.0 |
22 |
4 |
Cryptotanshinone is a STAT3 inhibitor with IC50 of 4.6 ?M in a cell-free assay, strongly inhibits phosphorylation of STAT3 Tyr705, with a small effect on STAT3 Ser727, but none against STAT1 nor STAT5. |
N/A |
| Dihydroartemisinin (DHA) |
bioactive compound |
Artemisia annua|Artemisia apiacea |
Path=MAPK14 pathway|CASP3 pathway|P-glycoprotein 1 - Homo sapiens |Org= Plasmodium falciparum 3D7 | Plasmodium falciparum|Peripheral myelin protein 22 - Rattus norvegicus | Cytochrome P450 3A4 - Homo sapiens | Huntingtin - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Geminin - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | 78 kDa glucose-regulated protein - Homo sapiens | Survival motor neuron protein - Homo sapiens |Org= Plasmodium falciparum |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Non-small Cell Lung Cancer|Gen=Others |
3D viewer |
Pubchem |
|
3000518 |
71939-50-9 |
CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)O)C |
|
284.35000 |
C15H24O5 |
1.621 |
4 |
0 |
57.20 |
0.0 |
20 |
3 |
Dihydroartemisinin (DHA) is a semi-synthetic derivative of artemisinin and isolated from the traditional Chinese herb Artemisia annua. |
N/A |
| Ursonic Acid |
natural product |
Myrica rubra|Ficus microcarpa|Jujubae fructus|Potentillae chinensis herba|Ziziphus jujuba|Zerynthia polyxena|Eriostemon brucei|Ilex paraguariensis|Melanothamnus somalensis|Pseudomonas putida|Garcinia cantleyana|Lonicera korolkowii|Croton steenkampianus|Talaromyces helicus|Pteris aquilina|Cercosporina kikuchii|Parmelia gigas|Daphne aurantiaca|Portulaca pilosa |
Gen=Others|Protease - Human immunodeficiency virus 1 | Cytochrome P450 19A1 - Homo sapiens | Glycogen phosphorylase, muscle form - Oryctolagus cuniculus | Cathepsin D - Homo sapiens |Org= Aspergillus niger | Human herpesvirus 1 | Escherichia coli | Pseudomonas fluorescens | Human herpesvirus 2 |
Dis=Acute Myeloid Leukemia|Basophilic Leukemia|Cervical Cancer|Cervical Carcinoma Papilloma |Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|Nasopharyngeal carcinoma|Gen=Others |
3D viewer |
Pubchem |
1N4F |
9890209 |
6246-46-4 |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1C)C)C(=O)O |
MUCRYNWJQNHDJH-OADIDDRXSA-N |
454.34000 |
C30H46O3 |
2.0535 |
3 |
1 |
54.37 |
9.0 |
33 |
5 |
Evaluation of ursolic acid isolated from Ilex paraguariensis and derivatives on aromatase inhibition.|Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies.|Synthesis and evaluation of A-seco type triterpenoids for anti-HIV-1protease activity.|Ursolic acid derivatives induce cell cycle arrest and apoptosis in NTUB1 cells associated with reactive oxygen species.|Identification of pentacyclic triterpenes derivatives as potent inhibitors against glycogen phosphorylase based on 3D-QSAR studies. |
Ursonic acid|3-Oxours-12-en-28-oic acid|6246-46-4|CHEMBL487887|3-Oxo-urs-12-en-28-oic acid|3-Oxo-12-ursen-28-oic acid|3-Ketoursolic acid|SCHEMBL454577|MolPort-027-835-590|HY-N1486|BDBM50245647|ZINC13558221|AKOS016009365|CS-5796|DS-5490|AJ-64173|ST24042406|246O464|(1S,2R,4aS,6aS,6bR,8aR,12aR,12bR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid| |
| Emodin |
anticancer |
Rhubarb rhabarbarum|Rheum palmatum|Ventilago madraspatana| |
Path=CCL2 pathway|N/A|ICAM1 pathway|IL6 pathway|IL8 pathway|MAPK14 pathway|NFKBIA pathway|TNF pathway|TNFRSF14 pathway|ITGB1 pathway|PTK2 pathway|PXN pathway|VCL pathway|GRB2 pathway|HIF1A pathway|MMP2 pathway|MMP7 pathway|MMP9 pathway|NFKB1 pathway|JUN pathway|PTGS2 pathway|RHOA pathway|VEGFA pathway|BCL2 pathway|BAX pathway|CASP3 pathway|CASP8 pathway|CASP9 pathway|CCNB1 pathway|AIFM1 pathway|CDKN1A pathway|CYCS pathway|DDIT3 pathway|CCNA1 pathway|CDC25C pathway|CDK1 pathway|IGFBP3 pathway|NR1H4 pathway|CDK2 pathway|CDKN1B pathway|CHEK2 pathway|CYP1A1 pathway|CYP1B1 pathway|CYR61 pathway|SERPINE1 pathway|SLC7A1 pathway|SOS1 pathway|MCL1 pathway|IL6ST pathway|MAPK9 pathway|STAT3 pathway|BIRC5 pathway|ATM pathway|TP53 pathway|Gen=Dehydrogenase |
Dis=Acute Myeloid Leukemia|Acute Monocytic Leukemia |Breast Cancer|Ductal Adenocarcinoma|Breast Carcinoma|Central Nervous System Cancers|Neuroblastoma|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Ehrlich Ascites Carcinoma (EAC)|Head and Neck Cancers|Oral Squamous Cell Carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Melanoma|malignant melanoma|Multiple Myeloma|Multiple Myeloma |Plasmacytoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Gen=Metabolism |
3D viewer |
Pubchem |
3BQC 3ED0 3PZH 3CSD |
3220 |
518-82-1 |
CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O |
RHMXXJGYXNZAPX-UHFFFAOYSA-N |
270.24000 |
C15H10O5 |
2.568 |
2 |
3 |
94.80 |
0.0 |
20 |
|
Emodin is a purgative resin, 6-methyl-1,3,8-trihydroxyanthraquinone, from rhubarb, the buckthorn and Japanese Knotweed (Fallopia japonica). |
N/A |
| Gnf-Pf-180 |
natural product |
Cinchona spp|Eucommiae cortex|Eucommia ulmoides|Cinchona calisaya |
Org=Plasmodium falciparum | Plasmodium falciparum 3D7 |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Org=Plasmodium falciparum | Plasmodium falciparum 3D7 |
3D viewer |
Pubchem |
4WNU |
94175 |
GNF-Pf-180 |
COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O |
LOUPRKONTZGTKE-AFHBHXEDSA-N |
324.18000 |
C20H24N2O2 |
-0.5136 |
3 |
1 |
45.59 |
6.0 |
24 |
2 |
|
Epiquinidine|UNII-RN974X9U97|GNF-Pf-180|(9R)-6'-Methoxycinchonan-9-ol|RN974X9U97|572-59-8|9-epi-Quinidine|.beta.-Quinine|Epichinidin|9-Epiquinidine|130-95-0|Cinchonan-9-ol, 6'-methoxy-, (9S)-|EINECS 209-340-6|Spectrum_000912|AC1L3RNZ|Spectrum2_001308|Spectrum3_000666|Spectrum4_000988|Spectrum5_001184|BSPBio_002331|KBioGR_001395|KBioSS_001392|DivK1c_000134|SPBio_001375|CHEMBL576997|ICQ 12|SCHEMBL3868889|Epiquinidine, analytical standard|KBio1_000134|KBio2_001392|KBio2_003960|KBio2_006528|KBio3_001551|DTXSID40205835|LOUPRKONTZGTKE-AFHBHXEDSA-N|NINDS_000134|ZINC1319234|CCG-212782|IDI1_000134|NCGC00178702-01|Cinchonan-9-al, 6'-methoxy-, (9R)-|SBI-0051502.P003|AB01562941_01|BRD-K48278478-065-03-3|BRD-K83041223-065-02-1|(9R)-6 inverted exclamation marka-Methoxycinchonan-9-ol|2,3,4,6-tetraaceta te-alpha-D-Gluco pyranosyl bromide|(1R)-(6-methoxyquinolin-4-yl)((2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol|(R)-(6-methoxyquinolin-4-yl)((1S,2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol|(R)-(2R,4S,5R)-5-ethenyl-1-azabicyclo2.2.2octan-2-yl-(6-methoxyquinolin-4-yl)methanol| |
| Luteolin |
bioactive compound |
Plantago major|Dracocephalum kotschyi|Rosmarinus officinalis|Tithonia diversifolia|Vitex rotundifolia|Olea europaea|Eupatorium odoratum|Plantago lagopus|Terminalia arjuna|Vitex trifolia|Perilla leaf|Chrysanthemum morifolium|Carex folliculata|Lonicera japonica|Cyperus alopecuroides|Punica granatum| |
Path=BCL2L1 pathway|BIRC5 pathway|CDK1 pathway|CDK2 pathway|CDK4 pathway|CDKN1A pathway|CDKN1B pathway|MCL1 pathway|CASP3 pathway|CASP8 pathway|CASP9 pathway|MAPK14 pathway|MAPK8 pathway|AIFM1 pathway|APEX2 pathway|NUDT1 pathway|OGG1 pathway|Gen=PDE |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Bladder Cancer|Transitional Cell Carcinoma|Breast Cancer|Breast Carcinoma|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Fibrosarcoma|Murine Fibrosarcoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Hepatoma|Kidney Cancer|kidney cancer|Renal Cell Adenocarcinoma|Melanoma|malignant melanoma|mouse tumor model|DMBA/TPA induced skin carcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|large cell carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Prostate Cancer|Prostate Adenocarcinoma|Small Cell Lung Cancer|Small Cell Lung Carcinoma|Soft Tissue Sarcoma|Mouse sarcoma|Gen=Metabolism |
3D viewer |
Pubchem |
5AUU 4HKN 4QXV 3SZ1 |
5280445 |
491-70-3 |
C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O |
|
286.24000 |
C15H10O6 |
2.168 |
2 |
4 |
107.00 |
1.0 |
21 |
|
Luteolin is a flavonoid found in Terminalia chebula, which is a non-selective phisphodiesterase PDE inhibitor for PDE1-5 with Ki of 15.0 &muM, 6.4 &muM, 13.9 &muM, 11.1 &muM and 9.5 &muM, respectively. Phase 2. |
N/A |
| (+)-Matrine |
bioactive compound |
Sophora flavescens|Planchonia grandis|Plathymenia reticulata|Syzygium polycephaloides|Pteridium esculentum|Abelia chinensis|Siphonaria capensis|Lycogala epidendrum|Sophorae tonkinensis radix et rhizome|Lemaireocereus longispinus|Embelia schimperi|Cordia leucocephala|Sophorae flavescentis radix|Latrunculia magnifica|Eria anomala|Sophora tonkinensis|Asimina parviflora|Erythrina melanacantha|Hypericum styphelioides|Myxococcus stipitatus|Theonella conica|Morella rubra|Faramea salicifolia|Chondrodendron tomentosum|Conus mus|Vellozia nanuzae|Monsonia senegalensis|Piper regnellii|Pancratium sickenbergeri|Onopordum acanthium|Rhinella marina|Helichrysum tenuifolium|Clerodendrum bungei|Embelia parviflora|Esenbeckia leiocarpa|Shigella dysenteriae|Simarouba glauca|Diospyros assimilis|Baccharis neglecta|Gymnocalycium schickendantzii|Centaurea maculosa|Lythrum salicaria|Tricholoma columbetta|Vernonia fagifolia|Dendronephthya griffini|Aplophyllum alberti-regelii|Haplophyllum obtusifolium|Euphorbia nematocypha|Dolabella californica|Erysimum leptophyllum|Epilobium hirsutum|Ephedra sinica|Sophora alopecuroides| |
Path=EIF4E pathway|N/A|MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|CASP3 pathway|FAS pathway|FASLG pathway|Gen=Opioid Receptor|Org=Hepatitis B virus|Histone acetyltransferase GCN5 - Homo sapiens |Org= Plasmodium falciparum|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus |Org= Hepatitis B virus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioma|Chronic Myelogenous Leukemia|Esophageal and Esophagogastric Junction Cancers|Esophageal squamous cell carcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Gen=Neuronal Signaling |
3D viewer |
Pubchem |
|
91466 |
519-02-8 |
C1CC2C3CCCN4C3C(CCC4)CN2C(=O)C1 |
|
248.36000 |
C15H24N2O |
1.417 |
1 |
0 |
23.60 |
0.0 |
18 |
4 |
Matrine((+)-Matrine) is an alkaloid found in plants from the Sophora family, which has a variety of pharmacological effects, including anti-cancer effects, and action as a kappa opioid receptor agonist. |
N/A |
| 5-[2-(4-Hydroxyphenyl)Ethenyl]Benzene-1,3-Diol |
natural product |
Vitis vinifera|Polygonum cuspidatum|Piper caninum|Cotula filicula|Eupatorium glutinosum|Maytenus imbricata|Heliotropium hirsutum|Leucosceptrum canum|Senecio toluccanus|Sideritis chamaedryfolia|Curcuma xanthorrhiza|Vatica rassak|Marasmius oreades|Ustilago esculenta|Cinnamosma macrocarpa|Bulla striata|Polyalthia evecta |
Gen=Autophagy|NAD(P)H dehydrogenase [quinone] 1 - Mus musculus | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Survival motor neuron protein - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Cytochrome P450 1A2 - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Cytochrome P450 2C19 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Pyruvate kinase - Leishmania mexicana | Lysine-specific demethylase 4D-like - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Prelamin-A/C - Homo sapiens | Cytochrome P450 19A1 - Homo sapiens | Monoamine oxidase B - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Histone acetyltransferase GCN5 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens |Org= Plasmodium falciparum|Carbonic anhydrase II - Homo sapiens | Carbonic anhydrase XIV - Homo sapiens | Carbonic anhydrase I - Homo sapiens | Carbonic anhydrase 15 - Mus musculus | Carbonic anhydrase VA - Homo sapiens | Carbonic anhydrase VB - Homo sapiens | Carbonic anhydrase IV - Homo sapiens | Carbonic anhydrase III - Homo sapiens | Carbonic anhydrase XII - Homo sapiens | Carbonic anhydrase XIII - Homo sapiens | Carbonic anhydrase VI - Homo sapiens | Carbonic anhydrase VII - Homo sapiens | Carbonic anhydrase IX - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Non-Melanoma Skin Cancers|Fibroblast|Non-small Cell Lung Cancer|Lewis Lung carcinoma |Gen=Autophagy |
3D viewer |
Pubchem |
4JAZ 1DVS 4QOH 4QOJ |
5056 |
133294-37-8 |
C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O |
LUKBXSAWLPMMSZ-UHFFFAOYSA-N |
228.08000 |
C14H12O3 |
-0.9131 |
0 |
3 |
60.69 |
5.0 |
17 |
2 |
Upregulation of angiotensin-converting enzyme by vascular endothelial growth factor.|Ethanol and oxidative mechanisms in the brain.|Induced cytoskeletal changes in bovine pulmonary artery endothelial cells by resveratrol and the accompanying modified responses to arterial shear stress.|In vitro inhibition of Sphaeropsis sapinea by natural stilbenes.|Polyphyenolics increase t-PA and u-PA gene transcription in cultured human endothelial cells.|Resveratrol-induced activation of p53 and apoptosis is mediated by extracellular-signal-regulated protein kinases and p38 kinase. |
5-2-(4-hydroxyphenyl)vinylbenzene-1,3-diol|1,3-Benzenediol, 5-2-(4-hydroxyphenyl)ethenyl-|133294-37-8|CHEBI:27881|(resveratrol)|Resveravine(R)|ACMC-20muvf|Spectrum_001148|SpecPlus_000391|(Cis-Trans)-Resveratrol|AC1L1JIL|Prestwick0_000508|Prestwick1_000508|Spectrum2_001497|Spectrum3_001821|Spectrum4_001896|MolMap_000045|1,3-Benzenediol, 5-(1Z)-2-(4-hydroxyphenyl)ethenyl-|Oprea1_727238|KBioGR_000454|KBioGR_002457|KBioSS_000454|KBioSS_001628|DivK1c_006487|SPBio_001513|SPBio_002356|CHEMBL2019155|CTK0F4789|KBio1_001431|KBio2_000454|KBio2_001628|KBio2_003022|KBio2_004196|KBio2_005590|KBio2_006764|KBio3_000847|KBio3_000848|KBio3_002965|LUKBXSAWLPMMSZ-UHFFFAOYSA-N|MolPort-019-999-364|Bio2_000397|Bio2_000877|HMS3267J06|HMS3394I09|HMS3654D04|trans -3,4 ,5-Trihydroxystilbene|CR0015|IN1128|AKOS025244084|MCULE-4334386251|TRA0100012|KS-000000I8|SMP1_000257|NCGC00017352-23|AN-39292|NCI60_002840|SY014849|DB-030329|FT-0603427|FT-0654236|MFCD00133799 (98%)|A833225| |
| Taxuspinanane A |
natural product |
Taxus cuspidata|Taxus baccata|Taxus mairei|Taxus wallichiana var. wallichiana |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
10700798 |
No Cas |
CCC(C)CCC(=O)NC(C1=CC=CC=C1)C(C(=O)OC2CC3(C(C4C(C(CC5C4(CO5)OC(=O)C)O)(C(=O)C(C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O |
LNTOLDCVMUNKRU-GVZBEMDZSA-N |
861.39000 |
C47H59NO14 |
-1.4361 |
15 |
4 |
224.78 |
29.0 |
62 |
6 |
|
|
| Naringin |
bioactive compound |
Citrus spp|Ralstonia solanacearum|Hedysarum polybotrys|Fructus aurantii|Securidaca inappendiculata|Coccus fagi|Beyeria brevifolia|Fusarium gibbosum|Morus alba|Tripterygium wilfordii|Dendrosenecio kilimanjari|Lactarius scrobiculatus|Haplopappus chrysanthemifolius|Citrus trifoliata|Helianthus annuus|Simira eliezeriana|Cladonia evansii|Prunus laurocerasus|Portulaca oleracea|Citrus maxima|Pseudopterogorgia kallos|Bursaria spinosa|Stenostomum lucidum|Prunus mume|Helianthus maximiliani|Chromolaena odorata|Ficus formosana|Isodon kameba|Rheum coreanum|Ageratum conyzoides|Kaempferia pulchra|Artemisia monogyna|Senecio squalidus|Rheum officinale|Citrus nobilis|Cytisus austriacus|Centaurea spinosa|Elaeocarpus sylvestris|Rheum palmatum|Citrus tankan|Quercus aegilops|Citri reticulatae pericarpium viride|Prosopis glandulosa|Rheum tanguticum|Pericarpium citri reticulatae viride|Alligator mississippiensis|Citrus aurantium|Vitex madiensis|Rhododendron dauricum|Herba selaginellae doederleinii|Pyrosoma giganteum|Glycyrrhiza|Araujia sericifera|Scutellaria barbata|Helianthus canescens|Citri grandis exocarpium|Clematis terniflora var. mandshurica|Sophora japonica|Canarii fructus|Taxodium mucronatum|Citrus japonica var. margarita|Citrus reticulata|Pheidole pallidula|Exocarpium citri rubrum|Hedysari radix|Streptomyces althioticus|Citri exocarpium rubrum|Pterocarpus grandiflorus|Helianthus niveus|Radix moghaniae philippinensis|Exocarpium citri grandis|Aurantii fructus immaturus|Sesbania punicea|Aurantii fructus|Chloranthus tianmushanensis|Blumea glomerata|Astragalus membranaceus|Anaxagorea clavata|Pericarpium citri reticulatae|Astragalus mongholicus|Salvia officinalis|Citrus japonica|Clonostachys rosea|Pteris prolifera|Zaluzania augusta|Citrus grandis|Arnica nevadensis|Citrus medica|Pericarpium citri|Chromolaena pulchella|Citrus natsudaidai|Fortunella japonica|Dipterocarpus alatus|Cymbopogon citratus|Exocarpium citri|Epaltes gariepina|Citrus sinensis|Fortunella margarita|Agnorhiza bolanderi|Aplidium constellatum|Citrus unshiu|Citrus wilsonii|Poncirus trifoliata|Gardenia fosbergii|Bassia butyracea|Crocus sativus|Aceriphyllum rossii|Ilex affinis|Echinops amplexicaulis|Drynaria fortunei|Rhizobium phaseoli|Aria pallescens|Ganoderma lucidum|Seriphidium cinum|Drosera peltata|Ganoderma sinense| |
Gen=P450 (e.g. CYP17)|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus | UDP-glucuronosyltransferase 1-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Glycogen synthase kinase-3 beta - Homo sapiens | Heparanase - Homo sapiens | Ubiquitin-conjugating enzyme E2 N - Homo sapiens | Geminin - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Bcl-2-related protein A1 - Mus musculus | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | Solute carrier organic anion transporter family member 1A5 - Rattus norvegicus | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Cytochrome P450 19A1 - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Protein-tyrosine phosphatase 1B - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | TAR DNA-binding protein 43 - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Transcriptional regulator ERG - Homo sapiens |Org= Salmonella typhimurium| |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Gen=Metabolism |
3D viewer |
Pubchem |
|
442428 |
10236-47-2 |
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O |
|
580.53000 |
C27H32O14 |
-0.415 |
6 |
8 |
225.00 |
6.0 |
41 |
5 |
Naringin is a flavanone glycoside, which exerts a variety of pharmacological effects such as antioxidant activity, blood lipid lowering, anticancer activity, and inhibition of cytochrome P450 enzymes. |
Naringoside |
| Oridonin |
bioactive compound |
Isodon rubescens|Rabdosia rubescens|Isodon rubescens var. lushiensis|Rubia cordifolia| |
Path=BCL2 pathway|CCNB1 pathway|CDK1 pathway|DFFA pathway|EGFR pathway|PARP1 pathway|SIRT1 pathway|AIFM1 pathway|BAX pathway|CASP3 pathway|CASP8 pathway|CYCS pathway|FADD pathway|JUND pathway|MAPK14 pathway|NFKB1 pathway|FAS pathway|SREBF1 pathway|Gen=Others|Cholinesterase - Equus caballus | Acetylcholinesterase - Electrophorus electricus |Org= Mycobacterium phlei | Mycobacterium smegmatis |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Gen=Others |
3D viewer |
Pubchem |
|
5321010 |
28957-04-2 |
CC1(CCC(C23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)O)C |
|
364.43000 |
C20H28O6 |
0.2 |
2 |
3 |
107.00 |
0.0 |
26 |
3 |
Oridonin, a diterpenoid purified from Rabdosia rubescens, is an antitumor agent. |
Isodonol, Rubescenin |
| Inotodiol |
natural product |
Inonotus obliquus |
Path=CASP3 pathway |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Melanoma Skin Cancers|mouse skin carcinoma|Org=Human herpesvirus 4 |
3D viewer |
Pubchem |
|
44422314 |
35963-37-2 |
CC(C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C)C(CC=C(C)C)O |
KKWJCGCIAHLFNE-KFPHZHIMSA-N |
442.38000 |
C30H50O2 |
3.1012 |
2 |
2 |
40.46 |
14.0 |
32 |
4 |
Sterol composition in field-grown and cultured mycelia of Inonotus obliquus.|Chemical constituents from Inonotus obliquus and their biological activities.|Inotodiol inhabits proliferation and induces apoptosis through modulating expression of cyclinE, p27, bcl-2, and bax in human cervical cancer HeLa cells. |
|
| Adenanthin C |
natural product |
Isodon adenantha|Rabdosia adenantha|isodon tenuifolius|Sideritis marmorea|Rhamnus disperma|Artemisia viridis|Cora pavonia|Aspergillus puniceus|Senecio fuchsii|Ovidia pillo-pillo|Didymeles madagascariensis|Polypodium fauriei |
|
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia |
3D viewer |
Pubchem |
|
10928875 |
No Cas |
CC(=O)OC1CC2CC3(C1C4(C(CC3OC(=O)C)C(C(CC4OC(=O)C)O)(C)C)C)C(=O)C2=C |
QKHLDQYQFFOBAK-VCGKDBAHSA-N |
476.24000 |
C26H36O8 |
0.1357 |
8 |
1 |
116.20 |
13.0 |
34 |
4 |
|
|
| Hederagenin-3-O-Beta-D-Glucopyranosyl-(1->3)-Alpha-L-Rhamnopyranosyl-(1->2)-Alpha-L-Arabinopyranoside |
natural product |
Kalopanax pictus|Pulsatilla chinensis|trevesia palmata|Kalopanax septemlobus |
|
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma |
3D viewer |
Pubchem |
|
11506184 |
128730-82-5 |
CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)CO)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O |
AMXYFWUYMQOLRN-BHGPNLNISA-N |
912.51000 |
C47H76O17 |
-3.1909 |
17 |
10 |
274.75 |
26.0 |
64 |
8 |
|Antiproliferative triterpene saponins from Trevesia palmata.|Antinociceptive and anti-rheumatoidal effects of Kalopanax pictus extract and its saponin components in experimental animals. |
|
| (-)-Parthenolide |
bioactive compound |
Tanacetum parthenium|Tsuga sieboldii|Lactarius blennius|Sinularia erecta|Silene dioica|Mollugo pentaphylla|Paederia foetida|Dolichos kilimandscharicus|Tuta absoluta|Artemisia phaeolepis|Laurencia dendroidea|Naucleopsis mello-barretoi|Laserpitium siler|Ambrosia psilostachya| |
Path=MLL pathway|MAPK14 pathway|Gen=HDAC,NF-?B,Mdm2,p53|Gen=HDAC,NF-?B,Mdm2,p53|Aldehyde dehydrogenase 1A1 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Parathyroid hormone receptor - Homo sapiens | Vitamin D receptor - Homo sapiens | Ferritin light chain - Equus caballus | Regulator of G-protein signaling 4 - Homo sapiens | Geminin - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens|Acetylcholinesterase - Electrophorus electricus | Nuclear factor NF-kappa-B p65 subunit - Homo sapiens | Nitric oxide synthase, inducible - Mus musculus | Serotonin 2a (5-HT2a) receptor - Rattus norvegicus | Caspase-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Cholinesterase - Equus caballus | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Transcriptional activator Myb - Gallus gallus | NACHT, LRR and PYD domains-containing protein 3 - Homo sapiens | UDP-N-acetylglucosamine 1-carboxyvinyltransferase - Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) | UDP-N-acetylglucosamine 1-carboxyvinyltransferase - Escherichia coli K-12 | Transcription factor Sp1 - Homo sapiens | Cyclooxygenase-2 - Homo sapiens |Org= Plasmodium falciparum | Orobanche cernua var. cumana|TAR DNA-binding protein 43 - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Ataxin-2 - Homo sapiens | Parathyroid hormone receptor - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|pre-B leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Medulloblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Melanoma|malignant melanoma|Skin Cancer|Epithelial cell carcinoma|Small Cell Lung Cancer|Small Cell Lung Carcinoma|Gen=NF-?B |
3D viewer |
Pubchem |
|
7251185 |
20554-84-1 |
CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C |
|
248.32000 |
C15H20O3 |
2.923 |
3 |
0 |
38.80 |
0.0 |
18 |
3 |
(-)-Parthenolide, an inhibitor of the Nuclear Factor-?B Pathway, specifically depletes HDAC1 protein without affecting other class I/II HDACs Also promotes the ubiquitination of MDM2 and activates p53 cellular functions. |
N/A |
| Methyl 1-Methyl-2'-Oxospiro[1,4A,5,5A,7,8,10,10A-Octahydropyrano[3,4-F]Indolizine-6,3'-1H-Indole]-4-Carboxylate |
natural product |
Uncaria tomentosa|Uncaria veluntina|Uncaria kawakamii|Uncaria sinensis|Uncaria lanosa|Uncaria guianensis|Uncaria scandens|Uncaria elliptica|Catharanthus roseus|Mitragyna macrophylla|Uncaria gambir|Uncaria orientalis|Uncaria macrophylla|Uncaria rhynchophylla|Uncaria laevigata|Uncaria africana|Uncaria homomalla|Uncaria attenuata|Uncaria longiflora|Uncaria perrottetii|Uncaria lancifolia|Uncaria sessilifructus|Uncaria bernaysii|Uncaria callophylla|Uncaria sterrophylla|Uncaria hirsuta |
Path=BCL2 pathway|Transcriptional regulator ERG - Homo sapiens |Org= Plasmodium falciparum |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Org=Plasmodium falciparum |
3D viewer |
Pubchem |
|
98363 |
No Cas |
CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O |
JMIAZDVHNCCPDM-UHFFFAOYSA-N |
368.17000 |
C21H24N2O4 |
-0.6854 |
6 |
1 |
71.36 |
5.0 |
27 |
5 |
Microsphere-based protease assays and screening application for lethal factor and factor Xa.|High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.|Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.|Internal Ribosome Entry Site-Based Bicistronic In Situ Reporter Assays for Discovery of Transcription-Targeted Lead Compounds. |
Isopteropodin|NSC601678|Mitraphyllin|Rubaradinine|Rubradinin|Ajmalicine oxindole B|AC1Q6M3R|Methyl 19-methyl-2-oxoformosanan-16-carboxylate|MLS000863603|MEGxp0_002059|CHEMBL1886339|ACon1_000458|JMIAZDVHNCCPDM-UHFFFAOYSA-N|MolPort-001-742-734|HMS2269J03|AC1L4045|NSC113093|NSC113094|MCULE-5147022598|NSC-113093|NSC-113094|NSC-601678|NCGC00169059-03|SMR000440716|BRD-A92455874-001-01-3|Methyl 2-hydroxy-19-methyl-1,2-didehydroformosanan-16-carboxylate #|Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19.alpha.)-|methyl 1-methyl-2'-oxospiro1,4a,5,5a,7,8,10,10a-octahydropyrano3,4-findolizine-6,3'-1H-indole-4-carboxylate|NCGC00169059-03_C21H24N2O4_Spiro3H-indole-3,6'(10'H)-1Hpyrano3,4-findolizine-4'-carboxylic acid, 1,2,4'a,5',5'a,7',8',10'a-octahydro-1'-methyl-2-oxo-, methyl ester| |
| 5,7-Dihydroxy-3-(3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxy-2-(3,4,5-Trihydroxyphenyl)Chromen-4-One |
natural product |
Myrica rubra|Portulaca oleracea|Nekemias grossedentata |
Gen=PKC|DNA polymerase beta - Homo sapiens | Muscleblind-like protein 1 - Homo sapiens | Zinc finger protein mex-5 - Caenorhabditis elegans | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Cytoplasmic zinc-finger protein - Caenorhabditis elegans | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Microtubule-associated protein tau - Homo sapiens | DNA polymerase kappa - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | Flap endonuclease 1 - Homo sapiens | Mannose-6-phosphate isomerase - Homo sapiens | Lysosomal alpha-glucosidase - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Ataxin-2 - Homo sapiens | Serine/threonine-protein kinase PLK1 - Homo sapiens | DNA polymerase eta - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | DNA polymerase iota - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Rap guanine nucleotide exchange factor 3 - Homo sapiens | Protein disulfide-isomerase - Homo sapiens |Org= Plasmodium falciparum|Arginase - Leishmania amazonensis|Cholinesterase - Equus caballus | Acetylcholinesterase - Electrophorus electricus |Org= Heliothis virescens| Glutaminase kidney isoform, mitochondrial - Homo sapiens | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 - Homo sapiens | Lysine-specific demethylase 4A - Homo sapiens | Lethal(3)malignant brain tumor-like protein 1 - Homo sapiens |
Dis=Acute Myeloid Leukemia|Basophilic Leukemia|Gen=TGF-beta/Smad |
3D viewer |
Pubchem |
|
5352000 |
No Cas |
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O |
DCYOADKBABEMIQ-UHFFFAOYSA-N |
464.10000 |
C21H20O12 |
-4.8524 |
6 |
8 |
206.60 |
12.0 |
33 |
4 |
Microsphere-based protease assays and screening application for lethal factor and factor Xa.|High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.|Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.|The role of the glycosyl moiety of myricetin derivatives in anti-HIV-1 activity in vitro. |
Myricetin 3-rhamnoside|MLS000737865|Rhamnoside,myricetin-3|Myricetin 3-O-L-rhamnoside|SMR000528196|Myricitrin (8CI)|5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one|Myricetin 3-O-alpha-L-rhamnoside|NSC 19803|NSC-19803|AC1NS1KW|Flavone,3,3',4',5,5',7-hexahydroxy-,3-rhamnoside|CHEMBL1599224|SCHEMBL13240936|cid_5352000|CTK8G1222|Myricetin 3-O-|A-L-Rhamnoside|DCYOADKBABEMIQ-UHFFFAOYSA-N|Myricetin-3-O-alpha-L-rhamnoside|BDBM115130|HMS2269N23|HMS3332B17|HMS3651A20|Myricetin 3-O-|A-Rhamnopyranoside|Myricetin 3-O-.alpha.-L-rhamnoside|Myricetin 3-O-|A-L-Rhamnopyranoside|Myricetin 3-O-.alpha.-L-rhamnopyranoside|NCI60_001649|3,3',4',5,5',7-Hexahydroxyflavone 3-Rhamnoside|Flavone,3',4',5,5',7-hexahydroxy-,3-rhamnoside|3-(6-Deoxy-|A-L-mannopyranosyl)oxy-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one|3-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yloxy-5,7-bis(oxidanyl)-2-3,4,5-tris(oxidanyl)phenylchromen-4-one|5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one|5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2-(3,4,5-trihydroxyphenyl)chromone|5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-4-one| |
| Silibinin |
bioactive compound |
Silybum marianum|Lycium chinense| |
Path=ERBB2 pathway|TP53 pathway|MYC pathway|SLC2A4 pathway|AKT1 pathway|TBC1D4 pathway|CASP3 pathway|LDHA pathway|PSA pathway|N/A|BCL2L1 pathway|MAPK14 pathway|MMP9 pathway|JUN pathway|MAP2K1 pathway|MAPK1 pathway|MAPK3 pathway|MAPK8 pathway|RAF1 pathway|CYCS pathway|EGFR pathway|IGF1R pathway|PTK2 pathway|VEGFA pathway|BID pathway|BIRC5 pathway|CASP8 pathway|CASP9 pathway|CFLAR pathway|TNFRSF10C pathway|DDIT3 pathway|TNFRSF10B pathway|FOS pathway|JUND pathway|MAPK9 pathway|MMP2 pathway|NFKB1 pathway|NFKB2 pathway|PLAU pathway|EIF4G1 pathway|HIF1A pathway|MTOR pathway|RPS6 pathway|RPS6KB2 pathway|STAT3 pathway|SPDEF pathway|CCND1 pathway|MCL1 pathway|EIF2A pathway|PARP1 pathway|Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | DNA polymerase iota - Homo sapiens | DNA polymerase eta - Homo sapiens | Large T antigen - Simian virus 40 | Geminin - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus |Org= Plasmodium falciparum|Tyrosinase - Agaricus bisporus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens |Org= Hepatitis C virus|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus | Tyrosinase - Agaricus bisporus | Cytochrome P450 3A4 - Homo sapiens | Sphingomyelin phosphodiesterase - Homo sapiens | Carbonic anhydrase IX - Homo sapiens | Androgen Receptor - Homo sapiens | Carbonic anhydrase XIV - Homo sapiens | Xanthine dehydrogenase - Bos taurus | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Hypoxia-inducible factor 1 alpha - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Canalicular multispecific organic anion transporter 1 - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Carbonic anhydrase I - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Prelamin-A/C - Homo sapiens | Thrombin - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Microtubule-associated protein tau - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Carbonic anhydrase II - Homo sapiens | Thyroid stimulating hormone receptor - Homo sapiens | Cruzipain - Trypanosoma cruzi | Multidrug resistance-associated protein 1 - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Lysosomal alpha-glucosidase - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Carbonic anhydrase VA - Homo sapiens | Xanthine dehydrogenase - Homo sapiens | Carbonic anhydrase VB - Homo sapiens | Carbonic anhydrase VII - Homo sapiens | Carbonic anhydrase XIII - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | Carbonic anhydrase III - Homo sapiens | Carbonic anhydrase 15 - Mus musculus | Interleukin-8 - Homo sapiens | P-glycoprotein 3 - Mus musculus | Nuclear receptor subfamily 1 group I member 2 - Rattus norvegicus | Xanthine dehydrogenase/oxidase - Rattus norvegicus | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | Carbonic anhydrase IV - Homo sapiens | Carbonic anhydrase XII - Homo sapiens | Carbonic anhydrase VI - Homo sapiens |Org= Mus musculus | Staphylococcus aureus | Pseudomonas aeruginosa | Plasmodium falciparum | Proteus mirabilis |
Dis=Breast Cancer|Breast Adenocarcinoma|Ductal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Central Nervous System Cancers|Glioblastoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
31553 |
22888-70-6 |
COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O |
|
482.44000 |
C25H22O10 |
2.592 |
5 |
5 |
155.00 |
4.0 |
35 |
5 |
Silibinin, the main flavonoid extracted from the milk thistle Silybum marianum, displays hepatoprotective properties in acute and chronic liver injury. |
Silybin |
| Silymarin |
bioactive compound |
Silybum marianum|Lycium chinense| |
Path=ERBB2 pathway|TP53 pathway|MYC pathway|SLC2A4 pathway|AKT1 pathway|TBC1D4 pathway|CASP3 pathway|LDHA pathway|PSA pathway|N/A|BCL2L1 pathway|MAPK14 pathway|MMP9 pathway|JUN pathway|MAP2K1 pathway|MAPK1 pathway|MAPK3 pathway|MAPK8 pathway|RAF1 pathway|CYCS pathway|EGFR pathway|IGF1R pathway|PTK2 pathway|VEGFA pathway|BID pathway|BIRC5 pathway|CASP8 pathway|CASP9 pathway|CFLAR pathway|TNFRSF10C pathway|DDIT3 pathway|TNFRSF10B pathway|FOS pathway|JUND pathway|MAPK9 pathway|MMP2 pathway|NFKB1 pathway|NFKB2 pathway|PLAU pathway|EIF4G1 pathway|HIF1A pathway|MTOR pathway|RPS6 pathway|RPS6KB2 pathway|STAT3 pathway|SPDEF pathway|CCND1 pathway|MCL1 pathway|EIF2A pathway|PARP1 pathway|Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | DNA polymerase iota - Homo sapiens | DNA polymerase eta - Homo sapiens | Large T antigen - Simian virus 40 | Geminin - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus |Org= Plasmodium falciparum|Tyrosinase - Agaricus bisporus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens |Org= Hepatitis C virus|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus | Tyrosinase - Agaricus bisporus | Cytochrome P450 3A4 - Homo sapiens | Sphingomyelin phosphodiesterase - Homo sapiens | Carbonic anhydrase IX - Homo sapiens | Androgen Receptor - Homo sapiens | Carbonic anhydrase XIV - Homo sapiens | Xanthine dehydrogenase - Bos taurus | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Hypoxia-inducible factor 1 alpha - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Canalicular multispecific organic anion transporter 1 - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Carbonic anhydrase I - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Prelamin-A/C - Homo sapiens | Thrombin - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Microtubule-associated protein tau - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Carbonic anhydrase II - Homo sapiens | Thyroid stimulating hormone receptor - Homo sapiens | Cruzipain - Trypanosoma cruzi | Multidrug resistance-associated protein 1 - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Lysosomal alpha-glucosidase - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Carbonic anhydrase VA - Homo sapiens | Xanthine dehydrogenase - Homo sapiens | Carbonic anhydrase VB - Homo sapiens | Carbonic anhydrase VII - Homo sapiens | Carbonic anhydrase XIII - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | Carbonic anhydrase III - Homo sapiens | Carbonic anhydrase 15 - Mus musculus | Interleukin-8 - Homo sapiens | P-glycoprotein 3 - Mus musculus | Nuclear receptor subfamily 1 group I member 2 - Rattus norvegicus | Xanthine dehydrogenase/oxidase - Rattus norvegicus | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | Carbonic anhydrase IV - Homo sapiens | Carbonic anhydrase XII - Homo sapiens | Carbonic anhydrase VI - Homo sapiens |Org= Mus musculus | Staphylococcus aureus | Pseudomonas aeruginosa | Plasmodium falciparum | Proteus mirabilis |
Dis=Breast Cancer|Breast Adenocarcinoma|Ductal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Central Nervous System Cancers|Glioblastoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
31553 |
22888-70-6 |
COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O |
|
482.44000 |
C25H22O10 |
2.592 |
5 |
5 |
155.00 |
4.0 |
35 |
5 |
Silymarin (Silybin B), a polyphenolic flavonoid extracted from the seeds of Silybum marianum or milk thistle, is used in the prevention and treatment of liver diseases and primary liver cancer. |
Silybin B |
| Tanshinone IIA |
bioactive compound |
Salvia miltiorrhizae |Salvia digitaloides|Allochromatium minutissimum|Ritterella rubra|Deguelia hatschbachii|Euphorbia sancta|Glycyrrhiza triphylla|Euphorbia retusa|Stauntonia obovatifoliola|Asphodeline tenuior|Viburnum sieboldi|Notholaena dealbata|Agathosma thymifolia|Camptothecium lutescens|Senecio madagascariensis|Artemisia siversiana|Metzgeria pubescens|Salvia miltiorrhiza|Phallusia fumigata|Salvia przewalskii|Rhabdia lycioides|Streptomyces lateritius|Radix salviae|Dioscorea communis|Palmaria palmata|Delphinium cyphoplectrum|Peucedani radix|Cladonia bellidiflora|Angelica decursiva|Glycine falcata|Peucedanum praeruptorum|Picradeniopsis pringlei|Combretum indicum|Decachaeta ovatifolia|Pleurophycus gardneri|Hydrolithon reinboldii|Bothriocline longipes|Salvia karabachensis|Salvia sclarea|Vicia sativa|Uvaria klaineana|Iris hoogiana|Amentotaxus yunnanensis|Amaranthus hybr |
Path=BCL2 pathway|BIRC5 pathway|MYC pathway|RB1 pathway|SPI1 pathway|BAX pathway|CASP3 pathway|PARP1 pathway|N/A|CDK2 pathway|CDKN1B pathway|NPM1 pathway|ERBB2 pathway|TP53 pathway|BCL2L1 pathway|CCND1 pathway|STAT3 pathway|MCL1 pathway|CYCS pathway|ESR1 pathway|ESR2 pathway|PCNA pathway|MMP2 pathway|MMP9 pathway|PLAU pathway|RELA pathway|TIMP1 pathway|TIMP2 pathway|CASP8 pathway|IL8 pathway|JUND pathway|NFKB1 pathway|AKT1 pathway|AURKA pathway|CASP9 pathway|MTOR pathway|PIK3CA pathway|CDK1 pathway|CCNB1 pathway|RPS6K pathway|Gen=Lipase|Cholinesterase - Equus caballus | Androgen Receptor - Homo sapiens | Apoptotic protease-activating factor 1 - Homo sapiens | Regulator of G-protein signaling 4 - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Aldose reductase - Rattus norvegicus | Papain - Carica papaya | Acetylcholinesterase - Electrophorus electricus | Acetylcholinesterase - Homo sapiens | Prelamin-A/C - Homo sapiens | Nonstructural protein 1 - Influenza A virus | Aldehyde dehydrogenase 1A1 - Homo sapiens | SARS coronavirus 3C-like proteinase - SARS coronavirus | Geminin - Homo sapiens | Aldose reductase - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Protein-tyrosine phosphatase 1C - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Carboxylesterase 2 - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Protein-tyrosine phosphatase 2C - Homo sapiens | Serine/threonine-protein kinase PLK1 - Homo sapiens | Ferritin light chain - Equus caballus | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens | Histone acetyltransferase GCN5 - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | Lysine-specific demethylase 4A - Homo sapiens | Monoglyceride lipase - Homo sapiens | Telomerase reverse transcriptase - Homo sapiens | DNA polymerase kappa - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | Protease - Human immunodeficiency virus 1 | Acyl coenzyme A:cholesterol acyltransferase - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | Rap guanine nucleotide exchange factor 3 - Homo sapiens | Acyl-CoA synthase - Mycobacterium tuberculosis | Vitamin D receptor - Homo sapiens |Org= Plasmodium falciparum |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|multidrug-resistant CEM/ADR5001 leukemia|Acute Myeloid Leukemia|Acute Monocytic Leukemia |Acute Promyelocytic Leukemia|Bone Cancer|Osteosarcoma|Breast Cancer|Ductal Adenocarcinoma|Breast Adenocarcinoma|Central Nervous System Cancers|Glioma|Cervical Cancer|Cervical Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Kidney Cancer|kidney cancer|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Lung Epithelial Carcinoma|Ovarian Cancer|Murine Ovarian Cancer|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=Metabolism |
3D viewer |
Pubchem |
4M0E |
164676 |
568-72-9 |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
|
294.34000 |
C19H18O3 |
4.66 |
3 |
0 |
47.30 |
0.0 |
22 |
4 |
Tanshinone IIA(Tanshinone B) is the most abundant diterpene quinone in Danshen, Salviae miltiorrhizae Radix, a widely prescribed traditional herbal medicine that is used to treat cardiovascular and inflammatory diseases A natural monoacylglycerol lipase inhibitor. |
Tanshinone B |
| (2S)-2-(2,4-Dihydroxyphenyl)-5,7-Dihydroxy-8-(5-Methyl-2-(Prop-1-En-2-Yl)Hex-4-Enyl)Chroman-4-One |
natural product |
Sophora flavescens |
Org=Staphylococcus epidermidis | Staphylococcus aureus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Breast Carcinoma|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Esophageal and Esophagogastric Junction Cancers|Esophageal squamous cell carcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Melanoma|malignant melanoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Prostate Cancer|prostate Carcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Org=Staphylococcus epidermidis | Staphylococcus aureus |
3D viewer |
Pubchem |
|
9910234 |
No Cas |
CC(=CCC(CC1=C(C=C(C2=C1OC(CC2=O)C3=C(C=C(C=C3)O)O)O)O)C(=C)C)C |
XRYVAQQLDYTHCL-GMTBNIFVSA-N |
424.19000 |
C25H28O6 |
0.5129 |
1 |
4 |
107.22 |
13.0 |
31 |
3 |
|
|
| Amphimedoside B |
natural product |
Amphidinium sp |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
16091666 |
No Cas |
CON(CCCCCCCCC#CCCCCC1=CN=CC=C1)C2C(C(C(C(O2)CO)O)O)O |
VHFWMJKIAPMPHF-WSGIOKLISA-N |
478.30000 |
C26H42N2O6 |
-3.6065 |
6 |
4 |
115.51 |
20.0 |
34 |
2 |
|
|
| Plakortide M |
natural product |
Plakortis halichondrioides |
|
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Kidney Cancer|Renal Cell Adenocarcinoma|Melanoma|malignant melanoma|Multiple Myeloma|Plasmacytoma|Non-small Cell Lung Cancer|large cell carcinoma|Lung Adenocarcinoma|Lung Epithelial Carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma |
3D viewer |
Pubchem |
|
11724719 |
No Cas |
CCC=CC(CC)CC=CC1(CC(C(OO1)CC(=O)O)CC)CC |
APFBSUUYUMZERZ-ACISTPACSA-N |
338.25000 |
C20H34O4 |
-0.2059 |
4 |
1 |
55.76 |
15.0 |
24 |
1 |
|
|
| Tanshinone Iia |
natural product |
Salvia miltiorrhizae |Salvia digitaloides|Allochromatium minutissimum|Ritterella rubra|Deguelia hatschbachii|Euphorbia sancta|Glycyrrhiza triphylla|Euphorbia retusa|Stauntonia obovatifoliola|Asphodeline tenuior|Viburnum sieboldi|Notholaena dealbata|Agathosma thymifolia|Camptothecium lutescens|Senecio madagascariensis|Artemisia siversiana|Metzgeria pubescens|Salvia miltiorrhiza|Phallusia fumigata|Salvia przewalskii|Rhabdia lycioides|Streptomyces lateritius|Radix salviae|Dioscorea communis|Palmaria palmata|Delphinium cyphoplectrum|Peucedani radix|Cladonia bellidiflora|Angelica decursiva|Glycine falcata|Peucedanum praeruptorum|Picradeniopsis pringlei|Combretum indicum|Decachaeta ovatifolia|Pleurophycus gardneri|Hydrolithon reinboldii|Bothriocline longipes|Salvia karabachensis|Salvia sclarea|Vicia sativa|Uvaria klaineana|Iris hoogiana|Amentotaxus yunnanensis|Amaranthus hybr |
Path=BCL2 pathway|BIRC5 pathway|MYC pathway|RB1 pathway|SPI1 pathway|BAX pathway|CASP3 pathway|PARP1 pathway|N/A|CDK2 pathway|CDKN1B pathway|NPM1 pathway|ERBB2 pathway|TP53 pathway|BCL2L1 pathway|CCND1 pathway|STAT3 pathway|MCL1 pathway|CYCS pathway|ESR1 pathway|ESR2 pathway|PCNA pathway|MMP2 pathway|MMP9 pathway|PLAU pathway|RELA pathway|TIMP1 pathway|TIMP2 pathway|CASP8 pathway|IL8 pathway|JUND pathway|NFKB1 pathway|AKT1 pathway|AURKA pathway|CASP9 pathway|MTOR pathway|PIK3CA pathway|CDK1 pathway|CCNB1 pathway|RPS6K pathway|Gen=Lipase|Cholinesterase - Equus caballus | Androgen Receptor - Homo sapiens | Apoptotic protease-activating factor 1 - Homo sapiens | Regulator of G-protein signaling 4 - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Aldose reductase - Rattus norvegicus | Papain - Carica papaya | Acetylcholinesterase - Electrophorus electricus | Acetylcholinesterase - Homo sapiens | Prelamin-A/C - Homo sapiens | Nonstructural protein 1 - Influenza A virus | Aldehyde dehydrogenase 1A1 - Homo sapiens | SARS coronavirus 3C-like proteinase - SARS coronavirus | Geminin - Homo sapiens | Aldose reductase - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Protein-tyrosine phosphatase 1C - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Carboxylesterase 2 - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Protein-tyrosine phosphatase 2C - Homo sapiens | Serine/threonine-protein kinase PLK1 - Homo sapiens | Ferritin light chain - Equus caballus | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens | Histone acetyltransferase GCN5 - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | Lysine-specific demethylase 4A - Homo sapiens | Monoglyceride lipase - Homo sapiens | Telomerase reverse transcriptase - Homo sapiens | DNA polymerase kappa - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | Protease - Human immunodeficiency virus 1 | Acyl coenzyme A:cholesterol acyltransferase - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | Rap guanine nucleotide exchange factor 3 - Homo sapiens | Acyl-CoA synthase - Mycobacterium tuberculosis | Vitamin D receptor - Homo sapiens |Org= Plasmodium falciparum |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|multidrug-resistant CEM/ADR5001 leukemia|Acute Myeloid Leukemia|Acute Monocytic Leukemia |Acute Promyelocytic Leukemia|Bone Cancer|Osteosarcoma|Breast Cancer|Ductal Adenocarcinoma|Breast Adenocarcinoma|Central Nervous System Cancers|Glioma|Cervical Cancer|Cervical Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Kidney Cancer|kidney cancer|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Lung Epithelial Carcinoma|Ovarian Cancer|Murine Ovarian Cancer|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=Metabolism |
3D viewer |
Pubchem |
4M0E |
164676 |
568-72-9 |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
HYXITZLLTYIPOF-UHFFFAOYSA-N |
294.13000 |
C19H18O3 |
0.7113 |
2 |
0 |
47.28 |
3.0 |
22 |
4 |
Isolation and bioactivity of new tanshinones.|[A preliminary study of the anti-cancer effect of tanshinone on hepatic carcinoma and its mechanism of action in mice].|Tanshinone IIA isolated from Salvia miltiorrhiza BUNGE induced apoptosis in HL60 human premyelocytic leukemia cell line.|Tanshinone II-A inhibits low density lipoprotein oxidation in vitro.|Inhibition of interleukin-12 and interferon-gamma production in immune cells by tanshinones from Salvia miltiorrhiza.|Analysis of bioactive components in traditional Chinese medicines by molecular biochromatography with alpha1-acid glycoprotein stationary phase. |
Tanshinone IIA|568-72-9|Tanshinone II|Tanshinone B|Dan Shen Ketone|Tanshinon II|1,6,6-Trimethyl-6,7,8,9-tetrahydrophenanthro1,2-bfuran-10,11-dione|UNII-4GPC9FQG6L|4GPC9FQG6L|NSC 686518|Phenanthro1,2-bfuran-10,11-dione, 6,7,8,9-tetrahydro-1,6,6-trimethyl-|MLS001048863|HYXITZLLTYIPOF-UHFFFAOYSA-N|C19H18O3|NSC686519|SMR000387068|1,6,6-trimethyl-8,9-dihydro-7H-naphtho1,2-gbenzofuran-10,11-dione|1,6,6-trimethyl-8,9-dihydro-7H-naphtho1,2-g1benzofuran-10,11-dione|Q-100654|Phenanthro(1,2-b)furan-10,11-dione, 6,7,8,9-tetrahydro-1,6,6-trimethyl-|SR-01000758926|HSDB 8104|Tanshinone A|tanshinone II A|Tanshinone 2-A|Tanshinone Iia ,(S)|Acid Red 5 sodium salt|AC1Q6JLQ|1,6,6-trimethyl-6,7,8,9-tetrahydrophenanthro1,2-bfuran-10,11-dion|AC1L4V8J|BSPBio_001597|BSPBio_002426|KBioGR_000317|KBioSS_000317|MLS006011834|SPECTRUM1505824|CHEMBL187266|cid_164676|SCHEMBL2026738|Tanshinone IIA (Tanshinone B)|BDBM83922|CTK5A5836|KBio2_000317|KBio2_002885|KBio2_005453|KBio3_000633|KBio3_000634|BIB6295|DTXSID60205352|CHEBI:108595|MolPort-002-507-310|Bio2_000317|Bio2_000797|HMS1361P19|HMS1791P19|HMS1989P19|HMS2089H08|HMS2270D15|HMS3402P19|HMS3656C11|NP474|BCP28199|HY-N0135|Tanshinone IIA, analytical standard|ZINC1650576|BBL028449|CT0134|GP2434|MFCD00238692|s2365|STK801917|Tanshinone IIA, >=97% (HPLC)|AKOS004120032|AC-1440|ACN-035345|API0010219|CCG-207955|CCG-208275|NSC-686519|RTR-031585|IDI1_034067|NCGC00095709-01|NCGC00095709-02|NCGC00095709-03|NCGC00095709-04|NCGC00095709-05|NCGC00095709-06|NCGC00095709-08|AK168188|AN-14938|AS-16136|BC205184|NCI60_031209|S594|SC-17279|AB0018692|LS-175776|NCGC00095709-02!TANSHINONE IIA|Tanshinone B, Tanshinone II, 568-72-9|TL8003671|TR-031585|FT-0652880|N1846|SW220025-1|W-2832|568T729|SR-01000758926-2|SR-01000758926-4|SR-01000758926-5|BRD-K00141480-001-03-0|I14-22013|Phenanthro1,11-dione, 6,7,8,9-tetrahydro-1,6,6-trimethyl-|Tanshinone IIA, European Pharmacopoeia (EP) Reference Standard|Tanshinone IIA, United States Pharmacopeia (USP) Reference Standard|1,6,6-Trimethyl-6,7,8,9-tetrahydrophenanthro1,2-bfuran-10,11-dione #|1,6,6-trimethyl-8,9-dihydro-7H-naphtho1,2-gbenzofuran-10,11-quinone|1,6,6-trimethyl-8,9-dihydro-7H-naphtho8,7-gbenzofuran-10,11-dione|6,7,8,9-Tetrahydro-1,6,6-trimethylphenanthro1,2-bfuran-10,11-dione|6,6,14-trimethyl-12-oxatetracyclo8.7.0.0^{2,7}.0^{11,15}heptadeca-1(10),2(7),8,11(15),13-pentaene-16,17-dione|6,6,14-trimethyl-12-oxatetracyclo8.7.0.02,7.011,15heptadeca-1(10),2(7),8,11(15),13-pentaene-16,17-dione| |
| Sinulariolide |
natural product |
Planaxis sulcatus|Sinularia capillosa|Sinularia flexibilis| |
|
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|murine lymphoblastoid cell|Breast Cancer|Ductal Adenocarcinoma|Breast Cancer |
3D viewer |
Pubchem |
|
15699347 |
No Cas |
CC1=CCCC2(C(O2)CC3CCC(C(CC1)O)(OC(=O)C3=C)C)C |
FONRUOAYELOHDC-ZOOQSLMQSA-N |
334.21000 |
C20H30O4 |
1.6753 |
4 |
1 |
59.06 |
4.0 |
24 |
3 |
A soft coral-derived compound, 11-epi-sinulariolide acetate suppresses inflammatory response and bone destruction in adjuvant-induced arthritis.|A soft coral natural product, 11-episinulariolide acetate, inhibits gene expression of cyclooxygenase-2 and interleukin-8 through attenuation of calcium signaling.|Proteomic investigation of the sinulariolide-treated melanoma cells A375: effects on the cell apoptosis through mitochondrial-related pathway and activation of caspase cascade.|Sinulariolide induced hepatocellular carcinoma apoptosis through activation of mitochondrial-related apoptotic and PERK/eIF2/ATF4/CHOP pathway.|Sinulariolide Suppresses Human Hepatocellular Carcinoma Cell Migration and Invasion by Inhibiting Matrix Metalloproteinase-2/-9 through MAPKs and PI3K/Akt Signaling Pathways.|Anticancer Effects of Sinulariolide-Conjugated Hyaluronan Nanoparticles on Lung Adenocarcinoma Cells. |
|
| Isoliquiritigenin |
bioactive compound |
Platymiscium floribundum|Herba sedi sarmentosi|Allium ascalonicum|Glycyrrhiza inflata|Rohdea chinensis|Cicer arietinum|Dalbergia stevensonii|Glycyrrhiza yunnanensis|Apis mellifera ligustica|Onobrychis viciifolia|Tephrosia toxicaria|Panicum miliaceum|Dalbergia sericea|Sophora tomentosa|Glycyrrhiza glabra|Caulis spatholobi|Robinia pseudoacacia|Glycyrrhiza uralensis|Dracaena draco|Muntingia calabura|Dalbergiae odoriferae lignum|Spatholobus suberectus|Boehmeriae rhizoma et radix|Hedysarum multijugum maxim|Polygonati rhizoma|Hedysari radix|Caulis millettiae|Lignum dalbergiae odoriferae rosewood|Wikstroemia viridiflora| |
Gen=Others|Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Cytochrome P450 2C19 - Homo sapiens | Pyruvate kinase - Leishmania mexicana | Pyruvate kinase isozymes M1/M2 - Homo sapiens | Cytochrome P450 2D6 - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Cytochrome P450 3A4 - Homo sapiens | Nuclear factor NF-kappa-B p105 subunit - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Cytochrome P450 1A2 - Homo sapiens| |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|ileocecal colorectal adenocarcinoma |Melanoma|Murine Melanoma|Gen=Others |
3D viewer |
Pubchem |
5YX4 1FP1 4RLU |
638278 |
961-29-5 |
C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O |
|
256.25000 |
C15H12O4 |
2.975 |
1 |
3 |
77.80 |
3.0 |
19 |
2 |
Isoliquiritigenin, an anti-tumor flavonoid from the root of Glycyrrhiza glabra, inhibits aldose reductase with an IC50 of 320 nM. |
N/A |
| Sophocarpine |
bioactive compound |
Sophora flavescens|Eria anomala|Siphonaria capensis|Chondrodendron tomentosum|Epilobium hirsutum|Lycogala epidendrum|Shigella dysenteriae|Euphorbia nematocypha|Embelia schimperi|Baccharis neglecta|Aplophyllum alberti-regelii|Piper regnellii|Cordia leucocephala|Onopordum acanthium|Esenbeckia leiocarpa|Plathymenia reticulata|Gymnocalycium schickendantzii|Atraphaxis spinosa|Planchonia grandis|Helichrysum tenuifolium|Conus mus|Abelia chinensis|Dolabella californica|Hypericum styphelioides|Vernonia fagifolia|Rhinella marina|Monsonia senegalensis|Theonella conica|Haplophyllum obtusifolium|Lemaireocereus longispinus|Asimina parviflora|Ephedra sinica|Syzygium polycephaloides|Lythrum salicaria|Dendronephthya griffini|Centaurea maculosa|Latrunculia magnifica|Diospyros assimilis|Tricholoma columbetta|Morella rubra|Pteridium esculentum|Faramea salicifolia|Myxococcus stipitatus|Erysimum leptophyllum|Pancratium sickenbergeri|Erythrina melanacantha|Simarouba glauca|Vellozia nanuzae|Embelia parviflora| |
Gen=Others |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Esophageal and Esophagogastric Junction Cancers|Esophageal squamous cell carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
115269 |
6483-15-4 |
C1CC2CN3C(CC=CC3=O)C4C2N(C1)CCC4 |
|
246.35000 |
C15H22N2O |
1.394 |
1 |
0 |
23.60 |
0.0 |
18 |
4 |
Sophocarpine, a major ingredient of Sophora alopecuroides, has a wide range of pharmacological effects. |
N/A |
| Astragaloside A |
bioactive compound |
Astragalus membranaceus|Penicillium glabrum|Xestospongia deweerdtae|Stachys bombycina|Darlingia ferruginea|Hunteria congolana|Astragalus mongholicus|Hedysarum polybotrys|Usnea pectinata |
Gen=Calcium Channel|Org=Hepatitis B virus | Duck hepatitis B virus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-Hodgkin's Lymphomas|Chronic Lymphocytic Leukemia|Gen=Transmembrane Transporters |
3D viewer |
Pubchem |
|
13943299 |
83207-58-3 |
CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(CO8)O)O)O)C |
|
784.97000 |
C41H68O14 |
-0.348 |
5 |
8 |
228.00 |
7.0 |
55 |
8 |
Astragaloside A (Astragaloside IV) is the primary pure saponin isolated from Astragalus membranaceus, which has been widely used for the treatment of cardiovascular diseases. |
N/A |
| Gossypetin-8-Glucoside |
natural product |
Hibiscus vitifolius|Fioria vitifolia|Rhododendron dauricum |
Path=CCND1 pathway|MAP3K14 pathway|MMP9 pathway|MYC pathway|NFKB1 pathway|NFKBIA pathway|PTGS2 pathway|RELA pathway|TNFRSF1A pathway|TNFSF11 pathway|TRADD pathway|TRAF2 pathway|VEGFA pathway|PARP1 pathway| |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Kidney Cancer|Embryonic Kidney Carcinoma|Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma |
3D viewer |
Pubchem |
|
5281621 |
Gossypetin-8-glucoside |
C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O |
SJRXVLUZMMDCNG-KKPQBLLMSA-N |
480.09000 |
C21H20O13 |
-5.0084 |
7 |
9 |
226.83 |
13.0 |
34 |
4 |
Anti-inflammatory activity and inhibition of arachidonic acid metabolism by flavonoids.|Flavonoid-induced delay in the small intestinal transit: possible mechanism of action.|Application of the electrotopological state index to QSAR analysis of flavone derivatives as HIV-1 integrase inhibitors.|Inhibitory activity of flavonoids and tannins against HIV-1 protease.|Gossypin up-regulates LDL receptor through activation of ERK pathway: a signaling mechanism for the hypocholesterolemic effect.|The flavonoid glycosides, myricitrin, gossypin and naringin exert anxiolytic action in mice. |
Gossypin|652-78-8|Gossypetin-8-glucoside|UNII-A3Q367XWX9|NSC 656276|BRN 0071526|Gossypetin 8-O-glucoside|A3Q367XWX9|CHEBI:5525|3,5,7,8,3',4'-Hexahydroxyflavone-8-glucoside|Gossypetin 8-glucoside|ST057186|2-(3,4-Dihydroxyphenyl)-8-(beta-D-glucopyranosyloxy)-3,5,7-trihydroxy-4H-1-benzopyran-4-one|4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-(beta-D-glucopyranosyloxy)-3,5,7-trihydroxy-|A1-00786|2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yloxychromen-4-one|2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yloxy-chromen-4-one|4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-(.beta.-D-glucopyranosyloxy)-3,5,7-trihydroxy-|Gossypin (4)|AC1NQYR1|Gossypetin-8-O-glucoside|4-18-00-03589 (Beilstein Handbook Reference)|CHEMBL402915|SCHEMBL1156121|Gossypin, >=90% (HPLC)|DTXSID60215512|SJRXVLUZMMDCNG-KKPQBLLMSA-N|BDBM153264|ZINC4098515|MFCD00017429|AKOS024282592|API0002861|CC-29067|LS-39608|FT-0626803|3,5,7,3',4'-Pentahydroxy-8-O-glucosylflavone|3,3',4',5,7,8-Hexahydroxyflavone-8-glucoside|C-22797|BRD-K05485208-001-01-1|2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl beta-D-glucopyranoside|2-(3,4-dihydroxy-phenyl)-3,5,7-trihydroxy-8-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-chromen-4-one|2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-8-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-chromen-4-one|2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-1-benzopyran-8-yl beta-D-glucopyranoside|2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one|2-(3,4-Dihydroxyphenyl)-8-(beta-D-glucopyranosyloxy)-3,5,7-trihydroxy- 4H-1-benzopyran-4-one, 3,3',4',5,7,8-Hexahydroxyflavone 8-glucoside|8-(2S,4S,5S,3R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetrahydropy ran-2-yloxy)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one| |
| Junceol A |
natural product |
Virgularia juncea|Corbicula japonica|Euphorbia copiapina|Microtropis triflora|Tetraphis pellucida|Piptolepis ericoides |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
10016534 |
366788-43-4 |
CC1CCC(C2(C1=CC(CC2)C(C)(C)OC(=O)C)C)O |
FORUHHDUOITCNL-BYMSMCERSA-N |
280.20000 |
C17H28O3 |
0.6595 |
3 |
1 |
46.53 |
9.0 |
20 |
2 |
|
|
| Gambogic Acid |
bioactive compound |
Garcinia hanburyi|Garcinia hanburryi|Croton discolor| |
Path=BCL2 pathway|BCL2L1 pathway|BIRC2 pathway|BIRC3 pathway|CCND1 pathway|ICAM1 pathway|MMP9 pathway|MYC pathway|PTGS2 pathway|RELA pathway|TRAF1 pathway|VEGFA pathway|CDC2 pathway|CDK1 pathway|CKD7 pathway|MAPK14 pathway|MAPK8 pathway|Gen=Bcl-2,Caspase|Cruzipain - Trypanosoma cruzi | Arachidonate 15-lipoxygenase - Homo sapiens | Arachidonate 15-lipoxygenase, type II - Homo sapiens | Vitamin D receptor - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | 78 kDa glucose-regulated protein - Homo sapiens | Ferritin light chain - Equus caballus | Nuclear receptor ROR-gamma - Mus musculus | Histone acetyltransferase GCN5 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Survival motor neuron protein - Homo sapiens|Acetylcholinesterase - Electrophorus electricus | Thioredoxin, mitochondrial - Homo sapiens | Inhibitor of nuclear factor kappa B kinase beta subunit - Homo sapiens | Thioredoxin - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Induced myeloid leukemia cell differentiation protein Mcl-1 - Homo sapiens | Cholinesterase - Equus caballus |Org= Staphylococcus aureus |
Dis=Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Human umbilical vein endothelial cell|Non-small Cell Lung Cancer|Lewis Lung carcinoma |Gen=Apoptosis |
3D viewer |
Pubchem |
|
9852185 |
2752-65-0 |
CC(=CCCC1(C=CC2=C(O1)C(=C3C(=C2O)C(=O)C4=CC5CC6C4(O3)C(C5=O)(OC6(C)C)CC=C(C)C(=O)O)CC=C(C)C)C)C |
|
628.75000 |
C38H44O8 |
6.957 |
6 |
1 |
119.00 |
8.0 |
46 |
4 |
Gambogic Acid activates caspases with EC50 of 0.78-1.64 &muM and competitively inhibits Bcl-XL, Bcl-2, Bcl-W, Bcl-B, Bfl-1 and Mcl-1 with IC50 of 1.47, 1.21, 2.02, 0.66, 1.06 and 0.79 &muM, respectively. |
Guttatic Acid, Guttic Acid |
| Artemisin |
natural product |
Artemisia annua|Massa medicata fermentata |
Path=MMP2 pathway|CDK2 pathway|CDK4 pathway|RB1 pathway|SP1 pathway|Gen=Anti-infection|Org=Plasmodium falciparum 3D7 | Plasmodium falciparum | Plasmodium berghei | Plasmodium falciparum (isolate K1 / Thailand) | Plasmodium falciparum D6|Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | TAR DNA-binding protein 43 - Homo sapiens | Nonstructural protein 1 - Influenza A virus | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis |Org= Plasmodium falciparum|Histidine-rich protein - Plasmodium falciparum | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Cytochrome P450 2B6 - Homo sapiens | Geminin - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Cytochrome P450 1A2 - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Cholinesterase - Equus caballus | Ferritin light chain - Equus caballus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens |Org= Plasmodium berghei | Plasmodium falciparum 3D7 | Ipomoea grandifolia | Toxoplasma gondii | Plasmodium falciparum (isolate FcB1 / Columbia) | Leishmania donovani | Trypanosoma cruzi | Epilachna | Issatchenkia orientalis | Plasmodium yoelii nigeriensis | Candida albicans | Trypanosoma brucei rhodesiense | Gallus gallus | Filobasidiella neoformans | Urochloa decumbens | Plasmodium vinckei petteri | Balamuthia mandrillaris | Hepatitis B virus | Giardia intestinalis | Plasmodium falciparum NF54 | Fusarium oxysporum|Androgen Receptor - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Huntingtin - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Melanoma|malignant melanoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=Microbiology |
3D viewer |
Pubchem |
|
44266427 |
No Cas |
CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)C |
BLUAFEHZUWYNDE-XRNKLDBLSA-N |
282.15000 |
C15H22O5 |
0.8012 |
5 |
0 |
53.99 |
3.0 |
20 |
3 |
|
|
| Buddledin C |
natural product |
Subergorgia suberosa|Buddleja globosa |
Arachidonate 5-lipoxygenase - Rattus norvegicus |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
5352042 |
No Cas |
CC1=CCCC(=C)C2CC(C2CC1=O)(C)C |
KXSUIPOSVGSLQP-PGJRDNSLSA-N |
218.17000 |
C15H22O |
2.6819 |
1 |
0 |
17.07 |
3.0 |
16 |
2 |
|
|
| Kavain |
natural product |
Piper methysticum |
Path=ABCB1 pathway|NFKB1 pathway|Geminin - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Retinoid X receptor alpha - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Nuclear receptor ROR-gamma - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | TAR DNA-binding protein 43 - Homo sapiens | Nuclear receptor subfamily 1 group I member 2 - Rattus norvegicus | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Androgen Receptor - Homo sapiens |Org= Fusarium oxysporum | Plasmodium falciparum | Fusarium solani | Echinochloa crus-galli | Lactuca sativa |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Bladder Cancer|Bladder carcinoma|Transitional Cell Carcinoma|Org=Fusarium oxysporum | Plasmodium falciparum | Fusarium solani | Echinochloa crus-galli | Lactuca sativa |
3D viewer |
Pubchem |
|
5281565 |
500-64-1 |
COC1=CC(=O)OC(C1)C=CC2=CC=CC=C2 |
XEAQIWGXBXCYFX-GUOLPTJISA-N |
230.09000 |
C14H14O3 |
0.4444 |
3 |
0 |
35.53 |
4.0 |
17 |
2 |
Kavain, dihydrokavain, and dihydromethysticin non-competitively inhibit the specific binding of [3H]-batrachotoxinin-A 20-alpha-benzoate to receptor site 2 of voltage-gated Na+ channels.|Neuroprotective effects of (+/-)-kavain in the MPTP mouse model of Parkinson's disease.|Kava pyrones exert effects on neuronal transmission and transmembraneous cation currents similar to established mood stabilizers--a review.|Inhibition of cytochrome P450 3A4 by extracts and kavalactones of Piper methysticum (Kava-Kava).|Kinetics of kavain and its metabolites after oral application.|Pharmacokinetics and disposition of the kavalactone kawain: interaction with kava extract and kavalactones in vivo and in vitro. |
Kawain|kavain|500-64-1|(+)-Kavain|(R)-(+)-Kavain|Kavain, dl-|Gonosan|L-KAWAIN|Kawaih|UNII-W1ES06373M|CHEBI:6117|W1ES06373M|NSC 112162|EINECS 207-907-2|(R)-5,6-Dihydro-4-methoxy-6-styryl-2H-pyran-2-one|2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-styryl-, (+)-|4-Methoxy-6-(beta-phenylvinyl)-5,6-dihydro-alpha-pyrone|5-Hydroxy-3-methoxy-7-phenyl-2,6-heptadienoic acid gamma-lactone|2H-PYRAN-2-ONE, 5,6-DIHYDRO-4-METHOXY-6-STYRYL-, (R)-|Kavaform (TN)|CAS-500-64-1|AC1NQYMY|Prestwick2_000207|Prestwick3_000207|(R-(E))-5,6-Dihydro-4-methoxy-6-styryl-2H-pyran-2-one|DSSTox_CID_13595|DSSTox_RID_79087|DSSTox_GSID_33595|BSPBio_000193|MLS002154236|SCHEMBL515202|BPBio1_000213|CHEMBL578607|DTXSID5033595|CHEBI:92164|MolPort-006-069-352|XEAQIWGXBXCYFX-GUOLPTJISA-N|HMS1568J15|HMS2095J15|HMS2230N15|HY-B1671|ZINC1703459|Tox21_200907|8163AH|NSC112162|AKOS030631732|MCULE-6416239526|NSC-112162|NCGC00091905-01|NCGC00091905-02|NCGC00091905-03|NCGC00091905-05|NCGC00258461-01|CJ-28789|SMR001233508|AB00513818|CS-0013634|C09947|D08096|Q-100559|BRD-K09497549-001-03-6|(R,E)-4-methoxy-6-styryl-5,6-dihydro-2H-pyran-2-one|2H-Pyran-2-one,6-dihydro-4-methoxy-6-styryl-, (+)-|2H-Pyran-2-one,6-dihydro-4-methoxy-6-styryl-, (R)-|(2R)-4-methoxy-2-(E)-styryl-2,3-dihydropyran-6-one|UNII-5L1NI60TGB component XEAQIWGXBXCYFX-GUOLPTJISA-N|(2R)-4-methoxy-2-(E)-2-phenylethenyl-2,3-dihydropyran-6-one|(6R)-4-methoxy-6-(E)-2-phenylvinyl-5,6-dihydro-2H-pyran-2-one|2H-Pyran-2-one,6-dihydro-4-methoxy-6-(2-phenylethenyl)-, R-(E)-|2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(2-phenylethenyl)-, (R-(E))- (9CI)|NCGC00091905-05_C14H14O3_(6R)-4-Methoxy-6-(E)-2-phenylvinyl-5,6-dihydro-2H-pyran-2-one| |
| Isolushinin H |
natural product |
Isodon rubescens |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Breast Adenocarcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |
3D viewer |
Pubchem |
|
46849338 |
No Cas |
CC(=O)OCC12CCCC(C1CC(C34C2CCC(C3O)C(=C)C4=O)O)(C)CO |
FXCNPYAMOXBWKN-KZUMAVRESA-N |
392.22000 |
C22H32O6 |
-1.7233 |
6 |
3 |
104.06 |
9.0 |
28 |
4 |
|
|
| Claviridenone E |
natural product |
Clavularia viridis|clavularia violacea |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
11349752 |
No Cas |
CCCCCC=CCC1(C=CC(=O)C1=CC=CCCCC(=O)OC)OC(=O)C |
NPTOZTAHJVTRAS-VSHWWUBXSA-N |
388.22000 |
C23H32O5 |
0.4579 |
5 |
0 |
69.67 |
17.0 |
28 |
1 |
|
|
| (-)-Catechingallate |
natural product |
Diospyros kaki|Vitis vinifera|Scutellaria amoena|Dumortiera hirsuta|Annona cornifolia|Pseudoalteromonas luteoviolacea|Rheum coreanum|Zanthoxylum tetraspermum|Rheum officinale|Rauvolfia vomitoria|Eucalyptus melliodora|Pastinaca sativa|Rheum palmatum|Lepisorus ussuriensis|Rheum tanguticum|Cotyledon secunda|Hypericum laricifolium|Premna odorata|Goniothalamus malayanus|Leathesia nana|Vaccinium oxycoccos|Salvia syriaca|Chaenomeles sinensis|Rumex maritimus|Viguiera incana|Wikstroemia retusa|Astragalus sempervirens|Gnetum latifolium|Caragana aurantiaca|Marrubium anisodon|Blastochloris viridis|Bishovia boliviensis|Calostephane divaricata|Sinularia depressa|Lysimachia mauritiana|Solanum laxum|Acacia adunca|Anacystis montana|Swertia franchetiana|Laurencia spectabilis|Amathia pinnata|Phoebe pittieri|Streptomyces avermitilis|green tea|Adiantum lunulatum|Sabina sargentii|Drechslera avenae|Asterospicularia laurae|Ipomoea digitata|Naucleopsis ternstroemiiflora|Hedysarum connatum|Alstonia spathulata|Artemisia assoana|Helipterum roseum|Peltostigma guatemalense|Nasutitermes ephratae |
Path=ODC1 pathway|Apoptosis regulator Bcl-2 - Homo sapiens |Org= Plasmodium falciparum (isolate FcB1 / Columbia)|3-oxoacyl-acyl-carrier protein reductase - Plasmodium falciparum | 6-phosphogluconate dehydrogenase - Homo sapiens | Glucose-6-phosphate 1-dehydrogenase - Saccharomyces cerevisiae S288c | Fatty acid synthase - Plasmodium falciparum | Enoyl-acyl-carrier protein reductase - Plasmodium falciparum | Beta-secretase 1 - Homo sapiens |Org= Plasmodium falciparum |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Gen=Others |
3D viewer |
Pubchem |
6DHL |
6419835 |
130405-40-2 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
LSHVYAFMTMFKBA-CTNGQTDRSA-N |
442.09000 |
C22H18O10 |
-3.5057 |
2 |
7 |
177.14 |
11.0 |
32 |
4 |
Green tea catechins as a BACE1 (beta-secretase) inhibitor.|Inhibition of Plasmodium falciparum fatty acid biosynthesis: evaluation of FabG, FabZ, and FabI as drug targets for flavonoids.|Mass spectrometry-based systems approach for identification of inhibitors of Plasmodium falciparum fatty acid synthase.|Flavonoids as opioid receptor ligands: identification and preliminary structure-activity relationships.|Catechin gallates are NADP+-competitive inhibitors of glucose-6-phosphate dehydrogenase and other enzymes that employ NADP+ as a coenzyme.|Integrated ligand and structure based studies of flavonoids as fatty acid biosynthesis inhibitors of Plasmodium falciparum. |
(-)-Catechin gallate|130405-40-2|(2S,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychroman-3-yl 3,4,5-trihydroxybenzoate|catechin gallate|UNII-0KT1FO6VO6|ent-Catechin 3-O-gallate|0KT1FO6VO6|CHEMBL129451|CHEBI:76131|(2S,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-(3,4,5-trihydroxybenzoate)|(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate|(-)-Catechin gallate(CG)|(-)-CATECHINGALLATE|Catechin gallate, (-)-|CCRIS 9303|Catechin gallateCG|(?)-Catechin gallate|AC1O4WEY|(-)-catechin 3-o-gallate|(-)-catechin-3-o-gallate|SCHEMBL4639342|CTK8B7907|DTXSID70156528|MolPort-003-940-604|Benzoic acid, 3,4,5-trihydroxy-, (2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester|HY-N0356|ZINC8681494|(-)-CG|5561AA|ANW-58915|BDBM50135169|LMPK12020091|MFCD00214258|AKOS016002019|CS-3758|AJ-57906|RT-011852|FT-0664410|ST24034089|KS-00001810|S00277|405C402|Q-100119|(-)-Catechin gallate; 3-(3,4,5-trihydroxybenzoate)|(-)-Catechin gallate, >=98% (HPLC), from green tea|(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl 3,4,5-trihydroxybenzoate|(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate|3,4,5-Trihydroxy-benzoic acid (2S,3R)-2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester|3,4,5-Trihydroxybenzoic Acid (2S,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl Ester|Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (2S-trans)-| |
| 1,6-Dimethyl-1,2-Dihydronaphtho[1,2-G][1]Benzofuran-10,11-Dione |
natural product |
Salvia digitaloides|Salvia miltiorrhizae |Salvia trijuga|Salvia prionitis|Salvia przewalskll|Salvia miltiorrhiza|Aquilaria sinensis|Salvia przewalskii |
Path=CASP3 pathway|CASP8 pathway|CASP9 pathway|PARP1 pathway|BAX pathway|N/A|Microtubule-associated protein tau - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Prelamin-A/C - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Lysine-specific demethylase 4D-like - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | Vitamin D receptor - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Breast Adenocarcinoma|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |
3D viewer |
Pubchem |
4M0E |
5316743 |
87205-99-0 |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C=CC=C4C |
HARGZZNYNSYSGJ-UHFFFAOYSA-N |
278.09000 |
C18H14O3 |
-0.0693 |
3 |
0 |
43.37 |
2.0 |
21 |
4 |
|
Dihydrotanshinone I|DIHYDROTANSHINONE|87205-99-0|CHEMBL1358724|(-)-Dihydrotanshinone I|Q-100873|AC1NSULT|BSPBio_002470|SPECTRUM1505825|SCHEMBL5940466|BDBM50391428|AKOS015903073|CCG-214427|NCGC00095712-01|NCGC00095712-02|AC-22922|AN-35534|FT-0686597|205D990|I14-18551|1,6-dimethyl-1,2-dihydrophenanthro1,2-bfuran-10,11-dione|1,6-dimethyl-1,2-dihydronaphtho1,2-g1benzofuran-10,11-dione|1,6-dimethyl-1,2-dihydronaphtho1,2-gbenzofuran-10,11-dione| |
| Hachijodine E |
natural product |
Amphidinium sp|Xestospongia bergquistii|xestospongia|amphimedon |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
10244668 |
No Cas |
CN(CCCCCCCCCCCCCC1=CN=CC=C1)O |
BIWXINAQTYJZGO-UHFFFAOYSA-N |
306.27000 |
C19H34N2O |
-3.4388 |
1 |
1 |
36.36 |
16.0 |
22 |
1 |
|
|
| Alloxanthoxyletin |
natural product |
Zanthoxylum americanum |
Carbonic anhydrase II - Homo sapiens | Carbonic anhydrase IX - Homo sapiens | Carbonic anhydrase I - Homo sapiens | Carbonic anhydrase XIII - Homo sapiens | Carbonic anhydrase VII - Homo sapiens | Carbonic anhydrase XII - Homo sapiens |Org= Pseudomonas aeruginosa | Staphylococcus aureus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Org=Pseudomonas aeruginosa | Staphylococcus aureus |
3D viewer |
Pubchem |
|
5317485 |
731-75-9 |
CC1(C=CC2=C(C=C3C(=C2O1)C=CC(=O)O3)OC)C |
WTBVBNPZXAQTHI-UHFFFAOYSA-N |
258.09000 |
C15H14O4 |
1.126 |
1 |
0 |
44.76 |
4.0 |
19 |
3 |
Natural product coumarins that inhibit human carbonic anhydrases. |
Alloxanthoxyletin|UNII-8ZB2VP1WPQ|8ZB2VP1WPQ|731-75-9|Alloxanthyletin|AC1NSVO4|CHEMBL479462|DTXSID80223371|BDBM50428431|5-methoxy-2,2-dimethylpyrano2,3-hchromen-8-one|5-methoxy-2,2-dimethyl-pyrano2,3-hchromen-8-one| |
| Gomisin A |
natural product |
Schisandra chinensis|Kadsura interior|Panax ginseng |
Multidrug resistance-associated protein 1 - Homo sapiens |
Dis=Central Nervous System Cancers|Colorectal Cancer|Colorectal Adenocarcinoma|Neuroendocrine Tumors|Pheochromocytoma|Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma |
3D viewer |
Pubchem |
|
15608605 |
No Cas |
CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1(C)O)OC)OC)OC)OC)OCO3 |
ZWRRJEICIPUPHZ-DAOPMYJZSA-N |
416.18000 |
C23H28O7 |
-0.0398 |
1 |
1 |
75.61 |
11.0 |
30 |
4 |
Effect of gomisin A in an immunologically-induced acute hepatic failure model.|Effect of gomisin A (TJN-101) on the arachidonic acid cascade in macrophages.|The effect of gomisin A on immunologic liver injury in mice.|Occurrence of autoimmune antibodies to liver microsomal proteins associated with lethal hepatitis in LEC rats: effects of TJN-101 ((+)-(6S,7S,R-biar)- 5,6,7,8-tetrahydro-1,2,3,12-tetramethoxy-6,7-dimethyl-10,11- methylenedioxy-6-dibenzo[a,c]cyclooctenol) on the development of hepatitis and the autoantibodies.|Dibenzocyclooctadiene lignans: a class of novel inhibitors of multidrug resistance-associated protein 1.|Amyloid-beta-induced cytotoxicity of PC-12 cell was attenuated by Shengmai-san through redox regulation and outgrowth induction. |
|
| (-)-Epigallocatechin Gallate |
natural product |
Diospyros kaki|Myrica rubra|Camellia sinensis|Prunus persica|Punica granatum|green tea |
Path=ODC1 pathway|ABCG2 pathway|BCL2 pathway|BAX pathway|CASP3 pathway|PARP1 pathway|AR pathway|PSA pathway|N/A|CDK4 pathway|PCNA pathway|Gen=DNA Methyltransferase,HER2,Telomerase,EGFR,Fatty Acid Synthase|15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Arachidonate 15-lipoxygenase - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Histone acetyltransferase GCN5 - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Vitamin D receptor - Homo sapiens | DNA polymerase kappa - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | HERG - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Galactokinase - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis|Beta-secretase 1 - Homo sapiens|Beta-secretase 1 - Homo sapiens | Fucosyltransferase 4 - Homo sapiens | CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase - Homo sapiens | Alpha-(1,3)-fucosyltransferase 7 - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Basophilic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|Uterine Neoplasms|leiomyoma|Gen=DNA Damage |
3D viewer |
Pubchem |
4E1A 4KQR 4KQK 4KQO |
2824823 |
84650-60-2 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
WMBWREPUVVBILR-RXVVDRJESA-N |
458.08000 |
C22H18O11 |
-3.966 |
2 |
8 |
197.37 |
12.0 |
33 |
4 |
|
CHEMBL338988|AC1ME8AY|SCHEMBL1853219|84650-60-2|ZINC3870415|BDBM50135163|AKOS030627560|2beta-(3,4,5-Trihydroxyphenyl)-3beta-(3,4,5-trihydroxybenzoyloxy)chroman-5,7-diol|(2S,3S)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate|3,4,5-Trihydroxy-benzoic acid (2S,3S)-5,7-dihydroxy-2-(3,4,5-trihydroxy-phenyl)-chroman-3-yl ester |
| Sulforaphane |
natural product |
Brassica oleracea|Brassica spp|Homo sapiens|Cardaria draba|Lepidium draba|Raphanus sativus|Codonopsis pilosula|Brassica oleracea var. sabauda |
Path=BCL2 pathway|BAX pathway|TP53 pathway|AHR pathway|PTGS2 pathway|none|MMP9 pathway|CASP3 pathway|CASP9 pathway|PARP1 pathway|VIM pathway|CDKN1A pathway|KLF4 pathway|Quinone oxidoreductase - Mus musculus | Quinone reductase 1) - Homo sapiens | NAD(P)H dehydrogenase [quinone] 1 - Mus musculus | Monoamine oxidase A - Homo sapiens | Cytochrome P450 1A1 - Mus musculus | Monoamine oxidase B - Homo sapiens | Kelch-like ECH-associated protein 1 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Mus musculus | Macrophage migration inhibitory factor - Homo sapiens | Nitric oxide synthase, inducible - Mus musculus | Epidermal growth factor receptor erbB1 - Homo sapiens |Org= Trypanosoma cruzi |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Brain Tumor|Medulloblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Fibrosarcoma|Gastrointestinal Cancer|Gastric carcinoma|Melanoma|Murine Melanoma|Org=Trypanosoma cruzi |
3D viewer |
Pubchem |
|
5350 |
4478-93-7 |
CS(=O)CCCCN=C=S |
SUVMJBTUFCVSAD-UHFFFAOYSA-N |
177.03000 |
C6H11NOS2 |
-0.9316 |
2 |
0 |
80.73 |
6.0 |
10 |
0 |
Role of a mitogen-activated protein kinase pathway in the induction of phase II detoxifying enzymes by chemicals.|Inhibition of human cytochrome P450 enzymes by 1,2-dithiole-3-thione, oltipraz and its derivatives, and sulforaphane.|Inhibition of benzo[a]pyrene- and 1,6-dinitropyrene-DNA adduct formation in human mammary epithelial cells bydibenzoylmethane and sulforaphane.|Inhibition of CYP2E1 with natural agents may be a feasible strategy for minimizing the hepatotoxicity of ethanol.|Reactive oxygen species-related induction of multidrug resistance-associated protein 2 expression in primary hepatocytes exposed to sulforaphane.|The Cap'n'Collar basic leucine zipper transcription factor Nrf2 (NF-E2 p45-related factor 2) controls both constitutive and inducible expression of intestinal detoxification and glutathione biosynthetic enzymes. |
sulforaphane|4478-93-7|Sulforafan|DL-Sulforaphane|1-Isothiocyanato-4-(methylsulfinyl)butane|L-Sulforaphane|D,L-Sulforaphane|Sulforaphane (unspecified)|R,S-Sulforaphane|C6H11NOS2|1-isothiocyanato-4-methylsulfinylbutane|Sulforaphane Racemate|CCRIS 7221|CHEBI:47807|1-Isothiocyanato-4-(methylsulfinyl)-butane|Butane, 1-isothiocyanato-4-(methylsulfinyl)-|SUVMJBTUFCVSAD-UHFFFAOYSA-N|4-(Methylsulfinyl)Butyl Isothiocyanate|1-Isothiocyanato-4-methylsulfinyl)butane|Butane,1-isothiocyanato-4-(methylsulfinyl)-|Q-100160|Sulphoraphane|SFN|Sulforaphane Extract|Broccoli sprout extracts|UNII-7J94TPZ10L|Butane, 1-isothiocyanato-4-((S)-methylsulfinyl)-|Butane, 1-isothiocyanato-4-(S)-methylsulfinyl-|7J94TPZ10L|Sulforaphan|Sulforathane|methylsulfoxybutylisothiocyanate|4-methylsulphinylbutyl glucosinolate|(-)1-Isothiocyanato-4R-methylsulfinyl)butane|Sulforaphane, (S)-|Butane,1-isothiocyanato-4-(R)-methylsulfinyl-|AC1Q7EXG|AC1L1K5N|CHEMBL48802|SCHEMBL105202|GTPL6569|DTXSID8036732|CTK4I8459|EBD8820|MolPort-003-850-350|4-Methylsulfinyl butyl isothiocyanate|BDBM50073654|BN0741|FCH834823|MFCD09039283|NSC749790|4-isothiocyanatobutyl methyl sulfoxide|AKOS006282481|API0015875|CS-7809|NSC-749790|TRA0004535|VC31091|1-isothiocyanato-4-methanesulfinylbutane|HY-13755|LS-45925|AB1008924|1-Isothiocyanato-4-(methylsulfinyl)butane #|FT-0674750|Y0196|478S937|DL-Sulforaphane, >=90% (HPLC), synthetic, liquid|I09-1948|BRD-A58955223-001-02-0|Butane, 1-isothiocyanato-4-(methylsulfinyl)-, (S)-| |
| Sclerophytin A |
natural product |
Virgularia juncea|Cladiella pachyclados|octocorallia sp. |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
11325231 |
No Cas |
CC(C)C1CCC(=C)C2C1C3C(CCC(C(CC2O3)(C)O)O)(C)O |
BEAXQAULPSVWQY-QXXRKKQISA-N |
338.25000 |
C20H34O4 |
-0.3975 |
4 |
3 |
69.92 |
8.0 |
24 |
3 |
The sclerophytin A adventure.|Synthesis and anticancer activity of sclerophytin-inspired hydroisobenzofurans. |
|
| Methyl (1S,4As,5As,6R,10As)-1-Methyl-2'-Oxospiro[1,4A,5,5A,7,8,10,10A-Octahydropyrano[3,4-F]Indolizine-6,3'-1H-Indole]-4-Carboxylate |
natural product |
Uncaria tomentosa|Nostoc linckia|Mentha lavandulacea|Uncariae ramulus cumuncis|Uncaria macrophylla|Uncaria rhynchophylla|Uncaria sinensis|Agaricus arvensis|Andropogon polyneuros|Mentzelia albescens|Archangium disciforme|Almeidea guyanensis|Spongia irregularis|Rumex chalepensis|Fusarium caucasicum|Chaetomium chiversii|Origanum majorana|Verbesina sphaerocephala|Capsicum annuum|Corchorus capsularis |
Path=BCL2 pathway|Lysosomal alpha-glucosidase - Homo sapiens | Huntingtin - Homo sapiens | Alpha-synuclein - Homo sapiens | Geminin - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia |
3D viewer |
Pubchem |
|
10429112 |
5629-60-7 |
CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O |
JMIAZDVHNCCPDM-QLMFUGSGSA-N |
368.17000 |
C21H24N2O4 |
-0.6854 |
6 |
1 |
71.36 |
5.0 |
27 |
5 |
Pteropodine and isopteropodine positively modulate the function of rat muscarinic M(1) and 5-HT(2) receptors expressed in Xenopus oocyte.|Microsphere-based protease assays and screening application for lethal factor and factor Xa.|Antigenotoxic, antioxidant and lymphocyte induction effects produced by pteropodine.|High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.|Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
Pteropodine|Uncarine c|5629-60-7|UNII-W24PZJ9QRZ|W24PZJ9QRZ|CHEBI:81203|SMR000232338|NSC 113093|UNCARINE C(P)|MLS000563444|MLS000728612|CHEMBL1449034|HMS2204B03|ZINC8829465|C17595|Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19alpha,20alpha)-|(1'S,3R,4a'S,5a'S,10a'S)-methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiroindoline-3,6'-pyrano3,4-findolizine-4'-carboxylate| |
| Carnosic Acid |
natural product |
Rosmarinus officinalis|Chamaemelum fuscatum|Isodon adenolomus|Salvia officinalis|Achyrocline bogotensis|Tylophora atrofolliculata|Caria ino|Verbesina virgata|Dasymaschalon blumei|Penicillium pedemontanum|Cetraria ciliaris|Alstonia yunnanensis|Acer pictum subsp. okamotoanum|Protoparmeliopsis peltata|Doriopsilla areolata|Dalea versicolor|Sideritis cystosiphon|Senecio fuertesii|Scutellaria albida|Pholiota adiposa|Felimare midatlantica|Aspilia hispida|Blepharisma japonicum|Arthropsis truncata|Stachys tuberifera|Thymus quinquecostatus|Thymus vulgaris|Exodermis poria |
Gen=ROS|Protease - Human immunodeficiency virus 1 | Microtubule-associated protein tau - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Arachidonate 12-lipoxygenase - Homo sapiens | Vitamin D receptor - Homo sapiens | Ferritin light chain - Equus caballus | Arachidonate 15-lipoxygenase, type II - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | Pancreatic lipase - Homo sapiens | Prostaglandin E synthase - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis |Org= Human immunodeficiency virus 1 |
Dis=Acute Myeloid Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
|
65126 |
3650-09-7 |
CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)O |
QRYRORQUOLYVBU-VBKZILBWSA-N |
332.20000 |
C20H28O4 |
-0.0192 |
2 |
3 |
77.76 |
9.0 |
24 |
3 |
Antioxidant and pro-oxidant properties of active rosemary constituents: carnosol and carnosic acid.|[Effect of salvin on the synthesis of macromolecules in Staphylococcus aureus 209P].|[Effect of salvin on the incorporation of labeled precursors into macromolecular compounds of Staphylococcus aureus 209P].|Inhibitory effect of carnosic acid on HIV-1 protease in cell-free assays [corrected].|Lycopene synergistically inhibits LDL oxidation in combination with vitamin E, glabridin, rosmarinic acid, carnosic acid, or garlic.|Carnosic acid inhibits proliferation and augments differentiation of human leukemic cells induced by 1,25-dihydroxyvitamin D3 and retinoic acid. |
Carnosic acid|3650-09-7|Salvin|UNII-LI791SXT24|LI791SXT24|CHEBI:65585|11,12-dihydroxyabieta-8,11,13-trien-20-oic acid|NSC694080|Carnosic acid from Rosmarinus officinalis|RoseOx|11,12-dihydroxy-13-isopropylpodocarpa-8,11,13-trien-17-oic acid|(4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-(propan-2-yl)-1,3,4,9,10,10a-hexahydrophenanthrene-4a(2H)-carboxylic acid|(4aR,10aS)-5,6-Dihydroxy-7-isopropyl-1,1-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-4a-carboxylic Acid|139236-75-2|4a(2H)-Phenanthrenecarboxylic acid, 1,3,4,9,10,10a-hexahydro-5,6-dihydroxy-1,1-dimethyl-7-(1-methylethyl)-, (4aR-trans)-|Carnosic-acid|Carsonic acid|PubChem13039|UPCMLD-DP056|AC1L22NG|BIFK0050|CHEMBL484853|SCHEMBL9923661|UPCMLD-DP056:001|CTK8B3993|MolPort-005-943-409|QRYRORQUOLYVBU-VBKZILBWSA-N|BCPP000299|Carnosic acid, analytical standard|BCP03689|HY-N0644|ZINC3984016|ANW-43614|BDBM50371232|MFCD02259459|AKOS015901362|AC-6030|BCP9000491|CCG-207954|NSC-694080|SMP2_000204|NCGC00161623-01|AS-31052|BC226268|NCI60_033653|SC-70968|BCP0726000155|LS-174601|TR-014951|C3477|CS-0009671|FT-0603643|N2759|C21818|650C097|SR-05000002202|SR-05000002202-2|I14-15186|Carnosic acid, primary pharmaceutical reference standard|Carnosic acid from Rosmarinus officinalis, >=91%, powder|Carnosic acid, United States Pharmacopeia (USP) Reference Standard|Podocarpa-8,11,13-trien-17-oic acid, 11,12-dihydroxy-13-isopropyl-|(4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid|(4aR,10aS)-5,6-Dihydroxy-7-isopropyl-1,1-dimethyl-1,3,4,9,10,10a-hexahydro-2H-phenanthrene-4a-carboxylic acid| |
| (6As,11As)-3,9-Dimethoxy-6A,11A-Dihydro-6H-[1]Benzofuro[3,2-C]Chromene |
natural product |
Platymiscium floribundum|Libanothamnus wurdackii|Senecio glaber|Guatteria sellowiana|Populus davidiana|Plagiogyria euphlebia|Apis mellifera ligustica |
|
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|ileocecal colorectal adenocarcinoma |Melanoma|Murine Melanoma |
3D viewer |
Pubchem |
|
364159 |
7678-43-5 |
COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)OC |
VPGIGLKLCFOWDN-RHSMWYFYSA-N |
284.10000 |
C17H16O4 |
-0.7567 |
0 |
0 |
36.92 |
4.0 |
21 |
4 |
|
Homopterocarpin|7678-43-5|NSC629831|6H-Benzofuro3,2-c1benzopyran, 6a,11a-dihydro-3,9-dimethoxy-, cis-|6H-Benzofuro(3,2-c)(1)benzopyran, 6a,11a-dihydro-3,9-dimethoxy-, (6aR,11aR)-rel-|6H-Benzofuro(3,2-c)(1)benzopyran, 6a,11a-dihydro-3,9-dimethoxy-, cis-|6H-Benzofuro3,2-c1benzopyran, 6a,11a-dihydro-3,9-dimethoxy-, (6aR,11aR)-rel-|(+)-Homopterocarpin|NSC 629831|AC1L7OA4|AC1Q70TZ|CHEMBL2007304|CTK5E3428|DTXSID90227587|ZINC1620529|AKOS016023689|NSC-629831|NCI60_009708|(6aS,11aS)-3,9-dimethoxy-6a,11a-dihydro-6H-1benzofuro3,2-cchromene|(6aS,11aS)-3,9-dimethoxy-6a,11a-dihydro-6H-benzofuro3,2-cchromene| |
| Epibetulinic Acid |
natural product |
Betula platyphylla|Dillenia indica|Prunus dulcis|Ulmus davidiana|Zizyphus cambodiana|Narcissus tazetta|Narcissus cantabricus|Anomala cuprea|Bidens frondosa|Solanum tuberosum|Ascochyta cypericola|Zanthoxylum zanthoxyloides|Halorosellinia oceanica|Helichrysum candolleanum|Daedalea dickinsii|Primnoa resedaeformis|Schefflera heptaphylla|Carya alba|Primula veris|Ilex latifolia|Quararibea funebris|Diphylleia grayi|Conringia orientalis|Hedysarum alpinum|Sparganii rhizoma|Halictus sexcinctus|Lycopi herba|Myristica dactyloides|Mentha javanica|Coussarea paniculata|Maytenus cuzcoina|Maytenus chiapensis|junellia tridens|Microtropis fokienensis|perrottetia arisanensis|Parmelia taylori|Orontium japonicum|Balanocarpus zeylanicus|Clematis rehderiana|Diospyros dendo |
Path=BCL2 pathway|CCND1 pathway|BAX pathway|GLI1 pathway|Gen=Topoisomerase|Org=Mycobacterium tuberculosis |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioma|Medulloblastoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Multiple Myeloma|Plasmacytoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Thyroid Cancer|Follicular carcinoma|Gen=DNA Damage |
3D viewer |
Pubchem |
5LSG |
485711 |
38736-77-5 |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O |
QGJZLNKBHJESQX-ULZDWRHHSA-N |
456.36000 |
C30H48O3 |
2.3495 |
3 |
2 |
57.53 |
10.0 |
33 |
5 |
Sterol and triterpene derivatives from plants inhibit the effects of a tumor promoter, and sitosterol and betulinic acid inhibit tumor formation in mouse skin two-stage carcinogenesis.|Antibacterial activity and phytochemical analysis of Vochysia divergens (Vochysiaceae).|Triterpene derivatives that block entry of human immunodeficiency virus type 1 into cells.|Anti-AIDS agents, 11. Betulinic acid and platanic acid as anti-HIV principles from Syzigium claviflorum, and the anti-HIV activity of structurally related triterpenoids.|Betulinic acid derivatives: a new class of human immunodeficiency virus type 1 specific inhibitors with a new mode of action.|Betulinic acid triggers CD95 (APO-1/Fas)- and p53-independent apoptosis via activation of caspases in neuroectodermal tumors. |
3-epi-betulinic acid|Epibetulinic acid|38736-77-5|3-Epibetulinic acid|AC1LACX9|CHEMBL519059|SCHEMBL1049971|ZINC4716552|AKOS015903048|FT-0688285|(3alpha)-3-hydroxylup-20(29)-en-28-oic acid|3-Hydroxylup-20(29)-en-28-oic acid,(3.alpha.)|I14-18916|(1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-9-hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopentaachrysene-3a-carboxylic acid|(1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopentaachrysene-3a-carboxylic acid| |
| Aranciamycin |
natural product |
Streptomyces sp|Streptomyces sp. CMB-M0150|Streptomyces griseoflavus|Juniperus virginiana|Givotia madagascariensis|Rohdea yunnanensis|Psorothamnus fremontii|Squalus suckleyi |
Org=Bacillus subtilis | Mycobacterium bovis BCG | Bacillus subtilis subsp. spizizenii ATCC 6633 |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Cervical Cancer|Cervical Adenocarcinoma|Org=Bacillus subtilis | Mycobacterium bovis BCG | Bacillus subtilis subsp. spizizenii ATCC 6633 |
3D viewer |
Pubchem |
|
15177995 |
No Cas |
CC1C(C(C(C(O1)OC2C(C(C(=O)C3=C2C(=C4C(=C3)C(=O)C5=C(C4=O)C(=CC=C5)O)O)(C)O)OC)OC)O)O |
PGCZNTNNZCKKFG-LJUYJRHKSA-N |
544.16000 |
C27H28O12 |
-3.469 |
10 |
5 |
189.28 |
13.0 |
39 |
5 |
Inhibition of collagenase by aranciamycin and aranciamycin derivatives. |
|
| Chelidonine |
natural product |
Chelidonium majus|Chelidonii herba |
Path=BAX pathway|CASP3 pathway|CASP9 pathway|Reverse transcriptase - Human immunodeficiency virus 1 | Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia |
3D viewer |
Pubchem |
|
197810 |
476-32-4 |
CN1CC2=C(C=CC3=C2OCO3)C4C1C5=CC6=C(C=C5CC4O)OCO6 |
GHKISGDRQRSCII-ZOCIIQOWSA-N |
353.13000 |
C20H19NO5 |
-1.2831 |
2 |
1 |
60.39 |
2.0 |
26 |
6 |
HIV-1 and HIV-2 reverse transcriptases: a comparative study of sensitivity to inhibition by selected natural products.|Evaluation of natural products as inhibitors of human immunodeficiency virus type 1 (HIV-1) reverse transcriptase.|Studies on the participation of the dopaminergic system in the central effects of chelidonine.|Preliminary pharmacological evaluation of chelidonine in rodents.|Antimicrotubule properties of benzophenanthridine alkaloids.|The effects of chelidonine on tubulin polymerisation, cell cycle progression and selected signal transmission pathways. |
CHELIDONINE|476-32-4|Stylophorin|(+)-Chelidonine|Chelidonin|Helidonine|Khelidonin|UNII-8K7EK8446J|CHEBI:31389|8K7EK8446J|Chelidonin German|Chelidoniny Polish|Chelidoniny|EINECS 207-504-1|NSC646661|(1)-Chelidonine|Chelidonine (+-)-|Prestwick0_000587|Prestwick1_000587|Prestwick2_000587|Prestwick3_000587|BSPBio_000434|SCHEMBL563820|SPBio_002653|AC1L542Q|BPBio1_000478|CHEMBL496867|MEGxp0_001421|4312-31-6 (hydrochloride)|ACon1_000007|63937-19-9 (sulfate)|GHKISGDRQRSCII-ZOCIIQOWSA-N|MolPort-001-742-071|1,3Benzodioxolo5,6-c-1,3-dioxolo4,5-iphenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-13-methyl-, (5bR,6S,12bS)-|Chelidonine, >=97.0% (HPLC)|EINECS 243-662-8|ZINC30727894|AKOS016010202|CCG-208430|MCULE-9582795993|NCGC00167959-01|NCGC00167959-02|NCGC00167959-03|NCGC00167959-05|AJ-84170|ST24046302|C12242|476C324|SR-05000002251|Q-100506|SR-05000002251-2|BRD-K32828673-001-01-5|BRD-K32828673-002-03-9|UNII-4UDG3LY0GT component GHKISGDRQRSCII-ZOCIIQOWSA-N|5b,6,7,12b,13,14-Hexahydro-13-methyl1,3benzodioxolo5,6-c-1,3-dioxolo4,5-iphenan-thridin-6-ol| |
| 6-O-Palmitoyl-Beta-D-Glucosyl-Beta-Sitosterol |
natural product |
Acer mandshuricum |
Org=Gallus gallus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Org=Gallus gallus |
3D viewer |
Pubchem |
|
44593507 |
No Cas |
CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCC(CC)C(C)C)C)C)O)O)O |
JCLYMCVRBRHEHI-FLBTYZGGSA-N |
814.67000 |
C51H90O7 |
-3.7356 |
7 |
3 |
105.45 |
35.0 |
58 |
5 |
|
|
| Neobritannilactone A |
natural product |
Inula britannica |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma |
3D viewer |
Pubchem |
|
11515118 |
No Cas |
CC1C2C=C(C(CC2OC1=O)(C)O)C(C)CCCOC(=O)C |
URCJMQGGAZJGGL-MRJZCNKMSA-N |
310.18000 |
C17H26O5 |
0.1007 |
5 |
1 |
72.83 |
11.0 |
22 |
2 |
|
|
| Oleuropein |
natural product |
Olea europaea|Syringa reticulata|Euodia bodinieri|Euodia officinalis|Euodia ruticarpa|Tetradium ruticarpum|Fraxinus chinensis|Fraxinus chinensis subsp. rhynchophylla|Fraxinus stylosa|Fraxinus szaboana |
Gen=ROS|Arachidonate 5-lipoxygenase - Homo sapiens |Org= Verticillium dahliae |
Dis=Acute Myeloid Leukemia|Erythroleukemia|Bladder Cancer|Transitional Cell Carcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Kidney Cancer|Renal Cell Adenocarcinoma|Melanoma|malignant melanoma|Soft Tissue Sarcoma|Sarcoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
|
5281544 |
EINECS 251-129-6 |
CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC(=C(C=C3)O)O |
RFWGABANNQMHMZ-ZCHJGGQASA-N |
540.18000 |
C25H32O13 |
-2.5956 |
11 |
6 |
201.67 |
19.0 |
38 |
3 |
Inhibition of Salmonella enteritidis by oleuropein in broth and in a model food system.|Oleuropein protects low density lipoprotein from oxidation.|Oleuropein, the bitter principle of olives, enhances nitric oxide production by mouse macrophages.|Effect of virgin olive oil phenolic compounds on in vitro oxidation of human low density lipoproteins.|Protective effect of oleuropein, an olive oil biophenol, on low density lipoprotein oxidizability in rabbits.|Rapid evaluation of phenolic component profile and analysis of oleuropein aglycon in olive oil by atmospheric pressure chemical ionization-mass spectrometry (APCI-MS). |
Oleuropein|32619-42-4|UNII-2O4553545L|EINECS 251-129-6|2O4553545L|2-(3,4-Dihydroxyphenyl)ethyl (2S-(2alpha,3E,4beta))-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetate|Oleoeuropein|C20H24O7|C25H32O13|methyl (2S,3E,4S)-4-{2-2-(3,4-dihydroxyphenyl)ethoxy-2-oxoethyl}-3-ethylidene-2-{(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yloxy}-3,4-dihydro-2H-pyran-5-carboxylate|methyl (4S,5E,6S)-4-2-2-(3,4-dihydroxyphenyl)ethoxy-2-oxoethyl-5-ethylidene-6-(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yloxy-4H-pyran-3-carboxylate|Oleuroperin|PubChem13040|AC1NQYM1|Oleuropein, >=98.0%|Oleuropein, analytical standard|CHEBI:7747|MEGxp0_000369|SCHEMBL4306969|CHEMBL1911053|Oleuropein, >=80% (HPLC)|ACon1_000443|MolPort-001-740-544|RFWGABANNQMHMZ-ZCHJGGQASA-N|ZINC4098348|AKOS015900702|MCULE-2462824991|NCGC00169074-01|NCGC00169074-02|AB0020614|LS-174384|S7867|V1560|Oleuropein, primary pharmaceutical reference standard|BRD-K08037284-001-01-4|I14-15751|Oleuropein, European Pharmacopoeia (EP) Reference Standard|Oleuropein, United States Pharmacopeia (USP) Reference Standard|(4S)-5,6-Dihydro-5-ethylidene-3-(methoxycarbonyl)-6alpha-(beta-D-glucopyranosyloxy)-4H-pyran-4beta-acetic acid 2-(3,4-dihydroxyphenyl)ethyl ester|2S-(2alpha,3E,4beta)-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetic acid 2-(3,4-dihydroxyphenyl)ethyl ester|1392-73-0|163436-64-4|2H-Pyran-4-acetic acid, 3-ethylidene-2-(.beta.-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-, 2-(3,4-dihydroxyphenyl)ethyl ester, (2S,3E,4S)-|30675-34-4|37341-33-6|4809-64-7|methyl (2S,3E,4S)-4-{2-2-(3,4-dihydroxyphenyl)ethoxy-2-oxoethyl}-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate|methyl (2S,4S,E)-4-(2-(3,4-dihydroxyphenethoxy)-2-oxoethyl)-3-ethylidene-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydro-2H-pyran-5-carboxyl|methyl (4S,5E,6S)-4-2-2-(3,4-dihydroxyphenyl)ethoxy-2-oxo-ethyl-5-ethylidene-6-(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yloxy-4H-pyran-3-carboxylate| |
| Angulifolide |
natural product |
Roldana angulifolia |
|
Dis=Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Prostate Cancer|Prostate Adenocarcinoma |
3D viewer |
Pubchem |
|
16099572 |
No Cas |
CC(=O)OCC1=COC2=C(C3=C4C(CC=C3)COC(=O)C4=C12)OC |
OMRGHKTYZHUNKS-SNVBAGLBSA-N |
328.09000 |
C18H16O6 |
-0.1309 |
4 |
0 |
74.97 |
6.0 |
24 |
4 |
|
|
| Prinoidin |
natural product |
Rhamnus nepalensis |
Org=Mus musculus |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Org=Mus musculus |
3D viewer |
Pubchem |
|
25107461 |
118985-30-1 |
CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)CC4=CC(=CC(=C4C3=O)O)C)O)OC(=O)C)OC(=O)C)O |
DARHCWIFQPMQTB-NRVKTMTASA-N |
486.15000 |
C25H26O10 |
-1.0352 |
7 |
3 |
148.82 |
13.0 |
35 |
4 |
|
|
| Methyl (1S,4As,5As,6R,10Ar)-1-Methyl-2'-Oxospiro[1,4A,5,5A,7,8,10,10A-Octahydropyrano[3,4-F]Indolizine-6,3'-1H-Indole]-4-Carboxylate |
natural product |
Uncaria tomentosa|Dictyostelium purpureum|Sickingia williamsii|Stereocaulon colensoi|Cuspidaria pterocarpa|Zeora sordida|Clivia nobilis|Leproloma diffusum|Haplopappus paucidentatus|Anisopappus pinnatifidus|Andropogon polyneuros|Capsicum annuum|Scurrula fusca|Fusarium caucasicum|Ficus nervosa|Rumex chalepensis|Caralluma stalagmifera|Agaricus arvensis|Peyrousea umbellata|Aria pinnatifida|Prosopis spicigera|Uncaria gambir|Lecanora broccha|Klasea quinquefolia|Drymaria cordata|Cestrum parqui|Ageratina tomentella|Monostroma nitidum|Maxillaria densa|Lomatia ilicifolia|Rubus xanthocarpus|Talaromyces funiculosus|Amburana cearensis|Lomatia arborescens|Euthamia graminifolia|Senecio alloeophyllus|Platycarpha glomerata |
Path=BCL2 pathway |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia |
3D viewer |
Pubchem |
|
94160 |
509-80-8 |
CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O |
JMIAZDVHNCCPDM-DAFCLMLCSA-N |
368.17000 |
C21H24N2O4 |
-0.6854 |
6 |
1 |
71.36 |
5.0 |
27 |
5 |
Microsphere-based protease assays and screening application for lethal factor and factor Xa.|Antiproliferative effects of mitraphylline, a pentacyclic oxindole alkaloid of Uncaria tomentosa on human glioma and neuroblastoma cell lines.|High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.|Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.|HPLC analysis of oxindole alkaloids in Uncaria tomentosa: sample preparation and analysis optimisation by factorial design.|Pharmacological effects of mitraphylline from Uncaria tomentosa in primary human monocytes: Skew toward M2 macrophages. |
Mitraphylline|509-80-8|Mitraphilline|UNII-1H9SRL2456|CHEBI:6957|1H9SRL2456|Methyl 19alpha-methyl-2-oxoformosanan-16-carboxylate|AC1L3RMW|MLS000728610|EINECS 208-106-0|CHEMBL2135897|DTXSID50198926|HMS2267P09|ZINC1607834|CCG-36401|NSC717700|NSC-717700|SMR000470795|C09227|(1'S,3R,4a'S,5a'S,10a'R)-methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiroindoline-3,6'-pyrano3,4-findolizine-4'-carboxylate|methyl (1S,4aS,5aS,6R,10aR)-1-methyl-2'-oxospiro1,4a,5,5a,7,8,10,10a-octahydropyrano3,4-findolizine-6,3'-1H-indole-4-carboxylate| |
| Excisanin J |
natural product |
Rabdosia excisa |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
10405621 |
No Cas |
CC1(CCCC2(C1CC(C34C2CCC(C3O)C(=C)C4=O)O)CO)CO |
WXQUCBGDXVGUBN-IIRAHQKESA-N |
350.21000 |
C20H30O5 |
-2.1024 |
5 |
4 |
97.99 |
7.0 |
25 |
4 |
|
|
| Cannabidiol |
natural product |
Cannabis sativa |
Path=FAAH pathway|TRPV1 pathway|CASP3 pathway|Voltage-gated L-type calcium channel alpha-1C subunit - Rattus norvegicus | Cannabinoid CB1 receptor - Rattus norvegicus | Cannabinoid CB2 receptor - Mus musculus | Cannabinoid CB1 receptor - Homo sapiens | Cannabinoid CB2 receptor - Homo sapiens | G-protein coupled receptor 55 - Homo sapiens | Anandamide amidohydrolase - Mus musculus | Transient receptor potential cation channel subfamily A member 1 - Rattus norvegicus |Org= Staphylococcus aureus |
Dis=Acute Myeloid Leukemia|Basophilic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Breast Carcinoma|Central Nervous System Cancers|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Kidney Cancer|human embryonic kidney contains adenovirus|Prostate Cancer|prostate Carcinoma|Org=Staphylococcus aureus |
3D viewer |
Pubchem |
|
644019 |
13956-29-1 |
CCCCCC1=CC(=C(C(=C1)O)C2C=C(CCC2C(=C)C)C)O |
QHMBSVQNZZTUGM-ZWKOTPCHSA-N |
314.22000 |
C21H30O2 |
0.55 |
0 |
2 |
40.46 |
11.0 |
23 |
2 |
Effects of delta9-tetrahydrocannabinol and cannabidiol on a Mg2+-ATPase of synaptic vesicles prepared from rat cerebral cortex.|In vivo effects of cannabinoids on macromolecular biosynthesis in Lewis lung carcinomas.|Antineoplastic activity of cannabinoids.|The inhibition of DNA synthesis by cannabinoids.|Assay of plasma cannabidiol by capillary gas chromatography/ion trap mass spectroscopy following high-dose repeated daily oral administration in humans.|An investigation of the involvement of GABA in certain pharmacological effects of delta-9-tetrahydrocannabinol. |
cannabidiol|13956-29-1|(-)-Cannabidiol|(-)-trans-Cannabidiol|CBD|Epidiolex|UNII-19GBJ60SN5|(-)-trans-2-p-Mentha-1,8-dien-3-yl-5-pentylresorcinol|delta1(2)-trans-Cannabidiol|(-)-CBD|GWP42003-P|19GBJ60SN5|CHEMBL190461|CHEBI:69478|QHMBSVQNZZTUGM-ZWKOTPCHSA-N|1,3-Benzenediol, 2-(3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-5-pentyl-, (1R-trans)-|2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol|2-(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl-5-pentylbenzene-1,3-diol|(1'R,2'R)-5'-methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydrobiphenyl-2,6-diol|Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-, (-)-(E)-|Cannabidiol USAN|cannabidiolum|1,3-Benzenediol, 2-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl-5-pentyl-, (1R-trans)-|Epidiolex (TN)|Cannabidiol solution|Cannabidiol (7CI)|Cannabidiol (USAN/INN)|D1(2)-trans-Cannabidiol|AC1LD8G2|SCHEMBL119679|GTPL4150|ZYN002|2-(6-Isopropenyl-3-methyl-2-cyclohexen-1-yl)-5-pentyl-1,3-benzenediol #|2-(6-Isopropenyl-3-methyl-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol|Delta(1(2))-trans-cannabidiol|ZINC4097406|BDBM50121429|BDBM50318484|AKOS032948358|DB09061|(-)-Cannabidiol 1.0 mg/ml in Methanol|4CN-1161|C07578|D10915|(3R,4R)-2-p-mentha-1,8-dien-3-yl-5-pentylresorcinol|Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-, (+-)-|UNII-K4H93P747O component QHMBSVQNZZTUGM-ZWKOTPCHSA-N|Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-, trans-(-)- (8CI)|1,3-benzenediol, 2-(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl-5-pentyl-|1,3-Benzenediol,2-(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl-5-pentyl-|2-(3-methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol|2-(6-Isopropenyl-3-methyl-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol (Cannabidiol)|2-(1R,6R)-3-methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl-5-pentylbenzene-1,3-diol|2-3-Methyl-6-(methylethenyl)-2-cyclohexen-1-yl-5-pentyl-1,3-benzenediol|Cannabidiol solution, ~10 mg/mL in ethanol, analytical standard, for drug analysis|Cannabidiol solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material|Cannabidiol solution, 1.0 mg/mL in methanol, analytical standard, for drug analysis|18436-46-9|20547-66-4|3556-78-3|521-37-9| |
| Didemnin A |
natural product |
Didemnum cucliferum|Trididemnum solidum |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
123844 |
No Cas |
CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)NC)C)CC3=CC=C(C=C3)OC)C)CC(C)C)C)C(C)C)O |
XQZOGOCTPKFYKC-VSZULPIASA-N |
942.57000 |
C49H78N6O12 |
-1.8887 |
17 |
5 |
249.55 |
30.0 |
67 |
3 |
A phase II trial of didemnin B (NSC No. 325319) in advanced and recurrent cervical carcinoma: a Gynecologic Oncology Group study.|A specific binding site in Nb2 node lymphoma cells mediates the effects of didemnin B, an immunosuppressive cyclic peptide.|Phase II evaluation of didemnin B in advanced adenocarcinoma of the kidney. A Southwest Oncology Group study.|A phase I clinical trial of didemnin B.|Didemnin B: a new immunosuppressive cyclic peptide with potent activity in vitro and in vivo.|The immunosuppressant FK-506, like cyclosporins and didemnin B, inhibits calmodulin-dependent phosphorylation of the elongation factor 2 in vitro and biological effects of the phorbol ester TPA on mouse skin in vivo. |
Didemnin A|didemnins|Oncoprecipitin A|UNII-4LSZ9C5HOB|4LSZ9C5HOB|NSC 351910|(3S-(1(2R*,4R*),3R*,4S*,5R*))-N-(1-(N-(4-((3-Hydroxy-5-methyl-4-((N-(N-methyl-D-leucyl)-L-threonyl)amino)-1-oxoheptyl)oxy)-2,5-dimethyl-1,3-dioxohexyl)-L-leucyl)-L-prolyl)-N,O-dimethyl-L-tyrosine phi-lactone|L-Tyrosine, N-(1-(N-(4-((3-hydroxy-5-methyl-4-((N-(N-methyl-D-leucyl)-L-threonyl)amino)-1-oxoheptyl)oxy)-2,5-dimethyl-1,3-dioxohexyl)-L-leucyl)-L-prolyl)-N,O-dimethyl-, phi-lactone, (3S-((2R*,4R*),3R*,4S*,5R*))-|77327-04-9|didemnin-a|AC1L3XEG|CHEMBL499943|SCHEMBL13413231|XQZOGOCTPKFYKC-VSZULPIASA-N|LS-186759|LS-187439|15H-Pyrrolo(2,1-f)(1,15,4,7,10,20)dioxatetraazacyclotricosine, cyclic peptide deriv|15H-Pyrrolo(2,1-f)(1,15,4,7,10,20)dioxatetraazacyclotricosine, cyclic peptide deriv.|(2R)-N-(3S,6S,8S,12S,13R,16S,17R,20S,23S)-12-hydroxy-3-isobutyl-8-isopropyl-20-(4-methoxyphenyl)methyl-6,17,21-trimethyl-13-(1S)-1-methylpropyl-2,5,7,10,15,19,22-heptaoxo-9,18-dioxa-1,4,14,21-tetrazabicyclo21.3.0hexacosan-16-yl-4-methyl-2-(methylamino)pentanamide|(2R)-N-(3S,6S,8S,12S,13R,16S,17R,20S,23S)-13-(2S)-butan-2-yl-12-hydroxy-20-(4-methoxyphenyl)methyl-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo21.3.0hexacosan-16-yl-4-methyl-2-(methylamino)pentanamide| |
| n.a. |
natural product |
Stephania cepharantha|Stephania rotunda|Stephania sasakii|Stephania delavayi|Stephania cephalantha |
Path=BIRC2 pathway|BIRC3 pathway|IL6 pathway|IL8 pathway|NFKB1 pathway|NFKB2 pathway|TNF pathway|VEGFA pathway|POU2F1 pathway|CCND1 pathway|CDK6 pathway|CDKN2A pathway|CDKN2B pathway|CDKN1A pathway|BAX pathway|CASP3 pathway|Gen=TNF-alpha|Nuclear receptor ROR-gamma - Mus musculus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Beta-glucocerebrosidase - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Ataxin-2 - Homo sapiens | Proto-oncogene c-JUN - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Niemann-Pick C1 protein - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Cholinesterase - Equus caballus | Trypanothione reductase - Trypanosoma cruzi | Geminin - Homo sapiens | Glucagon-like peptide 1 receptor - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Microtubule-associated protein tau - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Nuclear factor NF-kappa-B p105 subunit - Homo sapiens |Org= Plasmodium falciparum | Saccharomyces cerevisiae|Ubiquitin carboxyl-terminal hydrolase 2 - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens |Org= Plasmodium falciparum |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|Oral Squamous Cell Carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Multiple Myeloma|Multiple Myeloma |Plasmacytoma|Non-Hodgkin's Lymphomas|Lymphoblastic Leukemia|Histiocytic Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=Apoptosis |
3D viewer |
Pubchem |
|
360849 |
No Cas |
CN1CCC2=CC3=C(C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3 |
YVPXVXANRNDGTA-UHFFFAOYSA-N |
606.27000 |
C37H38N2O6 |
0.0749 |
2 |
0 |
61.86 |
6.0 |
45 |
7 |
|
NSC-623442|NCGC00095194-01|AC1L7HHO|AC1Q70ZF|CHEMBL1473842|HMS3370G06|MCULE-9714795096|NCGC00095194-02|NCGC00095194-03|NCGC00095194-04|22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo25.6.2.216,19.13,10.121,25.04,8.014,39.031,35nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dodecaene(non-preferred name)|Oxyacanthan,12'-dimethoxy-2,2'-dimethyl-6,7- methylenebis(oxy)-|1H-4,6:16,19-Dietheno-21,25-metheno-12H-1,3dioxolo4,5-gpyrido2',3':17,181,10dioxacycloeicosino2,3,4-ijisoquinoline,2,3,13,14,14a,15,26,26a-octahydro-22,30-dimethoxy-1,14-dimethyl-,(14aS,26aR)-|6-Methoxy-3,4'-(methylene(2-methyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline-1,7-diyl)oxy(2-methyl-6,7-(epoxymethanoxy)-1,2,3,4-tetrahydroisoquinoline-8,1-diyl)methylene)(1,1'-oxybisbenzene)| |
| Pygenic Acid A |
natural product |
Prunus dulcis|Actinidia valvata|Crataegus pinnatifida|Penicillium cinerascens|Trifolium hybrid|Schizonepeta multifida|Rhinella arenarum|Helichrysum nitens|Boswellia carterii|Senecio nemorensis|Fragaria vesca|Cystoseira granulata|Ipomoea cairica|Cardamine pinnata|Rhodobacter sphaeroides|Bridelia ferruginea|Pyrola decorata|Polygala amara|Rubus rosa|Perovskia abrotanoides|Achillea lycaonica|Philoxerus portulacoides|Ligularia songarica|Swertia japonica|Vitex negundo var. cannabifolia|Anarsia lineatella|Asterias nipon|Aquilegia ecalcarata|Albizia gummifera|Streptomyces lavendofoliae|Persea mexicana|Stemona mairei|Colias edusa|Retiboletus ornatipes|Scedosporium boydii|Kopsia grandifolia|Benzoin praecox|Bystropogon origanifolius|Panax innovans|Artemisia hanseniana|Centella asiatica|Gardenia tubifera|Citrus maxima|Lasianthus fordii|Quercus serrata|Pleogyne cunninghamii|Garcinia scortechinii|Berberis julianae|Mortierella elongata|Lactobacillus casei|Achillea clypeolata|Pleogyne cunninghami|Laurencia composita|Aconitum lucidusculum|Cyphus niveus|Mycobacterium tuberculosis|Septoria pistaciarum|Unonopsis glaucopetala|Ledebouria socialis|Agaricus hortensis|Apollonias barbujana|Euonymus nanoides|Deltocyathus magnificus|Cneorum pulverulentum|Euphorbia adenochlora|Jacobaea subalpina|Perilla frutescens|Crateva nurvala|Spongia officinalis|Aconitum leucostomum|Pleuronectes cynoglossus|Streptomyces fumanus|Cerbera dilatata|Dermocybe splendida|Diospyros verrucosa|Blumea mollis|Turbo argyrostoma|Radix salviae|Tetraneuris acaulis|Lycopus europaeus|Campsis flos|Menisporopsis theobromae|Dipterocarpus dyeri|Pteraster multipes|Salmacis sphaeroides|Hedysarum denticulatum|Ceanothus velutinus|Codonocarpus australis|Chlorophytum borivilianum|Sordaria araneosa|Alangium ridleyi|Asterias japonica|Zieria smithii|Streptomyces odorifer|Isodon lophanthoides|Stephania sutchuenensis|Athanasia crithmifolia |
Path=BAX pathway|CASP3 pathway|CASP8 pathway|CASP9 pathway|DYT10 pathway|Glycogen phosphorylase, muscle form - Oryctolagus cuniculus |
Dis=Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia |
3D viewer |
Pubchem |
|
15917998 |
52213-27-1 |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1C)C)C(=O)O |
HFGSQOYIOKBQOW-RFMFWNHYSA-N |
472.36000 |
C30H48O4 |
1.2611 |
4 |
3 |
77.76 |
11.0 |
34 |
5 |
Pentacyclic triterpenes. Part 5: synthesis and SAR study of corosolic acid derivatives as inhibitors of glycogen phosphorylases.|Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies.|Synthesis of oxygenated oleanolic and ursolic acid derivatives with anti-inflammatory properties. |
3-Epicorosolic acid|52213-27-1|PYGENIC ACID A|Pygenic acid A b|CHEMBL237535|SCHEMBL4962201|MolPort-028-599-905|ZINC14980289|W2600|2alpha,3alpha-dihydroxyurs-12-en-28-oic acid|213P271| |
| Gallocatechin Gallate |
natural product |
Diospyros kaki|Myrica rubra|Camellia sinensis|Prunus persica|Punica granatum|Ardisiae japonicae herba|Morus alba|Paeonia lactiflora|Solanum nigrum |
Path=ODC1 pathway|ABCG2 pathway|BCL2 pathway|BAX pathway|CASP3 pathway|PARP1 pathway|AR pathway|PSA pathway|N/A|CDK4 pathway|PCNA pathway|Gen=DNA Methyltransferase,HER2,Telomerase,EGFR,Fatty Acid Synthase|15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Arachidonate 15-lipoxygenase - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Histone acetyltransferase GCN5 - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Vitamin D receptor - Homo sapiens | DNA polymerase kappa - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | HERG - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Galactokinase - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis|Beta-secretase 1 - Homo sapiens|Beta-secretase 1 - Homo sapiens | Fucosyltransferase 4 - Homo sapiens | CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase - Homo sapiens | Alpha-(1,3)-fucosyltransferase 7 - Homo sapiens|Hepatocyte growth factor receptor - Homo sapiens | 3-oxoacyl-acyl-carrier protein reductase - Plasmodium falciparum | 6-phosphogluconate dehydrogenase - Homo sapiens | Glucose-6-phosphate 1-dehydrogenase - Saccharomyces cerevisiae S288c | Apoptosis regulator Bcl-2 - Homo sapiens | Heat shock protein HSP 90-beta - Homo sapiens | Enoyl-acyl-carrier protein reductase - Plasmodium falciparum | Fatty acid synthase - Plasmodium falciparum |Org= Rattus norvegicus | Human herpesvirus 1 | Plasmodium falciparum | Human immunodeficiency virus 1 |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Basophilic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|Uterine Neoplasms|leiomyoma|Gen=DNA Damage |
3D viewer |
Pubchem |
4E1A 4KQR 4KQK 4KQO |
199472 |
4233-96-9 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
WMBWREPUVVBILR-NQIIRXRSSA-N |
458.08000 |
C22H18O11 |
-3.966 |
2 |
8 |
197.37 |
12.0 |
33 |
4 |
Effect of anthraquinone derivatives on lipid peroxidation in rat heart mitochondria: structure-activity relationship.|Prolyl endopeptidase inhibitors from green tea.|Protective activity of green tea against free radical- and glucose-mediated protein damage.|Study of non-covalent complexation between catechin derivatives and peptides by electrospray ionization mass spectrometry.|Neutrophil restraint by green tea: inhibition of inflammation, associated angiogenesis, and pulmonary fibrosis.|Tea catechin synergies in inhibition of cancer cell proliferation and of a cancer specific cell surface oxidase (ECTO-NOX). |
(-)-Gallocatechin gallate|4233-96-9|Gallocatechin gallate|(-)-Gallocatechol gallate|UNII-IRW3C4Y31Q|(2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl 3,4,5-trihydroxybenzoate|Gallocatechin gallate (Gcg)|IRW3C4Y31Q|CHEMBL264938|(-)-gallocatechin-3-O-gallate|(2S,3R)-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-(3,4,5-trihydroxybenzoate)|(2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate|Benzoic acid, 3,4,5-trihydroxy-, 3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester, (2S-trans)-|Gallocatechin gallate, (-)-|CCRIS 9286|Gallocatechol, 3-gallate, (-)-|AC1L57GG|SCHEMBL49461|CHEBI:95002|DTXSID20195144|MolPort-003-941-527|GCG|HY-N0522|ZINC3870413|BDBM50236531|MFCD00214298|AKOS015901852|AC-6044|CS-7698|CC-00450|LS-38400|Q431|Gallocatechol, 3-gallate, (-)- (8CI)|FT-0686614|N1665|N1899|KS-00001839|(-)-Gallocatechin gallate, analytical standard|233G969|C-35363|Q-100471|BRD-K19216856-001-01-9|I14-14169|(-)-Gallocatechin gallate, from green tea, >=98% (HPLC)|(2R,3S)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate|(2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate|Benzoic acid,3,4,5-trihydroxy-,(2S,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-ylester| |
| 5-(3,4,5-Trimethoxyphenyl)-5A,8,8A,9-Tetrahydro-5H-[2]Benzofuro[5,6-F][1,3]Benzodioxol-6-One |
natural product |
Hernandia nymphaeifolia|Hernandia peltata|Pulsatilla koreana|Dysosma versipellis|Juniperus sabina|Podophyllum emodll|Sinopodophyllum hexandrum|Thuja occidentalis |
Ataxin-2 - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | Geminin - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Glucagon-like peptide 1 receptor - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Melanoma|malignant melanoma|Murine Melanoma|Non-small Cell Lung Cancer|large cell carcinoma|Lewis Lung carcinoma |Lung Epithelial Carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma |
3D viewer |
Pubchem |
|
2203 |
No Cas |
COC1=CC(=CC(=C1OC)OC)C2C3C(CC4=CC5=C(C=C24)OCO5)COC3=O |
ZGLXUQQMLLIKAN-UHFFFAOYSA-N |
398.14000 |
C22H22O7 |
-0.6687 |
2 |
0 |
72.45 |
7.0 |
29 |
5 |
Deoxypodophyllotoxin; the cytotoxic and antiangiogenic component from Pulsatilla koreana.|Deoxypodophyllotoxin, a naturally occurring lignan, inhibits the passive cutaneous anaphylaxis reaction.|Microsphere-based protease assays and screening application for lethal factor and factor Xa.|The naturally occurring flavolignan, deoxypodophyllotoxin, inhibits lipopolysaccharide-induced iNOS expression through the NF-kappaB activation in RAW264.7 macrophage cells.|Deoxypodophyllotoxin, flavolignan, from Anthriscus sylvestris Hoffm. inhibits migration and MMP-9 via MAPK pathways in TNF-alpha-induced HASMC.|High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
Isoanthricin|Hernandion|Silicicolin|Anthricin|Hernandin|(-)-Anthricin|Desoxypodophyllotoxin|4-Deoxypodophyllotoxin|SMR001215957|(-)-Deoxypodophyllotoxin|(-)-Desoxypodophyllotoxin|MLS002702900|5,8,8a,9-Tetrahydro-5-(3,4,5-trimethoxyphenyl)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one|69222-20-4|AC1L1D5L|MLS000563109|MEGxp0_000984|CHEMBL1736070|SCHEMBL10028445|ACon1_001023|CTK6J6433|MolPort-001-741-144|ZGLXUQQMLLIKAN-UHFFFAOYSA-N|HMS2267B03|Furo3',4':6,7naphtho2,3-d-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, (5R,5aR,8aR)-|4CN-2439|BRD-A59291892-001-01-1|BRD-A59291892-001-07-8|Anthricin, (-)-Deoxypodophyllotoxin,4-Deoxypodophyllotoxin|5-(3,4,5-Trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro3',4':6,7naphtho2,3-d1,3dioxol-6(5ah)-one-, (5R,5aR,8aR)-|5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-2benzofuro5,6-f1,3benzodioxol-6-one|Furo3',4':6,7naphtho2,3-d-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, 5R-(5.alpha.,5a.beta.,8a.alpha.)-| |
| Fumitremorgin |
natural product |
Aspergillus fumigatus |
P-glycoprotein 1 - Homo sapiens | ATP-binding cassette sub-family G member 2 - Homo sapiens |Org= Saccharomyces cerevisiae | Colletotrichum gloeosporioides | Alternaria solani | Artemia salina | Fusarium solani |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Org=Saccharomyces cerevisiae | Colletotrichum gloeosporioides | Alternaria solani | Artemia salina | Fusarium solani |
3D viewer |
Pubchem |
|
403923 |
118974-02-0 |
CC(=CC1C2=C(CC3N1C(=O)C4CCCN4C3=O)C5=C(N2)C=C(C=C5)OC)C |
DBEYVIGIPJSTOR-FHWLQOOXSA-N |
379.19000 |
C22H25N3O3 |
-1.0522 |
5 |
1 |
65.64 |
5.0 |
28 |
5 |
Reversal of a novel multidrug resistance mechanism in human colon carcinoma cells by fumitremorgin C.|Fumitremorgin C reverses multidrug resistance in cells transfected with the breast cancer resistance protein.|Inhibition of BCRP-mediated drug efflux by fumitremorgin-type indolyl diketopiperazines.|Overexpression of the ATP-binding cassette half-transporter, ABCG2 (Mxr/BCrp/ABCP1), in flavopiridol-resistant human breast cancer cells.|Functional characterization of the human multidrug transporter, ABCG2, expressed in insect cells.|Potent and specific inhibition of the breast cancer resistance protein multidrug transporter in vitro and in mouse intestine by a novel analogue of fumitremorgin C. |
Fumitremorgin C|118974-02-0|NSC719655|CHEBI:72763|(5as,12s,14as)-9-methoxy-12-(2-methylprop-1-en-1-yl)-1,2,3,5a,6,11,12,14a-octahydro-5h,14h-pyrrolo1'',2'':4',5'pyrazino1',2':1,6pyrido3,4-bindole-5,14-dione|Fumitremorgin C, Aspergillus. fumigatus|(5aS,12S,14aS)-1,2,3,5a,6,11,12,14a-Octahydro-9-methoxy-12-(2-methyl-1-propen-1-yl)-5H,14H-pyrrolo1'',2'':4',5'pyrazino1',2':1,6pyrido3,4-bindole-5,14-dione|fumitremorgin-c|AC1L8MBK|SM-Q|MLS004257389|CHEMBL410316|SCHEMBL13113871|BDBM32628|CTK4B0984|GTPL10008|DTXSID10328045|DBEYVIGIPJSTOR-FHWLQOOXSA-N|MolPort-006-822-488|5H,14H-Pyrrolo1'',2'':4',5'pyrazino1',2':1,6pyrido3,4-bindole-5,14-dione,1,2,3,5a,6,11,12,14a-octahydro-9-methoxy-12-(2-methyl-1-propen-1-yl)-,(5aS,12S,14aS)-|BCP28921|HY-N2143|ZINC5854773|MFCD08702652|AKOS024457321|CS-6844|NSC-719655|NCI60_041052|SMR003082520|RT-013062|B7211|C20604|J-003995|Fumitremorgin C, from Neosartorya fischeri, >98% (HPLC and TLC), film|(1S,12S,15S)-7-methoxy-12-(2-methylprop-1-en-1-yl)-10,13,19-triazapentacyclo11.7.0.0;{3,11}.0;{4,9}.0;{15,19}icosa-3(11),4,6,8-tetraene-14,20-dione| |
| Excisanin H |
natural product |
Rabdosia excisa |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
10066342 |
No Cas |
CC1(CCC(C23C1CC(C45C2CCC(C4(OC3)O)C(=C)C5=O)O)O)C |
UYPLBJHUGYAYIW-FMMWVRBBSA-N |
348.19000 |
C20H28O5 |
-1.2082 |
5 |
3 |
86.99 |
5.0 |
25 |
5 |
|
|
| Ganoderiol F |
natural product |
Ganoderma amboinense|Ganoderma lucidum|ganoderma leucocontextum|Ganoderma|Ganoderma sinense |
Path=CDKN1A pathway|CDKN2A pathway|3-hydroxy-3-methylglutaryl-coenzyme A reductase - Sus scrofa | DNA topoisomerase I - Homo sapiens | TNF-alpha - Homo sapiens | DNA topoisomerase II alpha - Homo sapiens | Butyrylcholinesterase - Homo sapiens | Acetylcholinesterase - Homo sapiens |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-small Cell Lung Cancer|Embryonic Lung Cell |
3D viewer |
Pubchem |
|
471008 |
114567-47-4 |
CC(CCC=C(CO)CO)C1CCC2(C1(CC=C3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C |
JVGJXXNUVVQEIG-MCKXIFHVSA-N |
454.34000 |
C30H46O3 |
2.6644 |
3 |
2 |
57.53 |
14.0 |
33 |
4 |
Anti-HIV-1 and anti-HIV-1-protease substances from Ganoderma lucidum.|Anti-androgen effects of extracts and compounds from Ganoderma lucidum.|Pharmacophore-based discovery of FXR-agonists. Part II: identification of bioactive triterpenes from Ganoderma lucidum.|Inhibitory effect on NO production of triterpenes from the fruiting bodies of Ganoderma lucidum.|Structure-activity relationships of lanostane-type triterpenoids from Ganoderma lingzhi as -glucosidase inhibitors.|Anti-inflammatory and heme oxygenase-1 inducing activities of lanostane triterpenes isolated from mushroom Ganoderma lucidum in RAW264.7 cells. |
Ganoderiol F|114567-47-4|26,27-Dihydroxylanosta-7,9(11),24-trien-3-one|CHEMBL1915761|AC1LAM79|AC1Q77PA|SCHEMBL902833|MolPort-035-706-367|BDBM50356920|ZINC32023197|AKOS032948622|4CN-1898|W2475|(5R,10S,13R,14R,17R)-17-(1R)-6-hydroxy-5-(hydroxymethyl)-1-methyl-hex-4-enyl-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopentaaphenanthren-3-one|(5R,10S,13R,14R,17R)-17-(2R)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopentaaphenanthren-3-one| |
| Euscaphic Acid D |
natural product |
Euscaphis japonica| |
|
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Non-small Cell Lung Cancer|large cell carcinoma |
3D viewer |
Pubchem |
|
49831543 |
No Cas |
CC1CCC2(CCC34CC3(C2C1(C)O)C=CC5C4(CCC6C5(CC(C(C6(C)C)O)O)C)C)C(=O)O |
FJBWUBWZSSBDEN-CTCWFQGOSA-N |
486.33000 |
C30H46O5 |
0.529 |
5 |
4 |
97.99 |
11.0 |
35 |
6 |
|
|
| Poricoic Acid G |
natural product |
Poria cocos|Wolfiporia cocos |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia |
3D viewer |
Pubchem |
|
5471966 |
415724-84-4 |
CC(=CCCC(C1C(CC2(C1(CCC3=C2CCC(C3(C)CCC(=O)O)C(=C)C)C)C)O)C(=O)O)C |
VPTZOSBKEDUOFE-KXGBKNTBSA-N |
486.33000 |
C30H46O5 |
3.4167 |
5 |
3 |
94.83 |
18.0 |
35 |
3 |
|Anti-tumor-promoting effects of 25-methoxyporicoic acid A and other triterpene acids from Poria cocos.|Cytotoxic and apoptosis-inducing activities of triterpene acids from Poria cocos.|Lanostanoids from fungi: a group of potential anticancer compounds. |
Poricoic acid G|CHEBI:68355|415724-84-4|PoricoicacidG|AC1NV7VU|CHEMBL138450|SCHEMBL6281406|NSC715639|NSC-715639|NCI60_039950|16.alpha.-Hydroxy-3,8,24-triene-3,21-dioic acid|16alpha-hydroxy-3,4-seco-lanosta-4(28),8,24-triene-3,21-dioic acid|(2R)-2-(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-2,3,3a,4,5,6,7,8,9,9b-decahydro-1H-cyclopentaanaphthalen-3-yl-6-methylhept-5-enoic acid|(2R)-2-(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,7,8,9-octahydrocyclopentaanaphthalen-3-yl-6-methylhept-5-enoic acid|InChI=1/C30H46O5/c1-18(2)9-8-10-20(27(34)35)26-24(31)17-30(7)23-12-11-21(19(3)4)28(5,15-14-25(32)33)22(23)13-16-29(26,30)6/h9,20-21,24,26,31H,3,8,10-17H2,1-2,4-7H3,(H,32,33)(H,34,35)/t20-,21+,24-,26+,28+,29-,30+/m1/s1| |
| Epirubicin |
natural product |
Dracocephalum kotschyi|Streptomyces venezuelae|Streptomyces peucetius atcc 29050 |
Serotonin 4 (5-HT4) receptor - Cavia porcellus | Tyrosine-protein kinase FYN - Homo sapiens | Hepatitis C virus NS3 protease/helicase - Hepatitis C virus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Non-Melanoma Skin Cancers|human fetal foreskin fibroblast|Ovarian Cancer|Epithelial Ovarian Cancer |Soft Tissue Sarcoma|Mouse sarcoma |
3D viewer |
Pubchem |
5MRA 1D12 1I1E 6FTP |
41867 |
56420-45-2 |
CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O |
AOJJSUZBOXZQNB-VTZDEGQISA-N |
543.17000 |
C27H29NO11 |
-4.4188 |
9 |
6 |
206.07 |
13.0 |
39 |
5 |
Phase II study of weekly 4'-epidoxorubicin in patients with metastatic squamous cell cancer of the cervix: an EORTC Gynaecological Cancer Cooperative Group Study.|A pilot study of ChlOPhEPP-B--a weekly regimen for patients with untreated advanced or recurrent Hodgkin's disease.|Remission induction with carboplatin-epirubicin-prednimustine followed by consolidation radiotherapy in advanced ovarian cancer.|Treatment of inoperable hepatocellular carcinoma by intra-arterial lipiodol and 4'-epidoxorubicin.|Chemotherapy as initial treatment for cervical carcinoma: clinical and tumor marker response.|High-dose epirubicin in chemotherapy refractory non-seminomatous germ cell cancer: a phase II study. EORTC Genito-Urinary Tract Cancer Co-operative Group. EORTC Early Clinical Trials Group. |
Epirubicin|56420-45-2|Epiadriamycin|Epidoxorubicin|4'-Epiadriamycin|Ellence|4'-epidoxorubicin|Epirubicina|Epirubicine|Epirubicinum|Pidorubicina|Pidorubicine|Pidorubicinum|Ridorubicin|Epi-DX|Epirubicine French|Epirubicinum Latin|4-Epidoxorubicin|Epirubicina Spanish|IMI 28|Epirubicine INN-French|Epirubicinum INN-Latin|Epirubicina INN-Spanish|Pidorubicine INN-French|Pidorubicinum INN-Latin|Pidorubicina INN-Spanish|Epirubicin INN:BAN|Farmorubicin|4'-epi-Doxorubicin|WP 697|Pidorubicin|UNII-3Z8479ZZ5X|CCRIS 2261|HSDB 6962|NSC 256942|BRN 1445813|4'-epi-DX|CHEBI:47898|AOJJSUZBOXZQNB-VTZDEGQISA-N|3Z8479ZZ5X|4'-Epi-DXR|Pharmorubicin Pfs|(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-(methyloxy)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside|(7S,9S)-7-(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yloxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione|5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-beta-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-|Epirubicin (INN)|Farmorubicin (TN)|NSC256942|NSC-256942|Acid, 8|AC1Q6JIV|CHEMBL417|AC1L26NP|SCHEMBL8582|DTXSID0022987|EPIRUBICIN(Hydrochloride form)|BDBM43839|CTK8F9465|56390-09-1 (hydrochloride)|Doxorubicin-13CD3 (discontinued)|ZINC3938704|AKOS027327569|CS-2824|DB00445|VA10821|NCGC00263918-04|(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside|(7S,9R)-7-(2S,4S,5R,6S)-4-Amino-5-hydroxy-6-methyl-oxan-2-yloxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione|(7S,9S)-7-(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yloxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione|10-((3-amino-2,3,6-trideoxy-beta-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-(8S-cis)-5,12-naphthacenedione|5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-|AK326115|AN-40147|HY-13624|LS-93992|SBI-0206890.P001|LS-187190|FT-0630692|C11230|D07901|15206-EP2269994A1|15206-EP2270008A1|15206-EP2270018A1|15206-EP2272827A1|15206-EP2275420A1|15206-EP2280012A2|15206-EP2281815A1|15206-EP2289892A1|15206-EP2292615A1|15206-EP2292617A1|15206-EP2295055A2|15206-EP2295416A2|15206-EP2295426A1|15206-EP2295427A1|15206-EP2298748A2|15206-EP2298764A1|15206-EP2298765A1|15206-EP2298768A1|15206-EP2298778A1|15206-EP2298780A1|15206-EP2301928A1|15206-EP2301933A1|15206-EP2305640A2|15206-EP2305642A2|15206-EP2305671A1|15206-EP2305689A1|15206-EP2308855A1|15206-EP2308861A1|15206-EP2311453A1|15206-EP2311808A1|15206-EP2311825A1|15206-EP2311827A1|15206-EP2311829A1|15206-EP2311840A1|15206-EP2311842A2|15206-EP2316832A1|15206-EP2316833A1|AB00698552-11|AB00698552-13|AB00698552-14|AB00698552_15|AB00698552_16|A831042|BRD-K04548931-003-16-5|(7S,9S)-7-(2R,4S,5R,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yloxy-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione|(7S,9S)-7-(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyloxy-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione|(8S,10S)-10-{(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yloxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione|4'-Epidoxorubicin|||4'-Epiadriamycin|||(8S,10S)-10-(((2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione|5,12-Naphthacenedione, 10-(3-amino-2,3,6-trideoxy-.alpha.-L-arabino-hexopyranosyl)oxy-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-, (8S,10S)-|5,12-Naphthacenedione,10-(3-amino-2,3,6-trideoxy-a-L-arabino-hexopyranosyl)oxy-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S,10S)-|57918-25-9| |
| n.a. |
natural product |
Tanacetum parthenium|Ambrosia psilostachya|Michelia yunnanensis |
Path=MLL pathway|MAPK14 pathway|Gen=HDAC,NF-?B,Mdm2,p53|Aldehyde dehydrogenase 1A1 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Parathyroid hormone receptor - Homo sapiens | Vitamin D receptor - Homo sapiens | Ferritin light chain - Equus caballus | Regulator of G-protein signaling 4 - Homo sapiens | Geminin - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens|Acetylcholinesterase - Electrophorus electricus | Nuclear factor NF-kappa-B p65 subunit - Homo sapiens | Nitric oxide synthase, inducible - Mus musculus | Serotonin 2a (5-HT2a) receptor - Rattus norvegicus | Caspase-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Cholinesterase - Equus caballus | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Transcriptional activator Myb - Gallus gallus | NACHT, LRR and PYD domains-containing protein 3 - Homo sapiens | UDP-N-acetylglucosamine 1-carboxyvinyltransferase - Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) | UDP-N-acetylglucosamine 1-carboxyvinyltransferase - Escherichia coli K-12 | Transcription factor Sp1 - Homo sapiens | Cyclooxygenase-2 - Homo sapiens |Org= Plasmodium falciparum | Orobanche cernua var. cumana|TAR DNA-binding protein 43 - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Ataxin-2 - Homo sapiens | Parathyroid hormone receptor - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|pre-B leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Medulloblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Melanoma|malignant melanoma|Skin Cancer|Epithelial cell carcinoma|Small Cell Lung Cancer|Small Cell Lung Carcinoma|Gen=NF-?B |
3D viewer |
Pubchem |
|
4692 |
20554-84-1 |
CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C |
KTEXNACQROZXEV-UHFFFAOYSA-N |
248.14000 |
C15H20O3 |
1.7578 |
3 |
0 |
38.83 |
2.0 |
18 |
3 |
A comparison of the effects of an extract of feverfew and parthenolide, a component of feverfew, on human platelet activity in-vitro.|Inhibition of the expression of inducible cyclooxygenase and proinflammatory cytokines by sesquiterpene lactones in macrophages correlates with the inhibition of MAP kinases.|Rabbit cerebral cortex 5HT1a receptors.|Antimycobacterial evaluation of germacranolides.|Sesquiterpene lactones inhibit inducible nitric oxide synthase gene expression in cultured rat aortic smooth muscle cells.|Sesquiterpene lactones with potential use as natural herbicide models (I): trans,trans-germacranolides. |
|
| Flavone |
anticancer |
Lonchocarpus spp|Trifolium alexandrinum|Commelina communis|Ceratophyllum submersum|Carpobrotus edulis|Swertia hickinii|Plutella xylostella|Tilletia laevis|Daedaleopsis confragosa|Phoenix dactylifera|Epicoccum nigrum|Mahoniae caulis|Oroxylum indicum|Dracocephalum kotschyi|Ginkgo semen|Herba desmodii styracifolii|Lippia carviodora|Mahoniae eadix|Ilex rotunda|Radix tetrastigmatis hemsleyani|Aplysina cauliformis|Mahoniae folum|Rhizoma paridis|Amycolatopsis azurea|Hippophae fructus|Folium aconiti szechenyiani|Parmelia metastrigosa|Gleditsiae spina|Desmodium styracifolium|Oecophylla smaragdina|Streptomyces venezuelae|Primula pulverulenta|Lespedeza homoloba|Pericarpium citri reticulatae viride|Primula farinosa|Hemerocallis minor|Chamaemelum nobile|Psilostrophe cooperi|Schkuhria multiflora|Folium aconiti|Brucea javanica|Anthocleista grandiflora|Orgyia australis postica|Lolium perenne|Sideritis tragoriganum|Pneumatospora obcoronata|Cephalonomia gallicola|Centrolobium tomentosum|Myrica nana|Asplenium normale|Chrysanthemum morifolium|Yponomeuta malinellus|Helleborus caucasicus|Solanum jamaicense|Castanea crenata|Chelidonura fulvipunctata|Hypoestes serpens |
Gen=Others|Calmodulin - Homo sapiens | DNA-dependent protein kinase - Homo sapiens | Geminin - Homo sapiens | Androgen Receptor - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Poly [ADP-ribose] polymerase-1 - Homo sapiens | Tankyrase-2 - Homo sapiens | Survival motor neuron protein - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Nuclear receptor ROR-gamma - Homo sapiens | Xanthine dehydrogenase - Bos taurus | Nuclear receptor subfamily 1 group I member 2 - Rattus norvegicus | 11-beta-hydroxysteroid dehydrogenase 1 - Homo sapiens | Adenosine A3 receptor - Homo sapiens | ATP-binding cassette sub-family G member 2 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Carbonic anhydrase I - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Glucagon-like peptide 1 receptor - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Retinoid X receptor alpha - Homo sapiens | Nuclear factor NF-kappa-B p105 subunit - Homo sapiens | Ras-related protein Rab-9A - Homo sapiens | Tankyrase-1 - Homo sapiens | Adenosine A1 receptor - Rattus norvegicus | P-glycoprotein 1 - Homo sapiens | Glucocorticoid receptor - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Monoamine oxidase A - Homo sapiens | Carbonic anhydrase IX - Homo sapiens | Aryl hydrocarbon receptor - Homo sapiens | Aminopeptidase N - Homo sapiens | Epidermal growth factor receptor erbB1 - Homo sapiens | Triosephosphate isomerase, glycosomal - Trypanosoma cruzi | Niemann-Pick C1 protein - Homo sapiens | Heat shock protein beta-1 - Homo sapiens | Estradiol 17-beta-dehydrogenase 2 - Homo sapiens | Carbonic anhydrase XII - Homo sapiens | Interleukin-8 - Homo sapiens | Androgen Receptor - Rattus norvegicus | Cytochrome P450 19A1 - Homo sapiens | Carbonic anhydrase II - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Cyclooxygenase-2 - Mus musculus | Estradiol 17-beta-dehydrogenase 1 - Homo sapiens |Org= Rattus norvegicus | Trypanosoma cruzi | Spodoptera litura | Dermatophagoides pteronyssinus | Filobasidiella neoformans | Plasmodium falciparum | Candida parapsilosis | Human immunodeficiency virus 1 | Aspergillus niger |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Prostate Cancer|Prostate Adenocarcinoma|Gen=Others |
3D viewer |
Pubchem |
4HKI 2G0L |
10680 |
525-82-6 |
C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2 |
VHBFFQKBGNRLFZ-UHFFFAOYSA-N |
222.24000 |
C15H10O2 |
3.136 |
2 |
0 |
26.30 |
1.0 |
17 |
3 |
Flavone, a class of flavonoids, mainly found in spices and red or purple plant foods with antioxidant, anti-proliferative, anti-tumor, anti-microbial, estrogenic, acetyl cholinesterase, anti-inflammatory activities and are also used in cancer, cardiovascular disease, neurodegenerative disorders etc. |
2-Phenylchromone, 2-Phenyl-4-chromone, 2-Phenyl-4-benzopyron |
| Globostellatic Acid A |
natural product |
Stelletta spp|Stelletta globostellata |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
23682805 |
No Cas |
CC(=CC=CC(C)(C)O)C=CC(=O)C(=C1C(=O)CC2C1(CCC3C2(CCC(C3(C)C(=O)[O-])OC(=O)C)C)C)C.[Na+] |
PIQXLCRSDXWNHI-DKNHMXAFSA-M |
539.30000 |
C32H44O7.Na |
1.7007 |
7 |
1 |
120.80 |
18.0 |
39 |
3 |
|
|
| n.a. |
natural product |
Schisandra chinensis |
Histone acetyltransferase GCN5 - Homo sapiens |
Dis=Breast Cancer|Ductal Adenocarcinoma|Breast Carcinoma|Chronic Myelogenous Leukemia|Head and Neck Cancers|epidermoid carcinoma of the nasopharynx |
3D viewer |
Pubchem |
|
332607 |
No Cas |
CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C(C1(C)O)OC(=O)C5=CC=CC=C5)OC)OC)OC)OC)OCO3 |
UFCGDBKFOKKVAC-UHFFFAOYSA-N |
536.20000 |
C30H32O9 |
-0.5025 |
3 |
1 |
101.91 |
14.0 |
39 |
5 |
Inhibition by gomisin C (a lignan from Schizandra chinensis) of the respiratory burst of rat neutrophils.|Identification and characterization of potent CYP3A4 inhibitors in Schisandra fruit extract.|Dibenzocyclooctadiene lingnans: a class of novel inhibitors of P-glycoprotein.|Protective effects of dibenzocyclooctadiene lignans from Schisandra chinensis against beta-amyloid and homocysteine neurotoxicity in PC12 cells.|Anti-inflammatory effect of heme oxygenase-1 toward Porphyromonas gingivalis lipopolysaccharide in macrophages exposed to gomisins A, G, and J.|Pharmacokinetic study of schisandrin, schisandrol B, schisantherin A, deoxyschisandrin, and schisandrin B in rat plasma after oral administration of Shengmaisan formula by UPLC-MS. |
Schizantherin A|Gomisin C|SCHISANTERIN A|NSC330516|Q-100675|Schisantherin A,(S)|AC1L7BHR|CHEMBL1704343|MolPort-020-005-654|UFCGDBKFOKKVAC-UHFFFAOYSA-N|Schisantherin A, >=98% (HPLC)|CCG-208608|NSC-330516|NCGC00163664-01|Gomisin, 98%, from Schisandra chinensis|NCI60_002892|SR-05000002172|SR-05000002172-2|6-Hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo3,4cycloocta1,2-f1,3benzodioxol-5-yl benzoate #|Benzo3,2-f1,3benzodioxole-5,6-diol, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, 5-benzoate, stereoisomer| |
| Aplysinoplide B |
natural product |
Aplysinopsis digitata |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
24896702 |
No Cas |
CC1=C(C(CCC1)(C)C)CCC(=CCCC(=CCC(C2=CC(=O)OC2O)O)CO)C |
KSNNYMFBQQASJN-QGQXVBDASA-N |
418.27000 |
C25H38O5 |
2.1413 |
5 |
3 |
86.99 |
17.0 |
30 |
2 |
|
|
| Aplysinoplide A |
natural product |
Aplysinopsis digitata |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
24896704 |
No Cas |
CC1=C(C(CCC1)(C)C)CCC(=CCCC(=CC=CC2=CC(=O)OC2O)CO)C |
IXZLFRIHNOJYGA-QGBXNASSSA-N |
400.26000 |
C25H36O4 |
2.8642 |
4 |
2 |
66.76 |
15.0 |
29 |
2 |
|
|
| 4-(3-Hydroxybutyl)Phenol |
natural product |
Acer nikoense|Rhododendron mucronatum|Rhododendron dauricum |
Aberrant vpr protein - Human immunodeficiency virus 1 | Beta-lactamase AmpC - Escherichia coli K-12 | Large T antigen - Simian virus 40 |Org= Plasmodium falciparum |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Org=Plasmodium falciparum |
3D viewer |
Pubchem |
|
97790 |
69617-84-1 |
CC(CCC1=CC=C(C=C1)O)O |
SFUCGABQOMYVJW-UHFFFAOYSA-N |
166.10000 |
C10H14O2 |
-1.1453 |
1 |
2 |
40.46 |
6.0 |
12 |
1 |
Microsphere-based protease assays and screening application for lethal factor and factor Xa.|High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.|Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.|Depigmentation of the skin induced by 4-(4-hydroxyphenyl)-2-butanol is spontaneously re-pigmented in brown and black guinea pigs.|Rhododenol-induced leukoderma in a mouse model mimicking Japanese skin. |
4-(3-Hydroxybutyl)phenol|69617-84-1|rac-Rhododendrol|4-(p-Hydroxyphenyl)-2-butanol|4- (3- hydroxybutyl)phenol|4-(p-Hydroxyphenyl)butan-2-ol|4-(4-Hydroxyphenyl)-2-butanol|Benzenepropanol, 4-hydroxy-.alpha.-methyl-|CHEBI:81278|Rhododendrol, (+/-)-|Rhododenol|Frambinol|EINECS 274-056-1|(+/-)-Rhododendrol|(+/-)-4-(4-Hydroxyphenyl)-2-butanol|Benzenepropanol, 4-hydroxy-alpha-methyl-|AI3-31843|AC1Q2BV7|AC1Q7A7O|MLS001048912|SCHEMBL105870|AC1L3Z96|CHEMBL108014|CTK6A7455|MolPort-002-534-278|HMS2619L14|NSC40514|4-Hydroxy-|A-methyl-benzenepropanol|MFCD01117650|NSC 40514|NSC-40514|STK015339|AKOS000126144|AKOS017269824|MCULE-1743643873|NE21681|Rhododendrol, >=95% (LC/MS-ELSD)|NCGC00246242-01|SMR000037104|FT-0674407|R0121|EN300-31143|C17690|NCGC00246242-02!4-(3-hydroxybutyl)phenol| |
| Berkeleydione |
natural product |
Penicillium sp|Penicillium sp.|Penicillium rubrum |
Path=CASP1 pathway|MMP3 pathway|Interleukin-1 beta - Homo sapiens | Caspase-1 - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Non-small Cell Lung Cancer|large cell carcinoma |
3D viewer |
Pubchem |
|
21580417 |
No Cas |
CC1=C2CC(=O)OC(C2=CCC3(C1CC4(C(=C)C3(C(=O)C(C4=O)(C)O)C(=O)OC)C)C)(C)C |
RBGYOLFHIDJTOX-VMXKAMJHSA-N |
456.21000 |
C26H32O7 |
1.9045 |
7 |
1 |
106.97 |
10.0 |
33 |
4 |
Berkeleydione and berkeleytrione, new bioactive metabolites from an acid mine organism. |
|
| Myricetin 3-O-Rhamnpyranoside |
natural product |
Myrica rubra|Polygonum aviculare|Polygonum orientale|Ardisia japonica |
Gen=PKC|DNA polymerase beta - Homo sapiens | Muscleblind-like protein 1 - Homo sapiens | Zinc finger protein mex-5 - Caenorhabditis elegans | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Cytoplasmic zinc-finger protein - Caenorhabditis elegans | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Microtubule-associated protein tau - Homo sapiens | DNA polymerase kappa - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | Flap endonuclease 1 - Homo sapiens | Mannose-6-phosphate isomerase - Homo sapiens | Lysosomal alpha-glucosidase - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Ataxin-2 - Homo sapiens | Serine/threonine-protein kinase PLK1 - Homo sapiens | DNA polymerase eta - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | DNA polymerase iota - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Rap guanine nucleotide exchange factor 3 - Homo sapiens | Protein disulfide-isomerase - Homo sapiens |Org= Plasmodium falciparum|Arginase - Leishmania amazonensis|Cholinesterase - Equus caballus | Acetylcholinesterase - Electrophorus electricus |Org= Heliothis virescens| Glutaminase kidney isoform, mitochondrial - Homo sapiens | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 - Homo sapiens | Lysine-specific demethylase 4A - Homo sapiens | Lethal(3)malignant brain tumor-like protein 1 - Homo sapiens | |
Dis=Acute Myeloid Leukemia|Basophilic Leukemia|Gen=TGF-beta/Smad |
3D viewer |
Pubchem |
|
21026818 |
No Cas |
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O |
DCYOADKBABEMIQ-IEXKHBKUSA-N |
464.10000 |
C21H20O12 |
-4.8524 |
6 |
8 |
206.60 |
12.0 |
33 |
4 |
Effects of Alchornea cordifolia on elastase and superoxide anion produced by human neutrophils. |
|
| 5-Hydroxy-2-(4-Hydroxyphenyl)-7-Methoxy-2,3-Dihydrochromen-4-One |
natural product |
Chromolaena odorata|Artemisia campestris|Prunus pseudocerasus |
Nuclear receptor ROR-gamma - Mus musculus | DNA polymerase eta - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Beta-glucocerebrosidase - Homo sapiens | Geminin - Homo sapiens | Ferritin light chain - Equus caballus | Adenosine A3 receptor - Homo sapiens | Ataxin-2 - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | Microtubule-associated protein tau - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Adenosine A1 receptor - Rattus norvegicus | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 - Homo sapiens |Org= Plasmodium falciparum |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Non-small Cell Lung Cancer|Lewis Lung carcinoma |Org=Plasmodium falciparum |
3D viewer |
Pubchem |
3D04 |
348130 |
520-29-6 |
COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)O |
DJOJDHGQRNZXQQ-UHFFFAOYSA-N |
286.08000 |
C16H14O5 |
-1.4059 |
1 |
2 |
75.99 |
5.0 |
21 |
3 |
Microsphere-based protease assays and screening application for lethal factor and factor Xa.|High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.|Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.|In vitro antileishmanial and antitrypanosomal activities of flavanones from Baccharis retusa DC. (Asteraceae).|Secondary metabolites from the roots of Neolitsea daibuensis and their anti-inflammatory activity. |
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychroman-4-one|2957-21-3|520-29-6|NSC-407228|CHEMBL74852|NSC407228|5-Hydroxy-2-(4-hydroxy-phenyl)-7-methoxy-chroman-4-one|4',5-Dihydroxy-7-methoxyflavanone|4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-|Sakauranetin|AC1L88VP|MLS000876793|SCHEMBL555541|MEGxp0_000557|ACon1_000001|CTK7A0392|DJOJDHGQRNZXQQ-UHFFFAOYSA-N|MolPort-000-165-376|HMS2271F13|ACM520296|ANW-46713|BDBM50049387|AKOS015965397|5,4''-Dihydroxy-7-o-methoxyflavanone|MCULE-3240859900|NCGC00168885-01|4CN-1155|AC-20247|SMR000440561|ST098728|AX8150744|ST2406270|TC-135458|5,4'-Dihydroxy-7-methoxyflavanone monohydrate|Flavanone,5-dihydroxy-7-methoxy-, (S)-(-)-|L000892|BRD-A32263173-001-01-2|5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one|5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one #|4H-1-Benzopyran-4-one,2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-|4H-1-Benzopyran-4-one,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-, (S)-|2,?3-?dihydro-?5-?hydroxy-?2-?(4-?hydroxyphenyl)?-?7-?methoxy-4H-?1-?Benzopyran-?4-?one| |
| 7-Hydroxy-2-(4-Hydroxyphenyl)-2,3-Dihydrochromen-4-One |
natural product |
Platymiscium floribundum|Sargassum pallidum|Glycyrrhiza inflata|Dalbergia odorifera|Sophora flavescens|Epimedium koreanum|Spatholobus suberectus|Glycyrrhiza glabra|Robinia pseudoacacia|Glycyrrhiza uralensis|Cicer arietinum |
Gen=Estrogen/progestogen Receptor |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Colorectal Cancer|ileocecal colorectal adenocarcinoma |Melanoma|Murine Melanoma|Gen=Endocrinology & Hormones |
3D viewer |
Pubchem |
1FM7 1JX1 1JX0 |
1889 |
69097-97-8 |
C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O |
FURUXTVZLHCCNA-UHFFFAOYSA-N |
256.07000 |
C15H12O4 |
-1.3541 |
1 |
2 |
66.76 |
3.0 |
19 |
3 |
Microsphere-based protease assays and screening application for lethal factor and factor Xa.|High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.|Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
DL-Liquiritigenin|69097-97-8|7-hydroxy-2-(4-hydroxyphenyl)chroman-4-one|CHEMBL271939|4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-|41680-09-5|(+/-)-Liquiritienin|AC1L1CGL|7,4''-dihydroxyflavanone|4'',7-Dihydroxyflavanone|cid_1889|Oprea1_134668|MLS000697612|GTPL8899|SCHEMBL1071066|CTK1J1446|DTXSID90274339|CHEBI:136678|FURUXTVZLHCCNA-UHFFFAOYSA-N|MolPort-005-944-750|HMS2268K07|HMS3604C10|DFV|BDBM50228333|AKOS024462907|CCG-103352|MCULE-2064774552|NCGC00247525-01|AN-46049|SMR000470946|ST24046653|7-Hydroxy-2-(4''-hydroxyphenyl)chroman-4-one|S-0065|7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one|7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one|7-Hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one #|7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one|NCGC00247525-02!7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one|4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-, (2S)-| |
| Globostellatic Acid B |
natural product |
Stelletta spp |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
23682807 |
No Cas |
CC(=C1C(=O)CC2C1(CCC3C2(CCC(C3(C)C(=O)[O-])OC(=O)C)C)C)C=CC=C(C)C(C=CC(C)(C)O)OC.[Na+] |
BHUMXQLANUZBGM-CKDMDEKCSA-M |
555.33000 |
C33H48O7.Na |
1.969 |
7 |
1 |
112.96 |
20.0 |
40 |
3 |
|
|
| Cladiellisin |
natural product |
Virgularia juncea|Cladiella pachyclados |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
44567169 |
No Cas |
CC(C)C1CCC(=C)C2C1C3C(CCC(C(=C)CC2O3)O)(C)O |
KIZAKRQUJAYYGA-SCDLFQHWSA-N |
320.24000 |
C20H32O3 |
0.2269 |
3 |
2 |
49.69 |
6.0 |
23 |
3 |
|Design of semisynthetic analogues and 3D-QSAR study of eunicellin-based diterpenoids as prostate cancer migration and invasion inhibitors. |
|
| Palauolide |
natural product |
Thorectandra spp |
|
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Kidney Cancer|Renal Cell Adenocarcinoma|Melanoma|malignant melanoma|Non-small Cell Lung Cancer|large cell carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |
3D viewer |
Pubchem |
|
13859138 |
No Cas |
CC1CCC2(C(C1(C)CCC(=CC=CC3=CC(=O)OC3O)C)CCCC2=C)C |
JFXRRRSBGSPRCO-MMWFQGMQSA-N |
384.27000 |
C25H36O3 |
2.6599 |
3 |
1 |
46.53 |
10.0 |
28 |
3 |
|
|
| Cudraxanthone M |
natural product |
Cudrania tricuspidata |
Sialidase - Clostridium perfringens | Acyl coenzyme A:cholesterol acyltransferase 2 - Homo sapiens | Acyl coenzyme A:cholesterol acyltransferase 1 - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |
3D viewer |
Pubchem |
|
11689770 |
No Cas |
CC1C(C2=C(O1)C=C3C(=C2O)C(=O)C4=CC(=C(C(=C4O3)CC=C(C)C)O)O)(C)C |
ZYJVDWWKUSJAQY-UHFFFAOYSA-N |
396.16000 |
C23H24O6 |
0.8396 |
1 |
3 |
96.22 |
10.0 |
29 |
4 |
Anti-atherosclerotic and anti-inflammatory activities of catecholic xanthones and flavonoids isolated from Cudrania tricuspidata.|Characteristic of neuraminidase inhibitory xanthones from Cudrania tricuspidata. |
|
| Plakortolide B |
natural product |
Plakinastrella onkodes |
Protein kinase C beta - Homo sapiens | Protein kinase C alpha - Homo sapiens | Protein kinase C epsilon - Homo sapiens | Protein kinase C delta - Homo sapiens | Protein kinase C gamma - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
10408826 |
159985-01-0 |
CC(CCCCCCCCC1=CC=CC=C1)CC2(CC3(C(CC(=O)O3)OO2)C)C |
OWAXZSHAFBBOBX-UMDLYYTKSA-N |
402.28000 |
C25H38O4 |
-0.1163 |
4 |
0 |
44.76 |
14.0 |
29 |
3 |
|
|
| Cespitularin A |
natural product |
Cespitularia hypotentaculata |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
12967196 |
No Cas |
CC1=CC(CC(=C)CCC2CCC3=COC(=C3C2(C)C)C1)O |
JVNAZMDBBAYMLF-AUORYKPQSA-N |
300.21000 |
C20H28O2 |
2.389 |
1 |
1 |
33.37 |
4.0 |
22 |
3 |
|
|
| Quinine |
natural product |
Cinchona spp |
Geminin - Homo sapiens | Cytochrome P450 2D3 - Rattus norvegicus | Parathyroid hormone receptor - Homo sapiens | Cytochrome P450 2D6 - Homo sapiens | Cytochrome P450 2D18 - Rattus norvegicus | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Cytochrome P450 2D1 - Rattus norvegicus | Thyroid hormone receptor beta-1 - Homo sapiens | Cytochrome P450 2D2 - Rattus norvegicus |Org= Plasmodium falciparum | Plasmodium falciparum 3D7 | Mycobacterium tuberculosis H37Rv | Lactobacillus casei | Escherichia coli | Entamoeba histolytica | Leishmania mexicana mexicana | Plasmodium falciparum (isolate K1 / Thailand) | Trypanosoma brucei brucei | Enterococcus faecium |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Org=Plasmodium falciparum | Plasmodium falciparum 3D7 | Mycobacterium tuberculosis H37Rv | Lactobacillus casei | Escherichia coli | Entamoeba histolytica | Leishmania mexicana mexicana | Plasmodium falciparum (isolate K1 / Thailand) | Trypanosoma brucei brucei | Enterococcus faecium |
3D viewer |
Pubchem |
4WNU |
8549 |
No Cas |
COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O |
LOUPRKONTZGTKE-VOMFEXJBSA-N |
324.18000 |
C20H24N2O2 |
-0.5136 |
3 |
1 |
45.59 |
6.0 |
24 |
2 |
Development of a pharmacophore for inhibition of human liver cytochrome P-450 2D6: molecular modeling and inhibition studies.|Microsphere-based protease assays and screening application for lethal factor and factor Xa.|Differential effects of quinoline antimalarials on endocytosis in Plasmodium falciparum.|Pharmacophore based discovery of potential antimalarial agent targeting haem detoxification pathway.|Plasmodium falciparum Na+/H+ exchanger 1 transporter is involved in reduced susceptibility to quinine.|Atorvastatin is a promising partner for antimalarial drugs in treatment of Plasmodium falciparum malaria. |
Quinine BAN|(-)-Quinine|Quinine anhydrous|Chinin German|6-Methoxycinchonine|Quinine (BAN)|NCGC00166281-01|DSSTox_CID_24280|DSSTox_RID_80140|DSSTox_GSID_44280|Quinineanhydrous|CCRIS 5755|130-95-0|HSDB 2501|Quinoline alkaloid|C20H24N2O2|EINECS 205-003-2|6'-Methoxycinchonine|Aflukin|Coco-Quinine|Quinine sulphate|(R)-(-)-Quinine, 6-methoxycinchonidine|Quinine bisulfate|CAS-130-95-0|(8-alpha,9R)-6'-Methoxycinchonan-9-ol|NSC 5362|6'-Methoxycinchonan-9-ol|Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-|SR-01000075160|Cinchonan-9-ol, 6'-methoxy-|Quindan|Quinimax|Quininae|2-Quinuclidinemethanol, alpha-(6-methoxy-4-quinolyl)-5-vinyl-|Quinine Dab|(8S,9R)-6'-Methoxycinchonan-9-ol|Kinder Quinina (TN)|Cinchonan-9-ol, 6'-methoxy-, (8-alpha,9R)-|AC1L1R7Y|Lopac0_001029|MLS001304041|CHEMBL387326|SCHEMBL12310700|MolPort-002-507-196|HMS1607A11|HMS2233L08|Tox21_112389|BDBM50411276|AKOS015955637|Tox21_112389_1|NCGC00274071-01|SMR000718748|LS-141252|C06526|D08460|SR-01000075160-1|SR-01000075160-12|(alphaR,2S)-alpha-(6-Methoxy-4-quinolyl)-5beta-vinyl-2alpha-quinuclidinemethanol|(R)-(2S,5R)-5-ethenyl-1-azabicyclo2.2.2octan-2-yl-(6-methoxyquinolin-4-yl)methanol| |
| Philadelphicalactone A |
natural product |
Physalis philadelphica |
Quinone oxidoreductase - Mus musculus |
Dis=Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Prostate Cancer|Prostate Adenocarcinoma |
3D viewer |
Pubchem |
|
11038269 |
No Cas |
CC1CC(OC(=O)C1C)C(C)(C2(CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)O)O |
ODFGLJQOCBLUPX-HRWIZJFJSA-N |
488.28000 |
C28H40O7 |
-0.1569 |
7 |
3 |
116.59 |
10.0 |
35 |
6 |
|
|
| Thorectandrol B |
natural product |
Thorectandra spp|thorectandra sp. |
|
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Kidney Cancer|Renal Cell Adenocarcinoma|Melanoma|malignant melanoma|Non-small Cell Lung Cancer|large cell carcinoma|Lung Epithelial Carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |
3D viewer |
Pubchem |
|
5352107 |
No Cas |
CC1CCC2(C(C1(CCC(=CCC3C(CC(=O)O3)CO)C)COC(=O)C)CCCC2=C)C |
LXMKQCAAVQEDRO-GQAGCTKMSA-N |
446.30000 |
C27H42O5 |
1.1283 |
5 |
1 |
72.83 |
14.0 |
32 |
3 |
|
|
| Granosolide A |
natural product |
Sinularia granosa|Sinularia querciformis |
Path=NOS2 pathway |
Dis=Acute Lymphoblastic Leukemia|Abelson murine leukemia virus-induced tumor |
3D viewer |
Pubchem |
|
25137621 |
No Cas |
CC(=O)OC1CCC(=C)C2CCC(O2)(C(CC3CCC1(OC(=O)C3=C)C)O)C |
FKJVUNAVIADAQC-UQXDBHSJSA-N |
392.22000 |
C22H32O6 |
0.5978 |
6 |
1 |
82.06 |
6.0 |
28 |
3 |
|
|
| Hantupeptin A |
natural product |
Lyngbya majuscula |
Org=Artemia |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Org=Artemia |
3D viewer |
Pubchem |
|
25210138 |
No Cas |
CCC(C)C1C(=O)OC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)NC(C(=O)N1C)C(C)C)C)CCCC#C)C(C)C)C)CC3=CC=CC=C3 |
QEERUAVEBIAUIV-QUIBGUPGSA-N |
736.44000 |
C41H60N4O8 |
-1.7129 |
12 |
1 |
146.12 |
19.0 |
53 |
3 |
|Stereoselective Synthesis of Southern Fragment of Hantupeptin A. |
|
| Callyspongenol A |
natural product |
Callyspongia spp |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Cervical Cancer|Cervical Adenocarcinoma |
3D viewer |
Pubchem |
|
44566802 |
No Cas |
C#CC=CCCCCC#CCCCC#CCCCC#CCO |
XIRZNTIBRGYCMQ-ARJAWSKDSA-N |
294.20000 |
C21H26O |
1.9708 |
1 |
1 |
20.23 |
9.0 |
22 |
0 |
|
|
| Nephthenol |
natural product |
Nephthea brassica |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Cervical Cancer|Cervical Carcinoma Papilloma |Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma |
3D viewer |
Pubchem |
|
11822406 |
No Cas |
CC1=CCCC(=CCC(CCC(=CCC1)C)C(C)(C)O)C |
ZJWQYSDAWSDJRA-SZPHWZFISA-N |
290.26000 |
C20H34O |
3.5867 |
1 |
1 |
20.23 |
7.0 |
21 |
1 |
|
|
| Tetradehydrohalicyclamine A |
natural product |
Amphidinium sp |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
54581972 |
No Cas |
C1CCCC2CN3CCC=CC=CCCCCC4=CC(=C[N+](=C4)CCC=CC=CCC1)C2CC3.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)[O-] |
HTYPMRCGHQFGBU-BLYMJEJPSA-M |
459.37000 |
C32H47N2.2C2HF3O2 |
-1.6163 |
1 |
0 |
7.12 |
0.0 |
34 |
3 |
|
|
| n.a. |
natural product |
Shorea gibbosa|Vatica albiramis|Shorea roxburghii |
Acidic alpha-glucosidase - Rattus norvegicus | Sucrase-isomaltase - Rattus norvegicus | Aldose reductase - Rattus norvegicus |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
49866361 |
No Cas |
C1=CC(=CC=C1C2C(C3=C4C(C(OC4=C(C=C3)O)C5=CC=C(C=C5)O)C6=CC(=CC(=C26)O)O)O)O |
JCGHGXDDMUTYTL-WELLZUMNSA-N |
470.14000 |
C28H22O7 |
-3.2785 |
1 |
6 |
130.61 |
8.0 |
35 |
6 |
|
|
| Brassicolide |
natural product |
Nephthea brassica |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Cervical Cancer|Cervical Carcinoma Papilloma |Colorectal Cancer|Colorectal Adenocarcinoma |
3D viewer |
Pubchem |
|
21775543 |
No Cas |
CC1=CCCC2=CC(C(CCC(=CCC1)C)C(C)(C)O)OC2=O |
VIPUZYFCPBOJJF-UNIGNBCPSA-N |
318.22000 |
C20H30O3 |
2.7408 |
3 |
1 |
46.53 |
6.0 |
23 |
2 |
|
|
| Schigrandilactone B |
natural product |
Schisandra grandiflora |
Org=Human immunodeficiency virus 1 |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Org=Human immunodeficiency virus 1 |
3D viewer |
Pubchem |
|
44482063 |
No Cas |
CC1CC2(C3C(C(=O)C4(C3C5(O2)C(=O)C67C(O6)CC8C(OC9C8(CC7(O5)CC4)OC(=O)C9)(C)CO)C)C)OC1=O |
BUPVNIVIQIJHNI-HOVTYTAYSA-N |
558.21000 |
C29H34O11 |
-1.3941 |
11 |
1 |
147.19 |
6.0 |
40 |
9 |
|
|
| Wortmannilactone A |
natural product |
Talaromyces wortmannii |
|
Dis=Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
11697405 |
No Cas |
CC(CC1CC=CC=CC=CC(CC(CC(CC=CC=CC=CC(=O)O1)O)O)O)O |
FYXXVPQBBFJUET-BQRLCHNUSA-N |
418.24000 |
C24H34O6 |
0.2143 |
6 |
4 |
107.22 |
7.0 |
30 |
1 |
|
|
| Hachijodine B |
natural product |
Amphidinium sp|Xestospongia bergquistii|xestospongia|amphimedon |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
10063777 |
No Cas |
CC(CCCCCCCCCC1=CN=CC=C1)CCNOC |
GVVDKXZZQLSDMG-UHFFFAOYSA-N |
306.27000 |
C19H34N2O |
-2.3132 |
1 |
1 |
34.15 |
16.0 |
22 |
1 |
|
|
| Wortmannilactone B |
natural product |
Talaromyces wortmannii |
|
Dis=Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
11690576 |
No Cas |
CC(CC1CC=CC=CC=CC(CC(CC(CC=CC=CC=CC(=O)O1)O)O)OC)O |
RVOQCIAUFIYHFP-MXGJETJVSA-N |
432.25000 |
C25H36O6 |
0.6228 |
6 |
3 |
96.22 |
8.0 |
31 |
1 |
|
|
| Biscarpamontamine B |
natural product |
Tabernaemontana sphaerocarpa |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Multiple Myeloma|Plasmacytoma|Non-small Cell Lung Cancer|Squamous Celll Carcinoma |
3D viewer |
Pubchem |
|
46883150 |
No Cas |
COC1=CC=CC2=C1N3CC4(CC5C3(C26CCN7C6C8(C5)CC(=O)CC8CC7)O)C9C1(CCO9)CC(=C2C3(C1N(C4O)CC3)C1=CC=CC=C1N2)C(=O)OC |
SCPIROZFVJWUFE-LLSOSBHTSA-N |
746.37000 |
C44H50N4O7 |
-2.6897 |
10 |
3 |
124.04 |
7.0 |
55 |
13 |
|
|
| Granaxylocarpin A |
natural product |
Xylocarpus granatum |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
44421657 |
No Cas |
CCC(C)C(=O)OC1C(C(=O)C(C(C1(C)C)CC(=O)OC)C)C(C2(C(=O)CCC3(C2=CC(=O)OC3C4=COC=C4)C)O)OC(=O)C |
WLGITUVANAQCQM-CZXGELTISA-N |
644.28000 |
C34H44O12 |
-0.1725 |
11 |
1 |
172.71 |
21.0 |
46 |
4 |
|
|
| Querciformolide A |
natural product |
Sinularia granosa|Sinularia querciformis |
Path=NOS2 pathway |
Dis=Acute Lymphoblastic Leukemia|Abelson murine leukemia virus-induced tumor |
3D viewer |
Pubchem |
|
25137619 |
No Cas |
CC(=O)OC1CCC2(C(CC3CCC(C(=O)CCC1(O2)C)(OC(=O)C3=C)C)O)C |
JSILRCIAUYHSMM-ZVNQDOHQSA-N |
408.21000 |
C22H32O7 |
0.5431 |
7 |
1 |
99.13 |
7.0 |
29 |
3 |
|
|
| Isolushinin D |
natural product |
Isodon rubescens |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Breast Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |
3D viewer |
Pubchem |
|
46906438 |
No Cas |
CC(=O)OC1CC2C(C3(C1C45CCCC(C4CC3OC5OC)(C)C)C(=O)C2=C)O |
GZJPAFQOCRUACX-TVUWESQNSA-N |
404.22000 |
C23H32O6 |
-0.5636 |
6 |
1 |
82.06 |
8.0 |
29 |
3 |
|
|
| Biscarpamontamine A |
natural product |
Tabernaemontana sphaerocarpa |
|
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Multiple Myeloma|Plasmacytoma|Non-small Cell Lung Cancer|Squamous Celll Carcinoma |
3D viewer |
Pubchem |
|
46883149 |
No Cas |
CCC1CC2CC3(C1N(C2O)CCC4=C3N(C5=C4C=C(C=C5)OC)CC6=CC7(CC(=C8C9(C7N(C6)CC9)C1=CC=CC=C1N8)C(=O)OC)CCO)C(=O)OC |
PLQSKXBNHSCZCK-KLADJCPRSA-N |
748.38000 |
C44H52N4O7 |
-1.4955 |
10 |
3 |
125.73 |
16.0 |
55 |
8 |
|
|
| Globostellatic Acid D, G |
natural product |
Stelletta spp |
Org=Escherichia coli |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Org=Escherichia coli |
3D viewer |
Pubchem |
|
15938978 |
No Cas |
CC(=CC=CC(=C1C(=O)CC2C1(CCC3C2(CCC(C3(C)C(=O)O)O)C)C)C)C=CC(C(C)(C)O)OC |
SZHMATBACCQYNZ-DUUXOCRLSA-N |
514.33000 |
C31H46O6 |
2.2677 |
6 |
3 |
104.06 |
18.0 |
37 |
3 |
|
|
| Plakortide F |
natural product |
Plakortis sp|plakortis sp.|Bryopsis pennata |
Endothelin receptor ET-A - Homo sapiens |Org= Plasmodium falciparum | Human immunodeficiency virus | Mycobacterium tuberculosis | Toxoplasma gondii RH |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Colorectal Cancer|Colorectal Adenocarcinoma|Melanoma|malignant melanoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Org=Plasmodium falciparum | Human immunodeficiency virus | Mycobacterium tuberculosis | Toxoplasma gondii RH |
3D viewer |
Pubchem |
|
10450815 |
No Cas |
CCC=CC(CC)CCCC1(CC(C(OO1)CC(=O)OC)CC)CC |
JOIXERUBSWWODE-RQGNMBLMSA-N |
354.28000 |
C21H38O4 |
-0.2619 |
4 |
0 |
44.76 |
17.0 |
25 |
1 |
|
|
| Schisandrin B (Sch B) |
bioactive compound |
Schisandra chinensis|Schisandra fructus|Kadsura coccinea|Tripterygium wilfordii|Glycyrrhiza glabra|Schisandra rubriflora|Nicotiana undulata|Coreopsis nodosa|Streptomyces flocculus|Glycine tomentella|Tripolium pannonicum|Haematococcus lacustris|Senecio paludaffinis|Panax schinseng|Saccharomyces pastori|Hypoxylon rubiginosum|Tachigalia paniculata|Trigonella grandiflora|Pterocladiella tenuis|Uvaria calamistrata|Alstonia muelleriana|Passiflora incarnata|Dacrydium cupressinum|Artemisia cina|Tripterygii radix|Kadsurae coccineae radix et caulis|Schisandra sphenanthera| |
Path=ATM pathway|ATR pathway|ATRIP pathway|PIK3CA pathway|MTOR pathway|BRCA1 pathway|CHEK1 pathway|SMC1A pathway|TP53 pathway|MAPK1 pathway|MAPK3 pathway|Gen=ATM/ATR,P-gp|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus|Multidrug resistance-associated protein 1 - Homo sapiens | DNA-dependent protein kinase - Homo sapiens | Serine-protein kinase ATM - Homo sapiens | Serine-protein kinase ATR - Homo sapiens|Org=Human immunodeficiency virus |
Dis=Breast Cancer|Ductal Adenocarcinoma|Breast Carcinoma|Chronic Myelogenous Leukemia|Head and Neck Cancers|epidermoid carcinoma of the nasopharynx|Hepatobiliary Cancer|Hepatocellular Carcinoma|Kidney Cancer|Embryonic Kidney Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=PI3K/Akt/mTOR |
3D viewer |
Pubchem |
|
108130 |
61281-37-6 |
CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)OC)OC)OCO3 |
|
400.46000 |
C23H28O6 |
5.067 |
6 |
0 |
55.40 |
4.0 |
29 |
4 |
Schisandrin B is the most abundant dibenzocyclooctadiene lignan present in the traditional Chinese medicinal herb Schisandra chinensis (Turcz.) Baill. It is a kind of ATR and P-gp inhibitor with high safety. |
N/A |
| [(5R,6As,7R,8R,10S,10As)-1,3-Diacetyloxy-10-Hydroxy-7,8-Dimethyl-7-[(2E)-3-Methylpenta-2,4-Dienyl]-1,3,5,6,6A,8,9,10-Octahydrobenzo[D][2]Benzofuran-5-Yl] 2-Methylbutanoate |
natural product |
Casearia rupestris|Casearia sylvestris|Casearia membranacea|Laetia procera |
Org=Plasmodium falciparum | Leishmania amazonensis |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|ileocecal colorectal adenocarcinoma |Non-small Cell Lung Cancer|Lung Adenocarcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Prostate Cancer|Prostate Adenocarcinoma|Org=Plasmodium falciparum | Leishmania amazonensis |
3D viewer |
Pubchem |
|
44404742 |
No Cas |
CCC(C)C(=O)OC1CC2C(C(CC(C23C(OC(C3=C1)OC(=O)C)OC(=O)C)O)C)(C)CC=C(C)C=C |
FGGPIWICAGRSLN-RWIUFRQQSA-N |
518.29000 |
C29H42O8 |
1.985 |
8 |
1 |
108.36 |
19.0 |
37 |
3 |
|
|
| Tectoridin |
bioactive compound |
Pueraria thunbergiana|Pueraria montana var. thomsonii|Amorphinopsis foetida|Codonopsis radix|Puerariae flos|Iridis tectori rhizoma|Belamcandae rhizome|Iris domestica|Iris tectorum|Psammosilene tunicoides|Pueraria montana var. lobata|Belamcanda chinensis|Polygonatum odoratum|Maackia amurensis|Iris dichotoma|Astragalus wiedemannianus|Cochlospermum tinctorium|Bertya dimerostigma|Delphinium barbeyi|Asterias rathbuni|Fomes fastuosus |
Gen=Others |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Gen=Others |
3D viewer |
Pubchem |
|
5281810 |
611-40-5 |
COC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O |
|
462.40000 |
C22H22O11 |
0.194 |
5 |
6 |
175.00 |
5.0 |
33 |
4 |
Tectoridin, an isoflavone isolated from flowers of Pueraria thunbergiana, has several pharmacological effects including anti-cancer, anti-inflammatory, antioxidant, and hepatoprotectivy. |
Shekanin |
| Schizandrol A |
bioactive compound |
Schisandra chinensis|Schisandra fructus|Lagerstroemia indica|Schisandra sphenanthera|Schisandra rubriflora|Croton megistocarpus|Kadsura angustifolia|schisandra sphenathera|Trigonella foenum-graecum|Schisandra neglecta|Cacospongia scalaris|Baphicacanthus cusia|Persea kusanoi|Senecio isatideus|Geranium sibiricum |
Path=CCNA1 pathway|CCNB1 pathway|CCND1 pathway|CDK4 pathway|CDKN1A pathway|CDKN1B pathway|Gen=Others|Multidrug resistance-associated protein 1 - Homo sapiens | Nonstructural protein 1 - Influenza A virus |Org= Artemia salina | Human immunodeficiency virus 1 | Plasmodium falciparum |
Dis=Breast Cancer|Ductal Adenocarcinoma|Breast Carcinoma|Central Nervous System Cancers|Glioma|Cervical Cancer|Cervical Carcinoma Papilloma |Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|epidermoid carcinoma of the nasopharynx|Hepatobiliary Cancer|Hepatocellular Carcinoma|Neuroendocrine Tumors|Pheochromocytoma|Gen=Others |
3D viewer |
Pubchem |
|
23915 |
7432-28-2 |
CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)OC)OC)OC)OC)OC)OC |
|
432.51000 |
C24H32O7 |
4.05 |
6 |
0 |
75.60 |
6.0 |
31 |
3 |
Schizandrol A is one of the effective components in the dried fruit of Schizandra chinensis Bail and works by increasing dopamine, a neurotransmitter, in the brain. |
N/A |
| Glycitin |
bioactive compound |
Pueraria thunbergiana|Glycine max|Semen sojae praeparata|Semen sojae |
Gen=Others|Survival motor neuron protein - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | ATPase family AAA domain-containing protein 5 - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Gen=Others |
3D viewer |
Pubchem |
|
187808 |
40246-10-4 |
COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O |
|
446.40000 |
C22H22O10 |
0.436 |
5 |
5 |
155.00 |
5.0 |
32 |
4 |
Glycitin, a natural isoflavone isolated from legumes, has antibacterial, antiviral and estrogenic activities and may exerts preventative effects on alcoholism, cardiovascular and cerebrovascular diseases and some types of cancer. |
Glycitein-7-?-O-glucoside |
| Carnosic acid |
bioactive compound |
Rosmarinus officinalis|Chamaemelum fuscatum|Isodon adenolomus|Salvia officinalis|Achyrocline bogotensis|Tylophora atrofolliculata|Caria ino|Verbesina virgata|Dasymaschalon blumei|Penicillium pedemontanum|Cetraria ciliaris|Alstonia yunnanensis|Acer pictum subsp. okamotoanum|Protoparmeliopsis peltata|Doriopsilla areolata|Dalea versicolor|Sideritis cystosiphon|Senecio fuertesii|Scutellaria albida|Pholiota adiposa|Felimare midatlantica|Aspilia hispida|Blepharisma japonicum|Arthropsis truncata|Stachys tuberifera|Thymus quinquecostatus|Thymus vulgaris|Exodermis poria |
Gen=ROS|Protease - Human immunodeficiency virus 1 | Microtubule-associated protein tau - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Arachidonate 12-lipoxygenase - Homo sapiens | Vitamin D receptor - Homo sapiens | Ferritin light chain - Equus caballus | Arachidonate 15-lipoxygenase, type II - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | Pancreatic lipase - Homo sapiens | Prostaglandin E synthase - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis |Org= Human immunodeficiency virus 1 |
Dis=Acute Myeloid Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
|
65126 |
3650-09-7 |
CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)O |
|
332.43000 |
C20H28O4 |
4.905 |
1 |
2 |
77.80 |
2.0 |
24 |
3 |
Carnosic acid is a phenolic diterpene, endowed with antioxidative and antimicrobial properties. It is increasingly used within food, nutritional health and cosmetics industries. |
salvin |
| Genistein |
anticancer |
Pueraria thunbergiana|Pueraria radix|Pueraria mirifica|Dalbergia parviflora|Pueraria thomsonii|Cudrania tricuspidata|Pauridiantha callicarpoides|Coniochaeta saccardoi|Atroxima liberica|Lespedeza floribunda|Glycine max|Arum maximum|Streptomyces griseochromogenes|Tolypocladium album|Trogoderma granarium|aged korean fermented soybean paste|Glycyrrhiza glabra|Bergenia crassifolia|Euphrasia stricta|Astragalus spinosus|Streptomyces mirabilis|Glycyrrhiza inflata|Dalbergia obtusa|Rheum qinlingense|Palafoxia texana|Glycyrrhiza uralensis|Delphinium barbeyi|Papaver tatricum|Amaranthus spinosus|Dunalia solanacea|Lawsonia inermis|Dalbergia sissoo|Murraya exotica|Ips cembrae|Lippia integrifolia|Abies amabilis|Scolopia chinensis|Derris scandens|Murraya paniculata|Chelonaplysilla violacea|Piper dilatatum|Crotalaria orixensis|Heliotropium hirsutissimum|Calicotome villosa|Macadamia ternifolia|Peltogyne pubescens|Christisonia bicolor|[clostridium] cellulolyticum|Pueraria lobata|Prunus serrulata var. spontanea|Cullen corylifolium|Erysimum siliculosum|Pseudoceratina arabica|Citrus rugulosa|Albizia subdimidiata|Hyoscyamus pusillus|Andira inermis|Pueraria montana var. lobata|Astragalus bicuspis|Pterocarpus indicus|Allagopappus viscosissimus|Cistanche salsa|Nicotiana raimondii|Sanguisorba officinalis|Pueraria montana var. thomsonii|Zanthoxylum decaryi|Pleurotus japonicus|Lunularia cruciata|Flemingia macrophylla|Candida albicans|Teucrium betonicum|Sophora flavescens|Ranunculus peltatus|Justicia adhatoda|Homo sapiens|Setosphaeria holmii|Spatholobus suberectus|Desmodium styracifolium|Sophora japonica|Neomeris annulata|Conyza japonica|Coniophora puteana|Cistanches herba|Sisymbrium officinale|Sophora tonkinensis|Trollius europaeus|Lepidosperma ustulatum|Fomes fastuosus|Sojae semen praeparatum|Puerariae flos|Jamesoniella colorata|Streptomyces filamentosus|Trifolium pratense|Lecanora kukunorensis|Semiaquilegiae radix|Tenebrio obscurus|Vitex negundo|Cymodocea nodosa|Lupinus luteus|Aglaia australiensis|Hibiscus schizopetalus|Fructussophorae|Octopus vulgaris|Fumaria micrantha|Teucrium marum|Jacmaia incana|Piptanthus nepalensis|Davidsoniella virescens|Iridis tectori rhizoma|Pachychalina alcaloidifera|Dinophysis fortii|Stachys chrysantha|Atuna racemosa|Cordyceps sinensis|Maximowiczia sonorae|Radix puerariae|Camchaya loloana|Diplacus longiflorus|Styrax agrestis|Platytaenia lasiocarpa|Vepris nobilis|Belamcandae rhizome|Smilax bracteata|Chrysanthemum uliginosum|Eriocephalus punctulatus|Astragalus pycnanthus|Aspergillus albus|Kaempferia rotunda|Sojae semen nigrum|Chionodoxa gigantea|Pulsatilla campanella|Hydrangea serrata|Chamomilla recutita|Dendrobium candidum|Bonamia spectabilis|Sophorae tonkinensis radix et rhizome|Berlinia tomentosa|Garcinia oblongifolia|Amietophrynus regularis|Ophiopogon planiscapus|Eucommiae cortex|Tynanthus panurensis|Amorphinopsis foetida|Linum crispum|Melaleuca viminea|Pterodon emarginatus|Flos genkwa|Syzygium nervosum|Macrocentrus cingulum|Penstemon teucrioides|Xenia blumi|Ipomoea muricata|Streptomyces|Swertia decussata|Berberis floribunda|Rabdosia angustifolia|Tabebuia chrysantha|Trifolium resupinatum|Streptomyces roseolus nrrl b-5424|Inulanthera calva|Usnea canariensis|Panzeria canescens|Iyengaria stellata|Hapalosiphon delicatulus|Crassostrea virginica|Streptomyces globisporus 1912|Convallaria majalis|Crotalus atrox|Bertya dimerostigma|Pseudocinchona pachyceras|Streptomyces ans-127|Scutellaria sieberi|Munchausia speciosa|Rosulabryum capillare|Erycibe expansa|Petroselinum crispum|Piper wightii|Astragalus wiedemannianus|Tephrosia watsoniana|Ophiorrhiza kunstleri|phoma glomerata|Dalbergia odorifera|Licaria brasiliensis|Strongylodesma algoaensis|Salvia miltiorrhiza|Parameria laevigata|Pisolithus tinctorius|soybeans|Achillea pseudopectinata|Asterias rathbuni|Baccharoides anthelmintica|Pinus koraiensis|Dalbergia frutescens|Ginkgo biloba|Ascochyta viciae |
Path=BCL2 pathway|CASP3 pathway|ER alpha pathway|PPARA pathway|PTK activity|Gen=EGFR,Topoisomerase|Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Epidermal growth factor receptor erbB1 - Homo sapiens | UDP-glucuronosyltransferase 1-9 - Homo sapiens | Estrogen receptor beta - Homo sapiens | Cholinesterase - Equus caballus | Protein kinase C alpha - Homo sapiens | Xanthine dehydrogenase - Homo sapiens | Canalicular multispecific organic anion transporter 1 - Homo sapiens | Maltase-glucoamylase - Homo sapiens | Serotonin 2a (5-HT2a) receptor - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Human immunodeficiency virus type 1 integrase - Human immunodeficiency virus 1 | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Microtubule-associated protein tau - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Adenosine A1 receptor - Homo sapiens | Androgen Receptor - Homo sapiens | Sialidase - Clostridium perfringens | Cytochrome P450 19A1 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Pyruvate kinase - Leishmania mexicana | ATPase family AAA domain-containing protein 5 - Homo sapiens | Neuraminidase - Influenza A virus | Dopamine transporter - Homo sapiens | Serotonin 2c (5-HT2c) receptor - Homo sapiens | Estradiol 17-beta-dehydrogenase 2 - Homo sapiens | Multidrug resistance-associated protein 1 - Homo sapiens | Thrombopoietin - Homo sapiens | Prelamin-A/C - Homo sapiens | DNA topoisomerase II alpha - Homo sapiens | Peripheral myelin protein 22 - Homo sapiens | Estradiol 17-beta-dehydrogenase 1 - Homo sapiens | Adenosine A2a receptor - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Cytochrome P450 2C19 - Homo sapiens | Neuraminidase - Influenza A virus (A/Puerto Rico/8/1934(H1N1)) | Aldose reductase - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Quinone oxidoreductase - Mus musculus | LXR-beta - Homo sapiens | Survival motor neuron protein - Homo sapiens | Salivary alpha-amylase - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Cellular tumor antigen p53 - Homo sapiens | Monoamine oxidase A - Homo sapiens | Ornithine decarboxylase - Homo sapiens | P-glycoprotein 1 - Homo sapiens | Peroxisome proliferator-activated receptor gamma - Homo sapiens | Tyrosine-protein kinase YES - Homo sapiens | LXR-alpha - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Aldehyde oxidase - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Geminin - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Adenosine A2a receptor - Rattus norvegicus | Sialidase 2 - Homo sapiens | Tyrosine-protein kinase SYK - Homo sapiens | Ras-related protein Rab-9A - Homo sapiens | Testis-specific androgen-binding protein - Homo sapiens | Cystic fibrosis transmembrane conductance regulator - Rattus norvegicus | Cruzipain - Trypanosoma cruzi | Niemann-Pick C1 protein - Homo sapiens | Aldose reductase - Rattus norvegicus | 78 kDa glucose-regulated protein - Homo sapiens | Adenosine A1 receptor - Rattus norvegicus | Tyrosinase - Mus musculus | Cytochrome P450 1A2 - Homo sapiens | Hypoxia-inducible factor 1 alpha - Homo sapiens | Flap endonuclease 1 - Homo sapiens | M-phase phosphoprotein 8 - Homo sapiens | Sphingomyelin phosphodiesterase - Homo sapiens | Voltage-gated L-type calcium channel alpha-1C subunit - Rattus norvegicus | Tyrosine-protein kinase FYN - Homo sapiens | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Tyrosine-protein kinase BMX - Homo sapiens | ATP-binding cassette sub-family G member 2 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Fatty acid synthase - Plasmodium falciparum | Serine/threonine-protein kinase AKT - Homo sapiens | Serine/threonine-protein kinase PIM1 - Homo sapiens | Tyrosine-protein kinase SRC - Homo sapiens | Thromboxane-A synthase - Homo sapiens | Cyclooxygenase-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Androgen Receptor - Rattus norvegicus | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | DNA polymerase beta - Homo sapiens | Arachidonate 15-lipoxygenase - Oryctolagus cuniculus | Protein kinase Pfmrk - Plasmodium falciparum | Death-associated protein kinase 1 - Homo sapiens |Org= Rattus norvegicus | Callosobruchus chinensis | Tribolium castaneum | Rhyzopertha dominica | Sitophilus oryzae | Achaea janata | Plasmodium falciparum | Human immunodeficiency virus 1 | Hepatitis C virus | Cavia porcellus | Saccharomyces cerevisiae | Escherichia coli | Trypanosoma brucei brucei | Giardia intestinalis | Plasmodium berghei | Leishmania donovani |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Breast Carcinoma|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Gen=Protein Tyrosine Kinase |
3D viewer |
Pubchem |
3KGU 3KGT 1QKM 1X7J |
5280961 |
446-72-0 |
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O |
|
270.24000 |
C15H10O5 |
2.14 |
2 |
3 |
87.00 |
1.0 |
20 |
3 |
Genistein, a phytoestrogen found in soy products, is a highly specific inhibitor of protein tyrosine kinase (PTK) which blocks the mitogenic effect mediated by EGF on NIH-3T3 cells with IC50 of 12?M or by insulin with IC50 of 19 ?M. |
N/A |
| (E)-Cardamoni |
bioactive compound |
Polygonum limbatum|Amomum subulatum|Boesenbergia pandurata|Matsucoccus josephi|Podocarpus macrophyllus|Lactarius mitissimus|Alpinia speciosa|Bethencourtia palmensis|Lemonia spectabilis|Alpinia katsumadai hayat|Alpinia katsumadai|Esox lucius|Kaempferia pandurata|Etlingera elatior|Salix rosmarinifolia|Mentzelia decapetala|Petunia axillaris subsp. parodii|Xylopia emarginata|Salvia patens|Sphaeria rousseliana|Pulsatilla chinensis|Parmotrema nilgherrense|Lepechinia urbanii|Nepytia freemani|Helleborus macranthus|Erythrina hypaphorus|Centaurea scoparia|Mucuna holtonii|Drymaria cordata|Aniba santalodora|Cynoglossum macrostylum|Euphorbia hylonoma|Quercus marilandica|Lonchocarpus chiricanus|Dialium excelsum|Salvia virgata|Hardenbergia violacea|Boswellia ovalifoliolata|Etmopterus spinax|Iris kashmiriana|Maclura cochinchinensis|Rubia akane|Dysidea fragilis|Pterocaulon serrulatum|Thalassiosira weissflogii|Podocarpus dacrydioides|Beilschmiedia madang|Campanula choziatowskyi|Salvia lavanduloides|Colchicum filifolium|Orgyia pseudotsugata|Matricaria sabulosa|Astragalus circassicus|Preussia terricola|Amorphophallus konjac|Centaurea sonchifolia|Senecio platyphylloides|Mimosa pigra|Heliotropium scabrum|Gaillardia coahuilensis |
Path=BCL2 pathway|TNFRSF10C pathway|XIAP pathway|TNFRSF10A pathway|TNFRSF10B pathway|TNFSF10 pathway|Gen=NF-?B,Calcium Channel|Gen=NF-?B,Calcium Channel|Neuropeptide S receptor - Homo sapiens | DNA polymerase iota - Homo sapiens | Geminin - Homo sapiens | Ataxin-2 - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Microtubule-associated protein tau - Homo sapiens | Protease - Human immunodeficiency virus 1 | Dengue virus type 2 NS3 protein - Dengue virus type 2 (strain Thailand/16681/1984) (DENV-2) | Lysine-specific demethylase 4A - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | Voltage-gated potassium channel subunit Kv1.3 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus |Org= Plasmodium falciparum |
Dis=Acute Myeloid Leukemia|Acute Monocytic Leukemia |Colorectal Cancer|Colorectal Adenocarcinoma|Gen=NF-?B |
3D viewer |
Pubchem |
|
641785 |
19309-14-9 |
COC1=CC(=CC(=C1C(=O)C=CC2=CC=CC=C2)O)O |
|
270.28000 |
C16H14O4 |
3.201 |
2 |
2 |
66.80 |
4.0 |
20 |
2 |
Cardamonin is a naturally occurring chalcone with strong anti-inflammatory activity. It is a novel TRPA1 antagonist with IC50 of 454 nM and also a NF-kB inhibitor. |
Alpinetin chalcone, cardamomin |
| Didemnin B |
natural product |
Didemnum cucliferum|Trididemnum solidum| |
Org=Mus musculus | Agrobacterium tumefaciens | Oryctolagus cuniculus | Human herpesvirus 2 | Rift Valley fever virus |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Colorectal Cancer|Colorectal Adenocarcinoma|Melanoma|malignant melanoma|NCI-60 panel|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Org=Mus musculus | Agrobacterium tumefaciens | Oryctolagus cuniculus | Human herpesvirus 2 | Rift Valley fever virus |
3D viewer |
Pubchem |
5LZS |
13895197 |
No Cas |
CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C3CCCN3C(=O)C(C)O)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O |
KYHUYMLIVQFXRI-XYUQHQMCSA-N |
1111.64000 |
C57H89N7O15 |
-4.0255 |
21 |
5 |
298.37 |
36.0 |
79 |
4 |
A phase II trial of didemnin B (NSC No. 325319) in advanced and recurrent cervical carcinoma: a Gynecologic Oncology Group study.|A specific binding site in Nb2 node lymphoma cells mediates the effects of didemnin B, an immunosuppressive cyclic peptide.|Phase II evaluation of didemnin B in advanced adenocarcinoma of the kidney. A Southwest Oncology Group study.|Evaluation of natural products as inhibitors of human immunodeficiency virus type 1 (HIV-1) reverse transcriptase.|A phase I clinical trial of didemnin B.|Didemnin B: a new immunosuppressive cyclic peptide with potent activity in vitro and in vivo. |
|
| Sophoridine |
bioactive compound |
Sophora flavescens|Planchonia grandis|Plathymenia reticulata|Syzygium polycephaloides|Pteridium esculentum|Abelia chinensis|Siphonaria capensis|Lycogala epidendrum|Sophorae tonkinensis radix et rhizome|Lemaireocereus longispinus|Embelia schimperi|Cordia leucocephala|Sophorae flavescentis radix|Latrunculia magnifica|Eria anomala|Sophora tonkinensis|Asimina parviflora|Erythrina melanacantha|Hypericum styphelioides|Myxococcus stipitatus|Theonella conica|Morella rubra|Faramea salicifolia|Chondrodendron tomentosum|Conus mus|Vellozia nanuzae|Monsonia senegalensis|Piper regnellii|Pancratium sickenbergeri|Onopordum acanthium|Rhinella marina|Helichrysum tenuifolium|Clerodendrum bungei|Embelia parviflora|Esenbeckia leiocarpa|Shigella dysenteriae|Simarouba glauca|Diospyros assimilis|Baccharis neglecta|Gymnocalycium schickendantzii|Centaurea maculosa|Lythrum salicaria|Tricholoma columbetta|Vernonia fagifolia|Dendronephthya griffini|Aplophyllum alberti-regelii|Haplophyllum obtusifolium|Euphorbia nematocypha|Dolabella californica|Erysimum leptophyllum|Epilobium hirsutum|Ephedra sinica|Sophora alopecuroides| |
Path=EIF4E pathway|N/A|MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|CASP3 pathway|FAS pathway|FASLG pathway|Gen=Others|Gen=Opioid Receptor|Org=Hepatitis B virus|Histone acetyltransferase GCN5 - Homo sapiens |Org= Plasmodium falciparum|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus |Org= Hepatitis B virus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioma|Chronic Myelogenous Leukemia|Esophageal and Esophagogastric Junction Cancers|Esophageal squamous cell carcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
165549 |
6882-68-4 |
C1CC2C3CCCN4C3C(CCC4)CN2C(=O)C1 |
|
248.36000 |
C15H24N2O |
1.417 |
1 |
0 |
23.60 |
0.0 |
18 |
4 |
Sophoridine, a natural product obtained from medicinal plants, has a variety of pharmacological effects, including anti-cancer and anti-arrhythmia, and affects the immune and central nervous systems. |
5-Epidihydrosophocarpine, Dihydro-5-episophocarpine |
| Astragaloside IV |
bioactive compound |
Astragalus membranaceus|Penicillium glabrum|Xestospongia deweerdtae|Stachys bombycina|Darlingia ferruginea|Hunteria congolana|Astragalus mongholicus|Hedysarum polybotrys|Usnea pectinata |
Gen=Others|Gen=Calcium Channel|Org=Hepatitis B virus | Duck hepatitis B virus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-Hodgkin's Lymphomas|Chronic Lymphocytic Leukemia|Gen=Others |
3D viewer |
Pubchem |
|
13943297 |
84687-43-4 |
CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(CO8)O)O)O)C |
|
784.97000 |
C41H68O14 |
-0.348 |
5 |
8 |
228.00 |
7.0 |
55 |
8 |
Astragaloside IV is a bioactive saponin first isolated from the dried plant roots of the genus Astragalus, which is used in traditional Chinese medicine. It has various effect on the cardiovascular, immune, digestive, and nervous systems. |
AST-IV, AS-IV |
| Ursonic acid |
bioactive compound |
Myrica rubra|Ficus microcarpa|Strophanthus sarmentosus var. senegambiae|Daphne aurantiaca| |
Gen=Others|Protease - Human immunodeficiency virus 1 | Cytochrome P450 19A1 - Homo sapiens | Glycogen phosphorylase, muscle form - Oryctolagus cuniculus | Cathepsin D - Homo sapiens |Org= Aspergillus niger | Human herpesvirus 1 | Escherichia coli | Pseudomonas fluorescens | Human herpesvirus 2 |
Dis=Acute Myeloid Leukemia|Basophilic Leukemia|Cervical Cancer|Cervical Carcinoma Papilloma |Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|Nasopharyngeal carcinoma|Gen=Others |
3D viewer |
Pubchem |
1N4F |
9890209 |
6246-46-4 |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1C)C)C(=O)O |
|
454.68000 |
C30H46O3 |
6.593 |
2 |
0 |
54.40 |
1.0 |
33 |
5 |
Ursonic acid, present in many plants, is a pentacyclic triterpenoid that can be used as a cosmetics additive and serve as a starting material for synthesis of more potent bioactive derivatives, such as experimental antitumor agents. |
Prunol, Malol, beta-Ursolic acid, NSC4060, CCRIS 7123, TOS-BB-0966, 3-beta-hydroxyurs-12-en-28-oic acid |
| Lasiokaurin |
natural product |
Isodon rubescens|Isodon adenolomus|Isodon japonicus|Isodon rosthornii |
Org=Mycobacterium phlei | Mycobacterium smegmatis | Mycobacterium marinum |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Org=Mycobacterium phlei | Mycobacterium smegmatis | Mycobacterium marinum |
3D viewer |
Pubchem |
|
73348360 |
No Cas |
CC(=O)OC1CCC(C2C13COC(C2O)(C45C3CCC(C4O)C(=C)C5=O)O)(C)C |
DJQLJZNVICMJRV-VPKUEDJQSA-N |
406.20000 |
C22H30O7 |
-1.5954 |
7 |
3 |
113.29 |
8.0 |
29 |
3 |
Structure and cytotoxicity of diterpenoids from Isodon adenolomus.|Bioactive ent-kaurane diterpenoids from Isodon rosthornii.|Design, synthesis and antimycobacterial activity evaluation of natural oridonin derivatives.|Isolation and purification of diterpenoids from the aerial parts of Isodon excisoides target-guided by UPLC-LTQ-Orbitrap-MS. |
|
| (-)-Epicatechin gallate |
bioactive compound |
Diospyros kaki|Prunus persica|Rheum officinale|Rheum palmatum|Rheum tanguticum|Camellia sinensis|Crataegus pinnatifida|Cynomorium songaricum|Nelumbo nucifera|Balanophora involucrata|Drechslera avenae|Peltostigma guatemalense|Cerinthe minor| |
Path=ODC1 pathway|Apoptosis regulator Bcl-2 - Homo sapiens |Org= Plasmodium falciparum (isolate FcB1 / Columbia)|3-oxoacyl-acyl-carrier protein reductase - Plasmodium falciparum | 6-phosphogluconate dehydrogenase - Homo sapiens | Glucose-6-phosphate 1-dehydrogenase - Saccharomyces cerevisiae S288c | Fatty acid synthase - Plasmodium falciparum | Enoyl-acyl-carrier protein reductase - Plasmodium falciparum | Beta-secretase 1 - Homo sapiens |Org= Plasmodium falciparum|Dihydrofolate reductase - Homo sapiens | 3-oxoacyl-acyl-carrier protein reductase - Plasmodium falciparum | Enoyl-[acyl-carrier-protein] reductase - Escherichia coli K-12 | MAP kinase p38 alpha - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Apoptosis regulator Bcl-2 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Death-associated protein kinase 1 - Homo sapiens | Fatty acid synthase - Gallus gallus | Human immunodeficiency virus type 1 reverse transcriptase - Human immunodeficiency virus 1 | Serum albumin - Homo sapiens |Org= Staphylococcus aureus | Plasmodium falciparum | Neofusicoccum luteum | Diplodia seriata | Human immunodeficiency virus 1 |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Gen=Others |
3D viewer |
Pubchem |
6DHL |
107905 |
1257-08-5 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
|
442.37000 |
C22H18O10 |
3.339 |
3 |
7 |
177.00 |
4.0 |
32 |
4 |
Epigallocatechin gallate (EGCG), also known as epigallocatechin-3-gallate, is the ester of epigallocatechin and gallic acid, and is a type of catechin with anti-inflammatory effects. |
(?)-ECG, (?)-Epicatechin 3-gallate, (?)-Epicatechin-3-O-gallate |
| Liquiritigenin |
bioactive compound |
Platymiscium floribundum|Sargassum pallidum|Glycyrrhiza inflata|Dalbergia odorifera|Sophora flavescens|Epimedium koreanum|Spatholobus suberectus|Glycyrrhiza glabra|Robinia pseudoacacia|Glycyrrhiza uralensis|Cicer arietinum |
Gen=Estrogen/progestogen Receptor |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Colorectal Cancer|ileocecal colorectal adenocarcinoma |Melanoma|Murine Melanoma|Gen=Endocrinology & Hormones |
3D viewer |
Pubchem |
1FM7 1JX1 1JX0 |
114829 |
578-86-9 |
C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O |
|
256.25000 |
C15H12O4 |
2.615 |
2 |
2 |
66.80 |
1.0 |
19 |
3 |
Liquiritigenin, the most active estrogenic compound from the root of Glycyrrhizae uralensis Fisch, selectively binds to ER? with an IC50 value of 7.5 ?M and activates multiple ER regulatory elements and native target genes with Er? but not ER?. |
4',7-Dihydroxyflavanone |
| Cardamonin |
bioactive compound |
Polygonum limbatum|Amomum subulatum|Boesenbergia pandurata|Matsucoccus josephi|Podocarpus macrophyllus|Lactarius mitissimus|Alpinia speciosa|Bethencourtia palmensis|Lemonia spectabilis|Alpinia katsumadai hayat|Alpinia katsumadai|Esox lucius|Kaempferia pandurata|Etlingera elatior|Salix rosmarinifolia|Mentzelia decapetala|Petunia axillaris subsp. parodii|Xylopia emarginata|Salvia patens|Sphaeria rousseliana|Pulsatilla chinensis|Parmotrema nilgherrense|Lepechinia urbanii|Nepytia freemani|Helleborus macranthus|Erythrina hypaphorus|Centaurea scoparia|Mucuna holtonii|Drymaria cordata|Aniba santalodora|Cynoglossum macrostylum|Euphorbia hylonoma|Quercus marilandica|Lonchocarpus chiricanus|Dialium excelsum|Salvia virgata|Hardenbergia violacea|Boswellia ovalifoliolata|Etmopterus spinax|Iris kashmiriana|Maclura cochinchinensis|Rubia akane|Dysidea fragilis|Pterocaulon serrulatum|Thalassiosira weissflogii|Podocarpus dacrydioides|Beilschmiedia madang|Campanula choziatowskyi|Salvia lavanduloides|Colchicum filifolium|Orgyia pseudotsugata|Matricaria sabulosa|Astragalus circassicus|Preussia terricola|Amorphophallus konjac|Centaurea sonchifolia|Senecio platyphylloides|Mimosa pigra|Heliotropium scabrum|Gaillardia coahuilensis |
Path=BCL2 pathway|TNFRSF10C pathway|XIAP pathway|TNFRSF10A pathway|TNFRSF10B pathway|TNFSF10 pathway|Gen=Calcium Channel|Gen=NF-?B,Calcium Channel|Neuropeptide S receptor - Homo sapiens | DNA polymerase iota - Homo sapiens | Geminin - Homo sapiens | Ataxin-2 - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Microtubule-associated protein tau - Homo sapiens | Protease - Human immunodeficiency virus 1 | Dengue virus type 2 NS3 protein - Dengue virus type 2 (strain Thailand/16681/1984) (DENV-2) | Lysine-specific demethylase 4A - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | Voltage-gated potassium channel subunit Kv1.3 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus |Org= Plasmodium falciparum |
Dis=Acute Myeloid Leukemia|Acute Monocytic Leukemia |Colorectal Cancer|Colorectal Adenocarcinoma|Gen=Transmembrane Transporters |
3D viewer |
Pubchem |
|
641785 |
18956-16-6 |
COC1=CC(=CC(=C1C(=O)C=CC2=CC=CC=C2)O)O |
|
270.28000 |
C16H14O4 |
3.201 |
2 |
2 |
66.80 |
4.0 |
20 |
2 |
Cardamonin, isolated from the fruits of Alpinia species, is a chalconoid with anti-inflammatory and anti-tumor activity. It has been shown to be a novel antagonist of hTRPA1 cation channel with IC50 of 454 nM while does not interact with TRPV1 nor TRPV4 channel. |
Alpinetin chalcone |
| Caryophyllene oxide |
bioactive compound |
Satureja hortensis|Satureja montana|Pogostemon cablin|Citrus aurantium|Schizonepeta tenuifolia|Citrus maxima|Radix salviae|Schizonepeta tenuisfolia|Citrus reticulata|Acorus calamus|Scutellaria barbata|Citrus unshiu|Agastache rugosa|Thymus quinquecostatus|Curcuma kwangsiensis|Agrimonia pilosa|Thymus vulgaris|Curcuma longa|Akebia quinata|Valeriana jatamansi|Curcuma phaeocaulis|Akebia trifoliata|Vitex negundo|Curcuma wenyujin|Alpinia oxyphylla|Dolomiaea souliei|Curcuma zedoaria|Angelica acutiloba|Zanthoxylum bungeanum|Vincetoxicum glaucescens|Hypericum perforatum|Angelica gigas|Zanthoxylum piperitum|Cynanchum stauntoni|Illicium verum|Angelica sinensis|Zanthoxylum schinifolium|Vincetoxicum stauntonii|Cyperus rotundus|Inula helenium|Aquilaria agallochum|Zingiber officinale|Daucus carota|Laggera pterodonta|Aquilaria sinensis|Ziziphus jujuba|Elsholtzia ciliata|Leonurus japonicus|Arnebia euchroma|Syzygium aromaticum|Lithospermum erythrorhizon|Arnebia guttata|Foeniculum vulgare|Litsea cubeba|Artemisia annua|Glehnia littoralis|Lobelia chinensis|Artemisia apiacea|Artemisia argyi|Houttuynia cordata|Lonicera japonica|Artemisia capillaris|Humulus lupulus|Magnolia obovata|Artemisia montana|Magnolia officinalis|Artemisia princeps|Melia azedarach|Atractylodes chinensis|Melia azedarach var. toosendan|Mentha arvensis|Atractylodes lancea|Mentha canadensis|Atractylodes macrocephala|Mosla chinensis|Saussurea costus|Murraya exotica|Bupleurum chinense|Murraya paniculata|Bupleurum falcatum|Perilla frutescens|Bupleurum scorzonerifolium|Pinellia ternata|Senna alexandrina|Piper cubeba|Chrysanthemum indicum|Piper nigrum|Ginkgo biloba|Afrocarpus gracilior| |
Gen=Others|Cytochrome P450 2C19 - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens|Cruzipain - Trypanosoma cruzi|Org=Giardia intestinalis | Entamoeba histolytica |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Gen=Others |
3D viewer |
Pubchem |
|
1742210 |
1139-30-6 |
CC1(CC2C1CCC3(C(O3)CCC2=C)C)C |
|
220.35000 |
C15H24O |
3.519 |
1 |
0 |
12.50 |
0.0 |
16 |
3 |
Caryophyllene oxide, an oxygenated terpenoid existed in many plant essential oil, is well known as preservative in food, drugs and cosmetics with anti-inflammatory, anti-carcinogenic and skin penetration enhancing properties. |
N/A |
| [(1S,3R)-1-[(2R)-3,3-Dimethyloxiran-2-Yl]-3-[(8S,10S,11S,14R)-11-Hydroxy-4,4,8,10,14-Pentamethyl-3-Oxo-1,2,5,6,7,9,11,12,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl]Butyl] Acetate |
natural product |
Alismatis rhizoma |
Path=ABCB5 pathway|BAX pathway|CASP3 pathway|CASP8 pathway|CASP9 pathway|Org=Mus musculus |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|Org=Mus musculus |
3D viewer |
Pubchem |
|
44335378 |
No Cas |
CC(CC(C1C(O1)(C)C)OC(=O)C)C2=C3CC(C4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)O |
NLOAQXKIIGTTRE-CPQDFQMASA-N |
514.37000 |
C32H50O5 |
2.0205 |
5 |
1 |
76.13 |
16.0 |
37 |
5 |
|
|
| [(5S,6As,7R,8R,10S,10As)-1,3-Diacetyloxy-10-Hydroxy-7,8-Dimethyl-7-[(2E)-3-Methylpenta-2,4-Dienyl]-1,3,5,6,6A,8,9,10-Octahydrobenzo[D][2]Benzofuran-5-Yl] 2-Methylbutanoate |
natural product |
Casearia rupestris|Casearia sylvestris|Casearia membranacea|Laetia procera |
Org=Plasmodium falciparum | Leishmania amazonensis |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|ileocecal colorectal adenocarcinoma |Non-small Cell Lung Cancer|Lung Adenocarcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Prostate Cancer|Prostate Adenocarcinoma|Org=Plasmodium falciparum | Leishmania amazonensis |
3D viewer |
Pubchem |
|
44404746 |
No Cas |
CCC(C)C(=O)OC1CC2C(C(CC(C23C(OC(C3=C1)OC(=O)C)OC(=O)C)O)C)(C)CC=C(C)C=C |
FGGPIWICAGRSLN-FBIWMMQLSA-N |
518.29000 |
C29H42O8 |
1.985 |
8 |
1 |
108.36 |
19.0 |
37 |
3 |
|
|
| n.a. |
natural product |
Croton insularis|Croton zambesicus |
Org=Mycobacterium tuberculosis |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|Cervical Cancer|Cervical Adenocarcinoma|Org=Mycobacterium tuberculosis |
3D viewer |
Pubchem |
|
44566738 |
No Cas |
CC1(C2CCC34CC5C(C5(C3)C)CC4C2(CCC1=O)C)C |
DVXUPVLGDAAEFK-WBKRPPKXSA-N |
286.23000 |
C20H30O |
1.7496 |
1 |
0 |
17.07 |
4.0 |
21 |
4 |
|Structure and anti-TB activity of trachylobanes from the liverwort Jungermannia exsertifolia ssp. cordifolia. |
|
| Palauolol |
natural product |
Thorectandra spp|thorectandra sp. |
|
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Kidney Cancer|Renal Cell Adenocarcinoma|Melanoma|malignant melanoma|Non-small Cell Lung Cancer|large cell carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |
3D viewer |
Pubchem |
|
44584726 |
No Cas |
CC1CCC2(C(C1(C)CCC(=CCC(C3=CC(=O)OC3O)O)C)CCCC2=C)C |
BSFHWMNYTJRBTJ-MYNQIBPASA-N |
402.28000 |
C25H38O4 |
1.937 |
4 |
2 |
66.76 |
12.0 |
29 |
3 |
|
|
| Praelolide |
natural product |
Junceella fragilis|Dichotella gemmacea |
Org=Microbotryum violaceum | Xanthomonas campestris | Escherichia coli |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Central Nervous System Cancers|Neruoblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Melanoma|malignant melanoma|Org=Microbotryum violaceum | Xanthomonas campestris | Escherichia coli |
3D viewer |
Pubchem |
|
14264086 |
No Cas |
CC1C(=O)OC2C13C(C4C(C(CCC45CO5)OC(=O)C)(C(C(C(O3)C(=C)C2Cl)OC(=O)C)OC(=O)C)C)OC(=O)C |
VPXKDKFGKRSWEO-JBTNVLFLSA-N |
598.18000 |
C28H35ClO12 |
0.1214 |
12 |
0 |
153.26 |
15.0 |
41 |
5 |
|Absolute structures of new briarane diterpenoids from junceella fragilis.|Briarane derivatives from the gorgonian coral Junceella fragilis.|New briaranes from the South China Sea gorgonian Junceella juncea.|Bioactive briarane diterpenoids from the South China Sea gorgonian Dichotella gemmacea.|Fragilides K and L, New Briaranes from the Gorgonian Coral Junceella fragilis. |
|
| Wogonin |
bioactive compound |
Scutellaria baicalensis|Bupleurum scorzonerifolium|Medicosma cunninghamii|Physalis minima|Scutellariae barbatae herba|Scutellaria barbata|Phellodendri amurensis cortex|Anodendron affine|Scutellaria epilobifolia|Dictamni cortex|Arachis hypogaea|Scutellaria viscidula|Forsythiae fructus|Scutellariae radix|Plantago major|Andrographis herba|Scutellaria hypericifolia|Oroxyli semen|Senecio speciosus|Atractylodes lancea|Achyranthis bidentatae radix|Prunus persica|Phellodendron chinense|Astragalus membranaceus|Vincetoxicum amplexicaule|Scutellaria rehderiana|Astragalus mongholicus|Coptis chinensis|Scutellaria lateriflora|Oroxylum indicum|Coptis deltoidea|Coptis japonica|Dioscorea tokoro|Bupleurum chinense|Coptis teeta|Crambe hispanica subsp. abyssinica|Scutellaria balcalensis|Dictamnus dasycarpus|Utricularia vulgaris|Andrographis paniculata|Eucommia ulmoides|Uvaria acuminata|Scutellaria likiangensis|Gardenia jasminoides|Helichrysum lindleyi|Saposhnikovia divaricata|Caesalpinia tinctoria|Cusparia macrocarpa|Eunicea knighti|Andropogon jwarancusa|Chromodoris hamiltoni|Sophora japonica|Anthemis auriculata|Clathrotropis brachypetala|Parinari campestris|Petrosimonia monandra|Undaria pinnatifida|Euphorbia sapinii|Stellaria dichotoma|Stellaria dichotoma var. lanceolata|Scutellaria amoena|Stizophyllum riparium|Dalbergia nigra|Kopsia hainanensis|Kalmia latifolia |
Path=ABCB5 pathway|AR pathway|Gen=CDK,Transferase|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus | Chromobox protein homolog 1 - Homo sapiens | Cyclooxygenase-2 - Mus musculus | Mothers against decapentaplegic homolog 3 - Homo sapiens | Rap guanine nucleotide exchange factor 3 - Homo sapiens | Geminin - Homo sapiens | Xanthine dehydrogenase - Bos taurus | Beta-2 adrenergic receptor - Homo sapiens | Serotonin 7 (5-HT7) receptor - Homo sapiens | Glutaminase kidney isoform, mitochondrial - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Avian myoblastosis virus polyprotein II - Avian myeloblastosis virus | 6-phospho-1-fructokinase - Trypanosoma brucei | Nitric oxide synthase, inducible - Mus musculus | Cyclooxygenase-2 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens |Org= Spodoptera litura | Hepatitis B virus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Lung Epithelial Carcinoma|Squamous Celll Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|Gen=Cell Cycle |
3D viewer |
Pubchem |
6F6A |
5281703 |
632-85-9 |
COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O |
|
284.26000 |
C16H12O5 |
2.636 |
3 |
2 |
76.00 |
2.0 |
21 |
3 |
Wogonin, a natural and biologically-active flavonoid found in plants, is an inhibitor of CDK9 and does not inhibit CDK2, CDK4 and CDK6 at doses that inhibit CDK9 activity Also inhibits N-acetyltransferase. |
Vogonin |
| p-Coumaric Acid |
bioactive compound |
Plantago major|Rhodiola sachalinensis|Ranunculus ternatus|Aristolochia debilis|Cremastra appendiculata|Lycium barbarum|Rhododendron dauricum|Carthamus tinctorius|Eucommia ulmoides|Imperata cylindrica|Citrus reticulata|Toxicodendron vernicifluum|Centella asiatica|Ginkgo biloba|Fagopyrum dibotrys|Rosa chinensis|Chelidonium majus|Hippophae rhamnoides|Taraxacum mongolicum|Rosa rugosa|Cirsium japonicum|Inula britannica|Boehmeria nivea|Rubus chingii|Citrus aurantium|Inula japonica|Juglans regia|Notopterygium incisum|Rubus coreanus|Lilium brownii|Polygonum orientale|Rumex chalepensis|Citrus unshiu|Lilium lancifolium|Phragmites communis|Rumex japonicus|Commelina communis|Lilium pumilum|Oryza sativa|Schisandra chinensis|Cornus officinalis|Linum usitatissimum|Arum ternatum thunb|Scrophularia buergeriana|Lonicera japonica|Lycii fructus|Scrophularia ningpoensis|Luffa aegyptiaca|Selaginella doederleinii hieron|Scutellaria barbata|Hedysarum multijugum maxim|Senecio scandens|Lycium chinense|Notopterygii rhizoma et radix|Solanum nigrum|Melia azedarach|Rhizoma fagopyri cymosi|Sparganium stoloniferum|Melia azedarach var. toosendan|Broussonetiae fructus|Styrax benzoin|Morus alba|Curcumae radix|Styrax tonkinensis|Morus bombycis|Eucommiae cortex|Nardostachys jatamansi|Persicae semen|Nelumbo nucifera|Taraxacum borealisinense|Flos genkwa|Oldenlandia diffusa|Taraxacum coreanum|Eleutherococcus senticosus|Ipomoea nil|Aconitum carmichaelii|Ipomoea purpurea|Taraxacum officinale|Aconitum japonicum|dracocephalum ruyschiana|Pleione bulbocodioides|Taraxacum platycarpum|Albizia julibrissin|Epimedium sagittatum|Pleione yunnanensis|Thymus quinquecostatus|Allium sativum|Coix lacryma-jobi|Polygonum cuspidatum|Thymus vulgaris|Aloe africana|Vigna angularis|Aloe vera|Rhodiola rosea|Fallopia multiflora|Vigna umbellata|Aloe ferox|Persicaria orientalis|Vigna umbeuata|Aloe spicata|Prunella vulgaris|Portulaca oleracea|Ziziphus jujuba|Alcea rosea|Aristolochia contorta|Phyllostachys nigra|Punica granatum |
Gen=Anti-infection |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Melanoma|Murine Melanoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Gen=Microbiology |
3D viewer |
Pubchem |
KQ2 4E1U 1Y6S 1IHH |
637542 |
501-98-4 |
C1=CC(=CC=C1C=CC(=O)O)O |
|
164.16000 |
C9H8O3 |
1.685 |
1 |
1 |
57.50 |
2.0 |
12 |
1 |
p-Coumaric acid is a hydroxy derivative of cinnamic acid found in a variety of edible plants and is reported to have antioxidant, anti-inflammatory, and antimicrobial activity. |
4-Hydroxycinnamic acid, P-Hydroxycinnamic acid, 4-Coumaric acid, Trans-p-Coumaric acid, para-Coumaric Acid |
| n.a. |
natural product |
Sansevieria ehrenbergii |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|large cell carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|prostate Carcinoma |
3D viewer |
Pubchem |
|
44575743 |
No Cas |
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(CO8)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1 |
HSOMTBUZSIVDQK-OJQSNVAUSA-N |
854.47000 |
C44H70O16 |
-3.9529 |
16 |
8 |
235.68 |
20.0 |
60 |
9 |
|
|
| Cesputularin E |
natural product |
Cespitularia hypotentaculata |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
10062665 |
No Cas |
CC1=CC(CC(=C)CCC2CCC=C(C2(C)C)C(=O)C1)O |
JWAJDLYSFBHBSW-ANCIEEHGSA-N |
288.21000 |
C19H28O2 |
2.4583 |
2 |
1 |
37.30 |
4.0 |
21 |
2 |
|
|
| Excisanin K |
natural product |
Rabdosia excisa|Isodon scoparius |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell |
3D viewer |
Pubchem |
|
45270538 |
No Cas |
CC1(CCC(C2(C1CCC34C2CCC(C3O)C(=C)C4=O)C)O)CO |
IOLAXGYDTVZNNV-UGKKBRBKSA-N |
334.21000 |
C20H30O4 |
-1.0117 |
4 |
3 |
77.76 |
6.0 |
24 |
4 |
|
|
| Lantadene B |
natural product |
Lantana camara |
Apoptosis regulator Bcl-X - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Carcinoma Papilloma |Colorectal Cancer|Colorectal Adenocarcinoma |
3D viewer |
Pubchem |
|
45269863 |
No Cas |
CC(=CC(=O)OC1CC(CC2C1(CCC3(C2=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C)C(=O)O)(C)C)C |
VYPAPFHUHDWCBI-CNSFRLJCSA-N |
552.38000 |
C35H52O5 |
3.9451 |
5 |
1 |
80.67 |
14.0 |
40 |
5 |
Cytotoxic pentacyclic triterpenoids from Combretum sundaicum and Lantana camara as inhibitors of Bcl-xL/BakBH3 domain peptide interaction.|Synthesis, selective cancer cytotoxicity and mechanistic studies of novel analogs of lantadenes. |
|
| Icterogenin |
natural product |
Lantana camara |
Path=BCL2L1 pathway |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Carcinoma Papilloma |Colorectal Cancer|Colorectal Adenocarcinoma|Non-Hodgkin's Lymphomas|lymphoma |
3D viewer |
Pubchem |
|
45268134 |
No Cas |
CC=C(C)C(=O)OC1CC(CC2C1(CCC3(C2=CCC4C3(CCC5C4(CCC(=O)C5(C)CO)C)C)C)C(=O)O)(C)C |
NZQARWYKOBSGNY-GGIHXLTRSA-N |
568.38000 |
C35H52O6 |
2.7586 |
6 |
2 |
100.90 |
15.0 |
41 |
5 |
Cytotoxic pentacyclic triterpenoids from Combretum sundaicum and Lantana camara as inhibitors of Bcl-xL/BakBH3 domain peptide interaction. |
|
| Irciniastatin |
natural product |
Ircinia ramosa |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|large cell carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|prostate Carcinoma |
3D viewer |
Pubchem |
|
44424682 |
No Cas |
CC1=C(C=C(C2=C1CC(OC2=O)C(C)C(CC3C(C(CC(O3)C(NC(=O)C(C(CC(=C)C)OC)O)OC)O)(C)C)O)O)O |
BNNIEBYABSNREN-FKNVEFDBSA-N |
609.31000 |
C31H47NO11 |
-1.222 |
10 |
6 |
187.73 |
25.0 |
43 |
3 |
|
|
| Taxumairol A |
natural product |
Taxus mairei|Taxus malrei |
|
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Cervical Cancer|Cervical Carcinoma Papilloma |Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma |
3D viewer |
Pubchem |
|
5321725 |
172670-12-1 |
CC1=C2C(C(C3(C(CC(C(C3C(C(C2(C)C)CC1OC(=O)C)O)(COC(=O)C4=CC=CC=C4)O)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C |
QEHCTLITMBBFGI-YIFMMSFHSA-N |
716.30000 |
C37H48O14 |
-0.4612 |
14 |
2 |
198.26 |
25.0 |
51 |
4 |
|
|
| Genistein |
natural product |
Pueraria thunbergiana|Pueraria radix|Pueraria mirifica|Dalbergia parviflora|Pueraria thomsonii|Cudrania tricuspidata|Pauridiantha callicarpoides|Coniochaeta saccardoi|Atroxima liberica|Lespedeza floribunda|Glycine max|Arum maximum|Streptomyces griseochromogenes|Tolypocladium album|Trogoderma granarium|aged korean fermented soybean paste|Glycyrrhiza glabra|Bergenia crassifolia|Euphrasia stricta|Astragalus spinosus|Streptomyces mirabilis|Glycyrrhiza inflata|Dalbergia obtusa|Rheum qinlingense|Palafoxia texana|Glycyrrhiza uralensis|Delphinium barbeyi|Papaver tatricum|Amaranthus spinosus|Dunalia solanacea|Lawsonia inermis|Dalbergia sissoo|Murraya exotica|Ips cembrae|Lippia integrifolia|Abies amabilis|Scolopia chinensis|Derris scandens|Murraya paniculata|Chelonaplysilla violacea|Piper dilatatum|Crotalaria orixensis|Heliotropium hirsutissimum|Calicotome villosa|Macadamia ternifolia|Peltogyne pubescens|Christisonia bicolor|[clostridium] cellulolyticum|Pueraria lobata|Prunus serrulata var. spontanea|Cullen corylifolium|Erysimum siliculosum|Pseudoceratina arabica|Citrus rugulosa|Albizia subdimidiata|Hyoscyamus pusillus|Andira inermis|Pueraria montana var. lobata|Astragalus bicuspis|Pterocarpus indicus|Allagopappus viscosissimus|Cistanche salsa|Nicotiana raimondii|Sanguisorba officinalis|Pueraria montana var. thomsonii|Zanthoxylum decaryi|Pleurotus japonicus|Lunularia cruciata|Flemingia macrophylla|Candida albicans|Teucrium betonicum|Sophora flavescens|Ranunculus peltatus|Justicia adhatoda|Homo sapiens|Setosphaeria holmii|Spatholobus suberectus|Desmodium styracifolium|Sophora japonica|Neomeris annulata|Conyza japonica|Coniophora puteana|Cistanches herba|Sisymbrium officinale|Sophora tonkinensis|Trollius europaeus|Lepidosperma ustulatum|Fomes fastuosus|Sojae semen praeparatum|Puerariae flos|Jamesoniella colorata|Streptomyces filamentosus|Trifolium pratense|Lecanora kukunorensis|Semiaquilegiae radix|Tenebrio obscurus|Vitex negundo|Cymodocea nodosa|Lupinus luteus|Aglaia australiensis|Hibiscus schizopetalus|Fructussophorae|Octopus vulgaris|Fumaria micrantha|Teucrium marum|Jacmaia incana|Piptanthus nepalensis|Davidsoniella virescens|Iridis tectori rhizoma|Pachychalina alcaloidifera|Dinophysis fortii|Stachys chrysantha|Atuna racemosa|Cordyceps sinensis|Maximowiczia sonorae|Radix puerariae|Camchaya loloana|Diplacus longiflorus|Styrax agrestis|Platytaenia lasiocarpa|Vepris nobilis|Belamcandae rhizome|Smilax bracteata|Chrysanthemum uliginosum|Eriocephalus punctulatus|Astragalus pycnanthus|Aspergillus albus|Kaempferia rotunda|Sojae semen nigrum|Chionodoxa gigantea|Pulsatilla campanella|Hydrangea serrata|Chamomilla recutita|Dendrobium candidum|Bonamia spectabilis|Sophorae tonkinensis radix et rhizome|Berlinia tomentosa|Garcinia oblongifolia|Amietophrynus regularis|Ophiopogon planiscapus|Eucommiae cortex|Tynanthus panurensis|Amorphinopsis foetida|Linum crispum|Melaleuca viminea|Pterodon emarginatus|Flos genkwa|Syzygium nervosum|Macrocentrus cingulum|Penstemon teucrioides|Xenia blumi|Ipomoea muricata|Streptomyces|Swertia decussata|Berberis floribunda|Rabdosia angustifolia|Tabebuia chrysantha|Trifolium resupinatum|Streptomyces roseolus nrrl b-5424|Inulanthera calva|Usnea canariensis|Panzeria canescens|Iyengaria stellata|Hapalosiphon delicatulus|Crassostrea virginica|Streptomyces globisporus 1912|Convallaria majalis|Crotalus atrox|Bertya dimerostigma|Pseudocinchona pachyceras|Streptomyces ans-127|Scutellaria sieberi|Munchausia speciosa|Rosulabryum capillare|Erycibe expansa|Petroselinum crispum|Piper wightii|Astragalus wiedemannianus|Tephrosia watsoniana|Ophiorrhiza kunstleri|phoma glomerata|Dalbergia odorifera|Licaria brasiliensis|Strongylodesma algoaensis|Salvia miltiorrhiza|Parameria laevigata|Pisolithus tinctorius|soybeans|Achillea pseudopectinata|Asterias rathbuni|Baccharoides anthelmintica|Pinus koraiensis|Dalbergia frutescens|Ginkgo biloba|Ascochyta viciae |
Path=BCL2 pathway|CASP3 pathway|ER alpha pathway|PPARA pathway|PTK activity|Gen=EGFR,Topoisomerase|Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Epidermal growth factor receptor erbB1 - Homo sapiens | UDP-glucuronosyltransferase 1-9 - Homo sapiens | Estrogen receptor beta - Homo sapiens | Cholinesterase - Equus caballus | Protein kinase C alpha - Homo sapiens | Xanthine dehydrogenase - Homo sapiens | Canalicular multispecific organic anion transporter 1 - Homo sapiens | Maltase-glucoamylase - Homo sapiens | Serotonin 2a (5-HT2a) receptor - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Human immunodeficiency virus type 1 integrase - Human immunodeficiency virus 1 | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Microtubule-associated protein tau - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Adenosine A1 receptor - Homo sapiens | Androgen Receptor - Homo sapiens | Sialidase - Clostridium perfringens | Cytochrome P450 19A1 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Pyruvate kinase - Leishmania mexicana | ATPase family AAA domain-containing protein 5 - Homo sapiens | Neuraminidase - Influenza A virus | Dopamine transporter - Homo sapiens | Serotonin 2c (5-HT2c) receptor - Homo sapiens | Estradiol 17-beta-dehydrogenase 2 - Homo sapiens | Multidrug resistance-associated protein 1 - Homo sapiens | Thrombopoietin - Homo sapiens | Prelamin-A/C - Homo sapiens | DNA topoisomerase II alpha - Homo sapiens | Peripheral myelin protein 22 - Homo sapiens | Estradiol 17-beta-dehydrogenase 1 - Homo sapiens | Adenosine A2a receptor - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Cytochrome P450 2C19 - Homo sapiens | Neuraminidase - Influenza A virus (A/Puerto Rico/8/1934(H1N1)) | Aldose reductase - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Quinone oxidoreductase - Mus musculus | LXR-beta - Homo sapiens | Survival motor neuron protein - Homo sapiens | Salivary alpha-amylase - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Cellular tumor antigen p53 - Homo sapiens | Monoamine oxidase A - Homo sapiens | Ornithine decarboxylase - Homo sapiens | P-glycoprotein 1 - Homo sapiens | Peroxisome proliferator-activated receptor gamma - Homo sapiens | Tyrosine-protein kinase YES - Homo sapiens | LXR-alpha - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Aldehyde oxidase - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Geminin - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Adenosine A2a receptor - Rattus norvegicus | Sialidase 2 - Homo sapiens | Tyrosine-protein kinase SYK - Homo sapiens | Ras-related protein Rab-9A - Homo sapiens | Testis-specific androgen-binding protein - Homo sapiens | Cystic fibrosis transmembrane conductance regulator - Rattus norvegicus | Cruzipain - Trypanosoma cruzi | Niemann-Pick C1 protein - Homo sapiens | Aldose reductase - Rattus norvegicus | 78 kDa glucose-regulated protein - Homo sapiens | Adenosine A1 receptor - Rattus norvegicus | Tyrosinase - Mus musculus | Cytochrome P450 1A2 - Homo sapiens | Hypoxia-inducible factor 1 alpha - Homo sapiens | Flap endonuclease 1 - Homo sapiens | M-phase phosphoprotein 8 - Homo sapiens | Sphingomyelin phosphodiesterase - Homo sapiens | Voltage-gated L-type calcium channel alpha-1C subunit - Rattus norvegicus | Tyrosine-protein kinase FYN - Homo sapiens | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Tyrosine-protein kinase BMX - Homo sapiens | ATP-binding cassette sub-family G member 2 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Fatty acid synthase - Plasmodium falciparum | Serine/threonine-protein kinase AKT - Homo sapiens | Serine/threonine-protein kinase PIM1 - Homo sapiens | Tyrosine-protein kinase SRC - Homo sapiens | Thromboxane-A synthase - Homo sapiens | Cyclooxygenase-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Androgen Receptor - Rattus norvegicus | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | DNA polymerase beta - Homo sapiens | Arachidonate 15-lipoxygenase - Oryctolagus cuniculus | Protein kinase Pfmrk - Plasmodium falciparum | Death-associated protein kinase 1 - Homo sapiens |Org= Rattus norvegicus | Callosobruchus chinensis | Tribolium castaneum | Rhyzopertha dominica | Sitophilus oryzae | Achaea janata | Plasmodium falciparum | Human immunodeficiency virus 1 | Hepatitis C virus | Cavia porcellus | Saccharomyces cerevisiae | Escherichia coli | Trypanosoma brucei brucei | Giardia intestinalis | Plasmodium berghei | Leishmania donovani |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Breast Carcinoma|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Gen=Protein Tyrosine Kinase |
3D viewer |
Pubchem |
3KGU 3KGT 1QKM 1X7J |
5280961 |
446-72-0 |
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O |
TZBJGXHYKVUXJN-UHFFFAOYSA-N |
270.05000 |
C15H10O5 |
-2.0476 |
1 |
3 |
86.99 |
4.0 |
20 |
3 |
Inhibition of IFN-gamma-mediated inducible nitric oxide synthase induction by the peroxisome proliferator-activated receptor gamma agonist, 15-deoxy-delta 12,14-prostaglandin J2, involves inhibition of the upstream Janus kinase/STAT1 signaling pathway.|Significance of the nongenomic, inflammatory pathway in mediating the toxic action of TCDD to induce rapid and long-term cellular responses in 3T3-L1 adipocytes.|The flavonoids luteolin and quercetagetin inhibit lipoteichoic acid actions on H9c2 cardiomyocytes.|Inhibition of tyrosine phosphorylation potentiates substrate-induced neurite growth.|A lymphocyte-specific protein tyrosine kinase, p56lck, regulates the PMA-induced internalization of CD4.|Role of tyrosine kinases in IgE-mediated signal transduction in human lung mast cells and basophils. |
genistein|446-72-0|Prunetol|Genisteol|4',5,7-Trihydroxyisoflavone|Genisterin|Sophoricol|5,7,4'-Trihydroxyisoflavone|5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one|Bonistein|Genestein|Differenol A|NPI 031L|5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|C.I. 75610|4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-|SIPI 807-1|5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one|UNII-DH2M523P0H|NSC 36586|4,5,7-Trihydroxyiso-flavone|CCRIS 7675|4',5, 7-Trihydroxyisoflavone|5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone|NSC36586|CHEMBL44|EINECS 207-174-9|BRN 0263823|ISOFLAVONE, 4',5,7-TRIHYDROXY-|MLS000738127|DH2M523P0H|CHEBI:28088|TZBJGXHYKVUXJN-UHFFFAOYSA-N|4′,5,7-Trihydroxyisoflavone|NSC-36586|GEN|NCGC00015479-09|DSSTox_CID_2308|DSSTox_RID_76542|Genistein, 99%, synthetic|DSSTox_GSID_22308|CAS-446-72-0|Lactoferrin-genistein|SR-01000075498|PTI G4660 (Genistein)|STO514|HSDB 7475|PTI G4660|PTI-G4660|SIPI-9764-I|3kgt|3kgu|Genistein, 8|Genistein,(S)|PTI-G 4660|TNP00151|IN1327|GENISTEIN (ENDOCRINE DISRUPTER)|Genistein (flavonoid)|PubChem9852|Spectrum_000320|Tocris-1110|1x7r|2qa8|Genistein 85% HPLC|SpecPlus_000305|AC1NQXT4|Spectrum2_000638|Spectrum3_000678|Spectrum4_001543|Spectrum5_000106|Lopac-G-6649|4',7-Trihydroxyisoflavone|MolMap_000022|UPCMLD-DP096|G 6649|G10000|4,5,7-Trihydroxyisoflavone|Isoflavone,5,7-trihydroxy-|Lopac0_000520|Oprea1_224620|Oprea1_437815|SCHEMBL19166|BSPBio_002375|KBioGR_002006|KBioGR_002564|KBioSS_000800|KBioSS_002573|SPECTRUM210296|5-18-04-00594 (Beilstein Handbook Reference)|BIDD:ER0113|DivK1c_006401|Genistein, analytical standard|SPBio_000636|4',5,7-trihydroxy-Isoflavone|GTPL2826|MEGxp0_000568|4,5,7-Trihydroxy Iso-Flavone|DTXSID5022308|UPCMLD-DP096:001|ACon1_001065|BDBM19459|cid_5280961|KBio1_001345|KBio2_000800|KBio2_002564|KBio2_003368|KBio2_005132|KBio2_005936|KBio2_007700|KBio3_001595|KBio3_003042|AOB5073|CHEBI: 28088|cMAP_000086|Bio1_000445|Bio1_000934|Bio1_001423|HMS2271K09|HMS3261H21|HMS3267K14|HMS3428M01|HMS3649B22|HMS3654D17|HMS3676I13|ACT05962|ALBB-015886|BCP07581|KS-00000MH8|Prunetol solution, 20 mM in DMSO|Tox21_110161|Tox21_201428|Tox21_300585|Tox21_500520|AC-472|BBL010484|CCG-38551|CG-009|Genistein solution, 20 mM in DMSO|LMPK12050218|MFCD00016952|s1342|SBB066115|STK801619|ZINC18825330|AKOS001590147|ENDOCRINE DISRUPTOR (GENISTEIN) (SEE ALSO GENISTEIN (446-72-0))|Tox21_110161_1|CS-1534|DB01645|KS-5128|LP00520|LS-1266|MCULE-4857649752|RL03694|RP29616|SB17235|SMP1_000133|Genistein; 4',5,7-Trihydroxyisoflavone|NCGC00015479-01|NCGC00015479-02|NCGC00015479-04|NCGC00015479-05|NCGC00015479-06|NCGC00015479-07|NCGC00015479-08|NCGC00015479-10|NCGC00015479-11|NCGC00015479-12|NCGC00015479-13|NCGC00015479-14|NCGC00015479-15|NCGC00015479-16|NCGC00015479-17|NCGC00015479-18|NCGC00015479-19|NCGC00015479-20|NCGC00025005-01|NCGC00025005-02|NCGC00025005-03|NCGC00025005-04|NCGC00025005-05|NCGC00025005-06|NCGC00025005-07|NCGC00169711-01|NCGC00169711-02|NCGC00254275-01|NCGC00258979-01|NCGC00261205-01|690224-00-1|AJ-70669|AK161745|AN-15821|BC200563|HY-14596|NCI60_003369|SC-04581|SMR000112580|ST056352|SY050124|AB1004490|EU-0100520|FT-0603395|G0272|N1861|SW203763-2|Genistein, disposable screening library format|MFCD00016952 (98%)|46G720|C06563|G-2535|Genistein, synthetic, >=98% (HPLC), powder|J10015|K00046|S-7751|US8552057, 2|AB00052696_09|AB00052696_12|A826657|Genistein, primary pharmaceutical reference standard|I06-0431|Q-100484|SR-01000075498-1|SR-01000075498-3|SR-01000075498-6|3-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one|BRD-K43797669-001-02-3|BRD-K43797669-001-03-1|BRD-K43797669-001-10-6|Genistein, from Glycine max (soybean), ~98% (HPLC)|SR-01000075498-10|5,7-dihydroxy-3-(4-hydroxyphenyl)-1-benzopyran-4-one|F0001-2388|4H-1-Benzopyran-4-one,7-dihydroxy-3-(4-hydroxyphenyl)-|UNII-71B37NR06D component TZBJGXHYKVUXJN-UHFFFAOYSA-N|Genistein, United States Pharmacopeia (USP) Reference Standard|Genistein, Pharmaceutical Secondary Standard; Certified Reference Material|4 inverted exclamation marka,5,7-Trihydroxyisoflavone; 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|5,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE; 4',5,7-TRIHYDROXYISOFLAVONE; PRUNETOL; GENISTEOL| |
| Liriodendrin |
natural product |
Kalopanax pictus|Delphinium giraldii|Beesia calthifolia|Coffea liberica var. dewevrei|Sarcophyton flexuosum|Pellacalyx axillaris|Emericellopsis minima|Artemisia pectinata|Eleutherococcus senticosus|Renealmia alpinia|Chrysanthemum indicum|Clerodendrum trichotomum|Chrysanthemum x morifolium|Delisea elegans|Gentiana crassicaulis|Takifugu niphobles|Gentiana dahurica|Rhododendron mucronulatum|Gutierrezia dracunculoides|Gentiana macrophylla|Gentiana straminea|Euonymus fortunei|Rhodiola rosea|Kalopanax septemlobus|Selinum libanotis|Euploca racemosa|Vigna angularis|Aspergillus microcysticus|Atelopus chiriquiensis|Vigna umbellata|Phlomis crinita|Helenium integrifolium|Vigna umbeuata|Plumeria rubra|Pestalotiopsis oenotherae|Streptomyces parvisporogenes|Alstonia angustiloba|Daphne feddei|Creosphaeria sassafras|Lupinus cosentinii|ducrosia ismaelis|Crotalaria stolzii|Coriaria nepalensis|Eucalyptus albens|Clinacanthus nutans|Papaver pseudocanescens|Annona cherimola|Pimpinella nudicaulis|Psidium acutangulum|Baccharis grandicapitulata|Tephroseris kirilowii|Ormosia dasycarpa|Piper brachystachyum|Xenia crassa|Pseudocyphellaria australiensis|Costasiella ocellifera|Bursera kerberi|Streptomyces melanogenes|Botrychium ternatum|Morella pensylvanica|Clausena pentaphylla|Notholaena nivea|Curcuma aeruginosa|Juniperus scopulorum|Melampodium leucanthum|Hedysarum gmelini|Micromonospora echinospora|Zephyranthes flava|Sideritis dasygnaphala|Stellaria media|Lasianthaea podocephala|Senecio congestus|Boschniakia rossica |
Reverse transcriptase - Human immunodeficiency virus 1 |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma |
3D viewer |
Pubchem |
|
21603207 |
573-44-4 |
COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C3C4COC(C4CO3)C5=CC(=C(C(=C5)OC)OC6C(C(C(C(O6)CO)O)O)O)OC |
FFDULTAFAQRACT-XKBSQSBASA-N |
742.27000 |
C34H46O18 |
-5.6196 |
12 |
8 |
254.14 |
24.0 |
52 |
6 |
Evaluation of natural products as inhibitors of human immunodeficiency virus type 1 (HIV-1) reverse transcriptase.|Phenylpropanoids from Daphne feddei and their inhibitory activities against NO production. |
|
| Wogonin |
natural product |
Scutellaria baicalensis|Bupleurum scorzonerifolium|Medicosma cunninghamii|Physalis minima|Scutellariae barbatae herba|Scutellaria barbata|Phellodendri amurensis cortex|Anodendron affine|Scutellaria epilobifolia|Dictamni cortex|Arachis hypogaea|Scutellaria viscidula|Forsythiae fructus|Scutellariae radix|Plantago major|Andrographis herba|Scutellaria hypericifolia|Oroxyli semen|Senecio speciosus|Atractylodes lancea|Achyranthis bidentatae radix|Prunus persica|Phellodendron chinense|Astragalus membranaceus|Vincetoxicum amplexicaule|Scutellaria rehderiana|Astragalus mongholicus|Coptis chinensis|Scutellaria lateriflora|Oroxylum indicum|Coptis deltoidea|Coptis japonica|Dioscorea tokoro|Bupleurum chinense|Coptis teeta|Crambe hispanica subsp. abyssinica|Scutellaria balcalensis|Dictamnus dasycarpus|Utricularia vulgaris|Andrographis paniculata|Eucommia ulmoides|Uvaria acuminata|Scutellaria likiangensis|Gardenia jasminoides|Helichrysum lindleyi|Saposhnikovia divaricata|Caesalpinia tinctoria|Cusparia macrocarpa|Eunicea knighti|Andropogon jwarancusa|Chromodoris hamiltoni|Sophora japonica|Anthemis auriculata|Clathrotropis brachypetala|Parinari campestris|Petrosimonia monandra|Undaria pinnatifida|Euphorbia sapinii|Stellaria dichotoma|Stellaria dichotoma var. lanceolata|Scutellaria amoena|Stizophyllum riparium|Dalbergia nigra|Kopsia hainanensis|Kalmia latifolia |
Path=ABCB5 pathway|AR pathway|Gen=CDK,Transferase|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus | Chromobox protein homolog 1 - Homo sapiens | Cyclooxygenase-2 - Mus musculus | Mothers against decapentaplegic homolog 3 - Homo sapiens | Rap guanine nucleotide exchange factor 3 - Homo sapiens | Geminin - Homo sapiens | Xanthine dehydrogenase - Bos taurus | Beta-2 adrenergic receptor - Homo sapiens | Serotonin 7 (5-HT7) receptor - Homo sapiens | Glutaminase kidney isoform, mitochondrial - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Avian myoblastosis virus polyprotein II - Avian myeloblastosis virus | 6-phospho-1-fructokinase - Trypanosoma brucei | Nitric oxide synthase, inducible - Mus musculus | Cyclooxygenase-2 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens |Org= Spodoptera litura | Hepatitis B virus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Lung Epithelial Carcinoma|Squamous Celll Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|Gen=Cell Cycle |
3D viewer |
Pubchem |
6F6A |
5281703 |
632-85-9 |
COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O |
XLTFNNCXVBYBSX-UHFFFAOYSA-N |
284.07000 |
C16H12O5 |
-1.476 |
1 |
2 |
75.99 |
5.0 |
21 |
3 |
Differential inhibitory effects of various flavonoids on the activities of reverse transcriptase and cellular DNA and RNA polymerases.|Determination of wogonin in rat plasma by liquid chromatography and its pharmacokinetic application.|Antioxidant activity of flavones from Scutellaria baicalensis in lecithin liposomes.|Analysis of inhibitory effects of scutellariae radix and baicalein on prostaglandin E2 production in rat C6 glioma cells.|Inhibitory effects of baicalein and wogonin on lipopolysaccharide-induced nitric oxide production in macrophages.|Antioxidant and free radical scavenging effects of baicalein, baicalin and wogonin. |
Wogonin|632-85-9|5,7-Dihydroxy-8-methoxyflavone|Vogonin|Norwogonin 8-methyl ether|4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-methoxy-2-phenyl-|UNII-POK93PO28W|BRN 0287152|POK93PO28W|5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-4-one|CHEMBL16171|FLAVONE, 5,7-DIHYDROXY-8-METHOXY-|CHEBI:10043|5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one|XLTFNNCXVBYBSX-UHFFFAOYSA-N|5,7-Dihydroxy-8-methoxy-2-phenyl-chromen-4-one|ST077088|Q-100730|4H-1-Benzopyran-4-one,5,7-dihydroxy-8-methoxy-2-phenyl-|5,7-dihydroxy-8-methoxy-2-phenyl-4H-1-benzopyran-4-one|wagonin|Wogonin,(S)|AC1NQYXJ|MLS002473006|SCHEMBL139083|CTK5B8471|DTXSID70212557|HMS2270G08|ZINC899093|HY-N0400|BDBM50140257|BN0711|GP7400|LMPK12111330|MFCD12828871|NSC717845|s4743|AKOS015917860|ZINC111327191|CCG-208499|CS-3959|MCULE-9854289767|NSC-717845|NCGC00247464-01|4CN-1056|AC-20338|AK168222|AN-46964|LS-68974|NCI60_040649|SC-25044|SMR001397111|ZB015158|TR-021802|FT-0603499|N1283|V1530|C10197|632W859|C-17890|SR-05000002216|I14-8669|SR-05000002216-2|5,7-Dihydroxy-8-methoxy-2-phenyl-chromen-4-one(Wogonin)| |
| Aucubin |
natural product |
Plantago asiatica|Stachys betonica|Euphrasia rubra|Metarhizium viride|Lycopodium confertum|Solanum pseudopersicum|Scrophularia ningpoensis|Kopsia longiflora|Rhododendron campylocarpum|Atroxima afzeliana|Kandelia candel|Hypericum reflexum|Ventilago goughii|Verbena officinalis|Dipsacus laciniatus|Carpinus laxiflora|Eucalyptus incrassata|Juncus effusus|Pithecellobium albicans|Sideritis soluta|Vitex negundo|Psammogeton canescens|Senecio sandersonii|Parmelinopsis bonariensis|Bletilla striata|Gentianopsis ciliata|Pinus pinea|Rhodanthe maryonii|Fagara tessmannii|Jasonia tuberosa|Allium stipitatum|Viguiera stenoloba|Bohadschia koellikeri|Laurencia pacifica|Pinus pumilio|Iostephane heterophylla|Chlorociboria aeruginascens|Solanum mauritianum|Cyberlindnera jadinii|Suckleya suckleyana|Tovomita brevistaminea|Lethasterias fusca|Scabiosa comosa|Pestalotiopsis microspora|Tovomita brasiliensis|Huperzia serrata|Plagiomnium cuspidatum|Eritrichium incanum|Ficus pantoniana|Alnus mandshurica|Lactarius spinosulus|Euphorbia antiquorum|Isodon pleiophyllus|Axinyssa variabilis|Cladophora rupestris|Himantoglossum hircinum|Streptomyces erythrochromogenes|Lippia javanica|Hordeum vulgare var. distichon|Guevaria sodiroi|Penstemon barbatus|Rhodiola coccinea|Andrachne rotundifolia|Aster maximus|Garcinia subelliptica|Globularia vulgaris|Lindera pipericarpa|castilleja tenuiflora|Sideritis trojana|Vellozia declinans|Danaus plexippus|Petrosia weinbergi|Myroxylon peruiferum|cresentia alata|Solanum unguiculatum|Scutellaria rivularis|Corynebacterium poinsettiae|Chaetomella raphigera|Brodiaea californica|vitex mollis|Viburnum lantanoides|Exochorda giraldii|Scutellaria racemosa|Boussingaultia baselloides|Liatris microcephala|Arisaema triphyllum|Penicillium chrysogenum|Chaerophyllum temulum|Platycodon grandiflorus|Aconitum miyabei|Dictyophora indusiata|Tephrosia noctiflora|Lecidea kochiana|Artemisia argentea|Haemanthus natalensis|Plectranthus comosus|Antidesma pentandrum|Vicia hirsuta|Nicotiana affinis|Geigeria plumosa|Veronica thomsonii|Preussia australis|Trichothecium crotocinigenum|Bauhinia tomentosa|Phomopsis leptostromiformis|Titanotrichum oldhamii|Vinca minor|Artemisia koidzumii|Methanosarcina barkeri|Physcia caesia|Populus yunnanensis|Scrophularia nodosa|Alstonia pittieri|Adenium somalense|Spergula japonica|Tapinella panuoides|Rehmanniae radix praeparata|Acanthella carteri|Trichoderma album|Eucalyptus kitsoniana|Agave kerchovei|Caesalpinia brevifolia|Verbascum pseudonobile|Plantaginis semen|Lindera sericea|Ostracion cubicus|Acacia lasiopetala|Isertia haenkeana|Furcraea macrophylla|Plantaginis herba|Bombus pascuorum|Myrsine capitellata|Plectranthus lanuginosus|Aspergillus caelatus|Usnea bayleyi|Buddlejae flos|Inga brenesii|Diacarnus levii|Alpinia kumatake|Arcopilus cupreus|Eucommia ulmoides|Verbenae herb|Pedicularis striata|Neonauclea calycina|Osteospermum fruticosum|Veronica cymbalaria|Plantago major|Eucommiae folium|Gymnopus androsaceus|Eusideroxylon zwageri|Pomacea canaliculata|Daphnandra repandula|Veronica lavaudiana|Eucommiae cortex|Elattostachys apetala|Euphorbia neriifolia|Diospyros leucomelas|Angiopteris evecta|Pseudocyphellaria rubella|Broussonetia papyrifera|Stephania aculeata|Goodenia strophiolata|Myristica malabarica|Heterophyllaea pustulata|Cyathula tomentosa|Chlorobium phaeobacteroides|Lepidophorum repandum|Limnodynastes salmini|Mollugo spergula|Rehmannia glutinosa|Plantago depressa|Toddalia aculeata|Scapania aequiloba|Streptomyces noursei|Combretum molle|Spartium junceum|Catalpa ovata|Asphodeline damascena|Veronica turrilliana|Ononis hircina|Notholaena lemmonii|Phialophora alba|Rheum maximowiczii|Scrophularia buergeriana|Markhamia stipulata|Dianella tasmanica|Cleistanthus gracilis |
Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus | Geminin - Homo sapiens | Cyclooxygenase-2 - Homo sapiens | Cyclooxygenase-1 - Homo sapiens | Lethal(3)malignant brain tumor-like protein 1 - Homo sapiens | Estrogen receptor alpha - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Skin Cancer|Skin Epidermoid Carcinoma |
3D viewer |
Pubchem |
|
91458 |
479-98-1 |
C1=COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O |
RJWJHRPNHPHBRN-FKVJWERZSA-N |
346.13000 |
C15H22O9 |
-3.5817 |
9 |
6 |
149.07 |
10.0 |
24 |
3 |
Inhibition of P-450 by aucubin: is the biological activity of aucubin due to its glutaraldehyde-like aglycone?|Mechanism of covalent adduct formation of aucubin to proteins.|Antiviral activity of Plantago major extracts and related compounds in vitro.|Systemic, genotype-specific induction of two herbivore-deterrent iridoid glycosides in Plantago lanceolata L. in response to fungal infection by Diaporthe adunca (Rob.) Niessel.|Immunomodulatory activities of flavonoids, monoterpenoids, triterpenoids, iridoid glycosides and phenolic compounds of Plantago species.|Anti-inflammatory activity of aucubin by inhibition of tumor necrosis factor-alpha production in RAW 264.7 cells. |
Aucubin|479-98-1|rhinanthin|Aucuboside|UNII-2G52GS8UML|EINECS 207-540-8|NSC 407293|2G52GS8UML|CHEBI:69796|1,4a,5,7a-Tetrahydro-5-hydroxy-7-hydroxymethylcyclopenta(c)pyran-1-yl-beta-D-glucopyranoside|Rhimantin|(1S-(1alpha,4aalpha,5alpha,7aalpha))-1,4a,5,7a-Tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl-beta-D-glucopyranoside|(2S,3R,4S,5S,6R)-2-(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopentacpyran-1-yloxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol|AC1Q70HR|Aucubin, analytical standard|MLS002473252|SCHEMBL381032|AC1L3M47|CHEMBL514882|MEGxp0_001729|ACon1_002452|RJWJHRPNHPHBRN-FKVJWERZSA-N|HMS3098B08|(2S,3R,4S,5S,6R)-2-((1S,4aR,5R,7aS)-5-Hydroxy-7-hydroxymethyl-1,4a,5,7a-tetrahydro-cyclopentacpyran-1-yloxy)-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol|HY-N0664|ZINC4098334|MFCD00136026|AKOS015896774|CS-5367|LMPR0102070006|MCULE-9554206504|NCGC00169833-01|NCGC00169833-02|AN-45176|CC-24208|SC-25935|SMR001397339|LS-183147|N2758|X1095|C09771|479A981|Aucubin, primary pharmaceutical reference standard|C-20503|I07-0246|Q-100516|(1S,4aR,5S,7aS)-1,4a,5,7a-Tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopentacpyran-1-yl beta-D-glucopyranoside|(2S,3R,4S,5S,6R)-2-(((1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopentacpyran-1-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol|(2S,3R,4S,5S,6R)-2-((1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopentacpyran-1-yloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol|(2S,3R,4S,5S,6R)-2-(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopentacpyran-1-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol|.beta.-D-Glucopyranoside, (1S,4aR,5S,7aS)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopentacpyran-1-yl|b-D-Glucopyranoside,(1S,4aR,5S,7aS)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopentacpyran-1-yl| |
| (1R,3S,4S,5S)-3-((E)-3-(3,4-Dihydroxyphenyl)Acryloyloxy)-1,4,5-Trihydroxycyclohexanecarboxylic Acid |
natural product |
Plantago major|Hedeoma drummondii|Euonymus alatus |Lonicera japonica|Epimedium wushanense|Hypericum japonicum|Pyrrosia lingua|Erigeron breviscapus|Phellodendron chinense|Pyrrosia petiolosa|Erycibe obtusifolia|Urtica dioica|Pyrrosia sheareri|Parmelia caraccensis|Conus tessulatus|Erycibe schmidtii|Epimedium koreanum|Pyrrosia tricuspis|Neopetrosia exigua|Foeniculum vulgare|Lactuca indica|Saussurea involucrata|Millettia ichthyochtona|Inula helenium|Lonicera fulvotomentosa|Imperata cylindrica var. major|Aplysia dactylomela|Lophatherum gracile|Artemisia annua|Andrographis paniculata|Echinaster echinophorus|Morus alba|Taraxacum officinale|Ceratozamia kuesteriana|Morus bombycis|Taraxacum mongolicum|Pteris altissima|Galium verum|Valeriana jatamansii|Centella asiatica|Epimedium sagittatum|Panax ginseng|Sargentodoxa cuneata|Phellodendri amurensis cortex|Prunus mume|Chrysanthemi flos|Scutellaria baicalensis|Xanthii fructus|Dodonaea viscosa|Arctium lappa|Polypodium vulgare|Lonicera dasystyla|Houttuynia cordata|Lonicera confuse|Artemisia apiacea|Iris tectorum|Polygonum aviculare|Forsythia suspense|Aster tataricus|Hippophae rhamnoides|Chrysanthemum morifolium|Chaenomeles sinensis|Blechnum orientale|Chaenomeles speciosa|Ligusticum chuanxiong|Chrysanthemum x morifolium|Taraxacum sinicum|Cichorium glandulosum|Cuscuta chinensis|Crataegus oxyacantha|Cichorium intybus|Matteuccia struthiopteris|Artemisia capillaries|Cuscuta australis|Eucommia ulmoides|Xanthium sibiricum|Ziziphus jujuba|Epimedium brevicornu|Artemisia scoparia|Acacia arabica|Epimedium grandiflorum|Loropetalum chinense|Camellia sinensis|Epimedium pubescens|Lythrum salicaria|Oryza sativa|Glehnia littoralis|Epimedium sempervirens|Lonicera hypoglauca|Gardenia jasminoides |
Path=MMP9 pathway|MAPK14 pathway|MAPK8 pathway|Gen=Others|Lysine-specific demethylase 4D-like - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Gen=Others |
3D viewer |
Pubchem |
5GMU |
12310830 |
No Cas |
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
CWVRJTMFETXNAD-KJOPMHRFSA-N |
354.10000 |
C16H18O9 |
-2.1962 |
7 |
6 |
164.75 |
11.0 |
25 |
2 |
|
C16H18O9|5-Caffeoylquinic acid|5-caffeoyl quinic acid|Chlorogensaure|CHEMBL366760|trans-5-O-Caffeoyl quinic acid|SCHEMBL13845477|SCHEMBL18109183|ZINC1532763|AKOS032430816|(1R,3S,4S,5S)-3-(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid|82659-69-6| |
| Naringin |
natural product |
Citrus spp|Ralstonia solanacearum|Hedysarum polybotrys|Fructus aurantii|Securidaca inappendiculata|Coccus fagi|Beyeria brevifolia|Fusarium gibbosum|Morus alba|Tripterygium wilfordii|Dendrosenecio kilimanjari|Lactarius scrobiculatus|Haplopappus chrysanthemifolius|Citrus trifoliata|Helianthus annuus|Simira eliezeriana|Cladonia evansii|Prunus laurocerasus|Portulaca oleracea|Citrus maxima|Pseudopterogorgia kallos|Bursaria spinosa|Stenostomum lucidum|Prunus mume|Helianthus maximiliani|Chromolaena odorata|Ficus formosana|Isodon kameba|Rheum coreanum|Ageratum conyzoides|Kaempferia pulchra|Artemisia monogyna|Senecio squalidus|Rheum officinale|Citrus nobilis|Cytisus austriacus|Centaurea spinosa|Elaeocarpus sylvestris|Rheum palmatum|Citrus tankan|Quercus aegilops|Citri reticulatae pericarpium viride|Prosopis glandulosa|Rheum tanguticum|Pericarpium citri reticulatae viride|Alligator mississippiensis|Citrus aurantium|Vitex madiensis|Rhododendron dauricum|Herba selaginellae doederleinii|Pyrosoma giganteum|Glycyrrhiza|Araujia sericifera|Scutellaria barbata|Helianthus canescens|Citri grandis exocarpium|Clematis terniflora var. mandshurica|Sophora japonica|Canarii fructus|Taxodium mucronatum|Citrus japonica var. margarita|Citrus reticulata|Pheidole pallidula|Exocarpium citri rubrum|Hedysari radix|Streptomyces althioticus|Citri exocarpium rubrum|Pterocarpus grandiflorus|Helianthus niveus|Radix moghaniae philippinensis|Exocarpium citri grandis|Aurantii fructus immaturus|Sesbania punicea|Aurantii fructus|Chloranthus tianmushanensis|Blumea glomerata|Astragalus membranaceus|Anaxagorea clavata|Pericarpium citri reticulatae|Astragalus mongholicus|Salvia officinalis|Citrus japonica|Clonostachys rosea|Pteris prolifera|Zaluzania augusta|Citrus grandis|Arnica nevadensis|Citrus medica|Pericarpium citri|Chromolaena pulchella|Citrus natsudaidai|Fortunella japonica|Dipterocarpus alatus|Cymbopogon citratus|Exocarpium citri|Epaltes gariepina|Citrus sinensis|Fortunella margarita|Agnorhiza bolanderi|Aplidium constellatum|Citrus unshiu|Citrus wilsonii|Poncirus trifoliata|Gardenia fosbergii|Bassia butyracea|Crocus sativus|Aceriphyllum rossii|Ilex affinis|Echinops amplexicaulis|Drynaria fortunei|Rhizobium phaseoli|Aria pallescens|Ganoderma lucidum|Seriphidium cinum|Drosera peltata|Ganoderma sinense|Odixia angusta |
Gen=P450 (e.g. CYP17)|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus | UDP-glucuronosyltransferase 1-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Glycogen synthase kinase-3 beta - Homo sapiens | Heparanase - Homo sapiens | Ubiquitin-conjugating enzyme E2 N - Homo sapiens | Geminin - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Bcl-2-related protein A1 - Mus musculus | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | Solute carrier organic anion transporter family member 1A5 - Rattus norvegicus | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Cytochrome P450 19A1 - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Protein-tyrosine phosphatase 1B - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | TAR DNA-binding protein 43 - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Transcriptional regulator ERG - Homo sapiens |Org= Salmonella typhimurium |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Gen=Metabolism |
3D viewer |
Pubchem |
|
442428 |
10236-47-2 |
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O |
DFPMSGMNTNDNHN-ZPHOTFPESA-N |
580.18000 |
C27H32O14 |
-4.8082 |
10 |
8 |
225.06 |
15.0 |
41 |
5 |
Anti-inflammatory effect of heme oxygenase 1: glycosylation and nitric oxide inhibition in macrophages.|Flavones are inhibitors of HIV-1 proteinase.|Protection by naringin and some other flavonoids of hepatocytic autophagy and endocytosis against inhibition by okadaic acid.|Inhibition of crystallins-induced inflammation in rabbit eyes with five phytogenic compounds.|Metabolic and analytical interactions of grapefruit juice and 1,2-benzopyrone (coumarin) in man.|Hesperidin as an inhibitor of lipases from porcine pancreas and Pseudomonas. |
naringin|10236-47-2|Naringoside|Naringin hydrate|UNII-N7TD9J649B|Naringenin 7-O-neohesperidoside|Naringenine-7-rhamnosidoglucoside|4'5-diOH-Flavone-7-rhgluc|CHEMBL451532|N7TD9J649B|CHEBI:28819|C27H32O14|aurantiin|Naringenin 7-Rhamnoglucoside|Naringenin-7-beta-neohesperidoside|Naringenin 7-O-alpha-L-rhamnosyl-(1->2)-beta-D-glucoside|EINECS 233-566-4|(2S)-7-(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yloxyoxan-2-yloxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one|(2S)-Naringin|AI3-19008|SR-01000736681|7-(2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy)-2,3-dihydro-4',5,7-trihydroxyflavone|Naringenin,(S)|(S)-7-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)tetrahydro-2H-pyran-2-yloxy)-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one|5-Hydroxy-2-(4-hydroxyphenyl)-7-(2-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyloxy)-4-chromanon|Naringin(Naringoside)|yphenyl)chroman-4-one|Naringin (Naringoside)|AC1L9CSZ|Prestwick0_000467|Prestwick1_000467|Prestwick2_000467|Prestwick3_000467|SCHEMBL23432|BSPBio_000574|cid_25075|MLS000069459|BIDD:ER0262|DivK1c_000247|SPBio_002513|BPBio1_000632|cid_442428|GTPL4738|MEGxp0_001877|DTXSID6022478|ACon1_000139|HMS500M09|KBio1_000247|DFPMSGMNTNDNHN-ZPHOTFPESA-N|NINDS_000247|HMS2231M18|38664-96-9|4H-1-Benzopyran-4-one, 7-((2-O-(6-deoxy-alpha-L-mannapyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl), (S)-|4H-1-Benzopyran-4-one, 7-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (2S)-|HY-N0153|ZINC8143604|BDBM50241582|MFCD00148888|s2329|AKOS016034302|CCG-208591|CS-5632|MCULE-5348711723|IDI1_000247|NCGC00142617-01|NCGC00142617-02|NCGC00142617-03|AK168137|AS-12929|CC-32461|SMR000059108|ST072162|N2371|C09789|J10148|236N472|C-23277|SR-01000736681-4|SR-01000736681-5|BRD-K02953697-001-09-2|BRD-K02953697-002-03-3|Naringenin 7-O-alpha-L-rhamnosyl-(1->2)-beta-D-glucoside|naringenin 7-O-(alpha-L-rhamnosyl-(1,2)-beta-D-glucoside)|Naringoside, Naringenine-7-rhamnosidoglucoside, 10236-47-2|(2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside|(2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-betaD-glucopyranoside|(2S)-7-(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yloxy-tetrahydropyran-2-yloxy-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one|(2S)-7-(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yloxyoxan-2-yloxy-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one|(2S)-7-(2S,4S,5S,3R,6R)-3-((2S,6S,3R,4R,5R)-3,4,5-trihydroxy-6-methyl(2H-3,4, 5,6-tetrahydropyran-2-yloxy))-4,5-dihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetra hydropyran-2-yloxy)-5-hydroxy-2-(4-hydrox|(2S)-7-(2S,4S,5S,3R,6R)-3-((2S,6S,3R,4R,5R)-3,4,5-trihydroxy-6-methyl(2H-3,4, 5,6-tetrahydropyran-2-yloxy))-4,5-dihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetra hydropyran-2-yloxy)-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one|(2S)-7-{(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yloxy}oxan-2-yloxy}-5-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one|(S)-7-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)|(S)-7-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one|(S)-7-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-2H-pyran-2-yloxy)-tetrahydro-2H-pyran-2-yloxy)-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one|10236-69-8|109010-50-6|11032-31-8|1675240-74-0|17784-35-9|30174-44-8|30552-25-1|7-(2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy)-2,3-dihydro-4,5,7-trihydroxyflavone;Naringin|7-(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yloxyoxan-2-yloxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one|7-2-O-(6-Deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyloxy-5-hydroxy-2(S)-(4-hydroxyphenyl)-4H-1-benzopyran-4-one| |
| Epicatechin Gallate |
natural product |
Diospyros kaki|Parapiptadenia rigida|Perezia carpholepis|Quercus rubra|Dermolepida albohirtum|Phoenix loureiroi|Blastochloris viridis|Gnetum latifolium|Peltostigma guatemalense|Honorius nutans|Helichrysum chionosphaerum|Gardenia jasminoides|Lysimachia mauritiana|Rauvolfia vomitoria|Melochia tomentosa|Zanthoxylum tetraspermum|Lepisorus ussuriensis|Ilex purpurea|Boronia coerulescens|Nasutitermes ephratae|Aizopsis selskiana|Vitis vinifera|Salvia syriaca|Cotyledon secunda|Chaiturus marrubiastrum|Streptomyces hachijoensis|Balanophora involucrata|Rheum officinale|Dictyopteris acrostichoides|Coccus ilicis|Alstonia spathulata|Nuphar lutea|Gomortega keule|Streptomyces paulus|Albizia myriophylla|Triaenophora rupestris|Carduus tenuiflorus|Justicia paniculata|Sinularia maxima|Anaphalis lactea|Lespedeza tomentosa|Artemisia assoana|Lotus japonicus|Phoebe pittieri|Photinia serratifolia|Keiferia lycopersicella|Wikstroemia retusa|Senna siamea|Glycyrrhiza uralensis|Cinnamomum cassia|Euryops algoensis|Annona cornifolia|Penicillium bilaiae|Petunia integrifolia subsp. inflata|Sabina sargentii|Rhododendron dahuricum|Sinularia depressa|Conoideocrella luteorostrata|Rhynchophorus ferrugineus|Swertia franchetiana|Beilschmiedia anacardioides|Picea mariana|Mandragora autumnalis|Acanthophyllum elatius|Rubia oncotricha|Atylosia trinervia|Phyllanthi fructus|Leptocereus quadricostatus|Balanophora laxiflora|Dillenia indica|Alectoria divergens|Hedysarum connatum|Senegalia catechu|Xyris pterygoblephara|Degenia velebitica|Ipomoea digitata|Acacia adunca|Thalictrum longistylum|Crataegus pinnatifida|Ehretia dicksonii|Chaenomeles sinensis|Oophaga granulifera|Dendrodoris tuberculosa|Quercus robur|Cynomorium songaricum|Euphorbia hirta|Bishovia boliviensis|Iryanthera coriacea|Tanacetum coccineum|Anchusa azurea|Caragana aurantiaca|Nelumbo nucifera|Aristolochia zollingeriana|Lentinus tigrinus|Lupinus corymbosus|Leathesia nana|Laurencia spectabilis|Senecio renardii|Orostachys fimbriata|Elephantopus mollis|Dipsacus azureus|Pieris napi|Benincasa hispida|Eucalyptus melliodora|Rumex maritimus|Orostachys japonicus|Salvia parryi|Vaccinium oxycoccos|Premna odorata|Craspidospermum verticillatum|Calostephane divaricata|Bacillus subtilis|Solanum laxum|Rheum coreanum|Verbascum thapsiforme|Viguiera oblongifolia|Hypericum laricifolium|Ramalina stenospora|Ixeris stolonifera|Viguiera incana|Viburnum urceolatum|Caulerpa peltata|Tagetes filifolia|Streptomyces xanthochromogenes|Amathia pinnata|Polyporus betulinus|Rheum palmatum|Anacystis montana|Virola multinervia|Delphinium nuttallianum|Penicillium shearii|Asterospicularia laurae|Rheum tanguticum|Dalbergia lanceolaria subsp. paniculata|Leucopaxillus gentianeus|Delphinium virgatum|Pinalia stricta|Lupinus verbasciformis|Grangea maderaspatana|Marrubium anisodon|Dumortiera hirsuta|Isaria felina|Aframomum amaniense|Sphaerella rosigena|Nepeta granatensis|Scutellaria amoena|Cephalaria grossheimii|Streptomyces avermitilis|Erythrophleum ivorense|Penicillium paxilli|Stephanitis takeyai|Drechslera avenae|Turpinia ternata|Naja kaouthia|Hypericum ascyron|Bartramia pomiformis|Chaetomium carinthiacum|Iris ensata|Khaya senegalensis|Jacquemontia paniculata|Petasites georgicus|Amphorogyne spicata|Penicillium kapuscinskii|Larix cajanderi|Rosa pomifera|Sextonia rubra|Cinnamomum aromaticum|Adiantum lunulatum|Cereus candicans|Onobrychis arenaria|Astragalus sempervirens|Melaleuca rhaphiophylla|Goniothalamus malayanus|Cedrus libani|Senecio behnii|Pseudoalteromonas luteoviolacea|Litsea pungens|Ovophis okinavensis|Artemisia schimperi|Salvia greggii|Metrodorea nigra|Nama hispidum|Bipolaris heveae|Senecio praecox|Gleichenia quadripartita|Khaya ivorensis|Pastinaca sativa|Camellia sinensis|Naucleopsis ternstroemiiflora|Mitracarpus scaber|Helipterum roseum|Cerinthe minor|Dioscorea japonica |
Path=ODC1 pathway|Apoptosis regulator Bcl-2 - Homo sapiens |Org= Plasmodium falciparum (isolate FcB1 / Columbia)|3-oxoacyl-acyl-carrier protein reductase - Plasmodium falciparum | 6-phosphogluconate dehydrogenase - Homo sapiens | Glucose-6-phosphate 1-dehydrogenase - Saccharomyces cerevisiae S288c | Fatty acid synthase - Plasmodium falciparum | Enoyl-acyl-carrier protein reductase - Plasmodium falciparum | Beta-secretase 1 - Homo sapiens |Org= Plasmodium falciparum|Dihydrofolate reductase - Homo sapiens | 3-oxoacyl-acyl-carrier protein reductase - Plasmodium falciparum | Enoyl-[acyl-carrier-protein] reductase - Escherichia coli K-12 | MAP kinase p38 alpha - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Apoptosis regulator Bcl-2 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Death-associated protein kinase 1 - Homo sapiens | Fatty acid synthase - Gallus gallus | Human immunodeficiency virus type 1 reverse transcriptase - Human immunodeficiency virus 1 | Serum albumin - Homo sapiens |Org= Staphylococcus aureus | Plasmodium falciparum | Neofusicoccum luteum | Diplodia seriata | Human immunodeficiency virus 1 |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Gen=Others |
3D viewer |
Pubchem |
6DHL |
107905 |
1257-08-5 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
LSHVYAFMTMFKBA-TZIWHRDSSA-N |
442.09000 |
C22H18O10 |
-3.5057 |
2 |
7 |
177.14 |
11.0 |
32 |
4 |
[The inhibitory effects of catechin derivatives on the activities of human immunodeficiency virus reverse transcriptase and DNA polymerases].|[Inhibitory effect of green tea extract on promotion and related action of TPA].|Effect of anthraquinone derivatives on lipid peroxidation in rat heart mitochondria: structure-activity relationship.|Selective inhibition of steroid 5 alpha-reductase isozymes by tea epicatechin-3-gallate and epigallocatechin-3-gallate.|[The inhibitory effects of epicatechin complex on diethylnitrosamine induced initiation of hepatocarcinogenesis in rats].|Inhibitory effects of crude drug components on the proliferation of cultured human mesangial cells. |
(-)-Epicatechin gallate|1257-08-5|Epicatechin gallate|(-)-Epicatechin-3-O-gallate|L-Epicatechin gallate|(-)-epicatechingallate|(-)-Epicatechin-3-gallate|epicatechin monogallate|(-)-Epicatechin 3-O-gallate|Teatannin|Epicatechol, gallate|UNII-92587OVD8Z|3-O-Galloylepicatechin|3-Gallate(-)-Epicatechol|NSC 636594|(-)-cis-3,3',4',5,7-Pentahydroxyflavane 3-gallate|CHEMBL36327|(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate|ECG|CHEBI:70255|LSHVYAFMTMFKBA-TZIWHRDSSA-N|92587OVD8Z|C22H18O10|epicatechin gallate, (2R-cis)-isomer|Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (2R-cis)-|(-)-ECG|(-)-cis-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-gallate|(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl 3,4,5-trihydroxybenzoate|(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl 3,4,5-trihydroxybenzoate|(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate|Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester|epicatechin-3-O-gallate|epi-Catechin 3-O-gallate|Epicatechol, gallate (6CI)|NSC636594|(-)epicatechingallate|Epicatechin 3-gallate|Spectrum_000314|SpecPlus_000275|(-) epicatechin gallate|Spectrum2_000165|Spectrum3_000246|Spectrum4_001540|Spectrum5_000080|epicatechin gallate (ECG)|(-)-Epicatechin gallate,|AC1L32YN|(-)-Epicatechin 3-gallate|(?)-Epicatechin 3-gallate|3-Galloyl-(-)-epicatechin|SCHEMBL39047|BSPBio_001632|KBioGR_001980|KBioSS_000794|SPECTRUM210238|(-)-Epicatechin-3-gallate,|DivK1c_006371|SPBio_000029|AC1Q5X10|MEGxp0_000810|(-)-epi-Catechin 3-O-gallate|(-)-Epicatechin-3-O-gallate,|CTK8E0233|Epicatechol, 3-gallate, (-)-|KBio1_001315|KBio2_000794|KBio2_003362|KBio2_005930|KBio3_001132|(?)-ECG|3,4,5-Trihydroxy-benzoic acid 2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester|Benzoic acid, 3,4,5-trihydroxy-, (2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester|HY-N0002|ZINC3978503|BDBM50153015|CCG-38376|CE0014|LMPK12020090|MFCD00075936|AKOS015965216|AC-6037|AM84365|CS-3761|MCULE-8110076741|SDCCGMLS-0066549.P001|3-Galloyl-(2R,3R)-(-)-Epicatechin|Epicatechol, 3-gallate, (-)- (8CI)|NCGC00179135-01|AJ-47571|AN-48941|AS-15722|LS-38401|Q429|AB0017581|AX8001457|E0890|ST24033389|257E085|C-22380|SR-05000002675|Q-200002|SR-05000002675-1|BRD-K50660797-001-01-0|BRD-K50660797-001-03-6|(-)-Epicatechin gallate, >=98% (HPLC), from green tea|UNII-T432289GYZ component LSHVYAFMTMFKBA-TZIWHRDSSA-N|Epicatechin gallate, primary pharmaceutical reference standard|(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl 3,4,5-trihydroxybenzoate|(-)-cis-3,3 inverted exclamation marka,4 inverted exclamation marka,5,7-Pentahydroxyflavane 3-gallate|(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate|3,4,5-Trihydroxy-benzoic acid (2R,3R)-2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester|3,4,5-Trihydroxybenzoic Acid (2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl Ester|Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7- dihydroxy-2H-1-benzopyran-3-yl ester, (-)-cis-|NCGC00179135-03!(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate| |
| Resveratrol |
natural product |
Vitis vinifera|Polygonum cuspidatum|Dracaena cochinchinensis|Artocarpus dadah|Lupinus paniculatus|Thelephora palmata|Cotyledon secunda|Onobrychis arenaria|Hohenbuehelia grisea|Vernonia menthaefolia|Felicia erigeroides|Scutellaria amoena|Veratrum grandiflorum|Fallopia multiflora|Cytisus striatus|Justicia secunda|Vulpes vulpes|Euonymus sachalinensis|Rheum coreanum|Lobophytum chevalieri|Boehmeria nivea|Sabina sargentii|Lepisorus ussuriensis|Rheum officinale|Streptomyces avermitilis|Artemisia chinensis|Tanacetum parthenium|Trinia scabra|Bulla striata|Rheum palmatum|Eupatorium glutinosum|Phoebe pittieri|Gadus morhua callarias|Eria mollis|Solanum laxum|Astragalus cibarius|Rheum tanguticum|Anacystis montana|Adiantum lunulatum|Flacourtia jangomas|Ipomoea digitata|Rattus rattus|Aconitum heterophylloides|Thalictrum glaucum|Perezia recurvata|Rheum undulatum|Rivularia firma|Teucrium yemense|Rubia cordifolia|Smilax china|Veratrum dahuricum|Caragana aurantiaca|Alstonia spathulata|Uta tuberculata|Leucosceptrum canum|Smilax glabra|Xanthoparmelia verrucigera|Enceliopsis argophylla|Yucca schidigera|Sinularia depressa|Lavandula vera|Saccharum spontaneum|Leathesia nana|calligonum leucocladum|Marasmius oreades|Gentiana flavo-maculata|Smilax menispermoidea|Helipterum roseum|Dermocybe canaria|Laurencia spectabilis|Vigna angularis|Eucalyptus wandoo|Tsuga mertensiana|Vatica rassak|Broussonetia papyrifera|Eleutherococcus sessiliflorus|Celaenodendron mexicanum|Vigna umbellata|Veratrum nigrum l. var. ussuriense nakai|Drechslera avenae|Carica pennata|Belamcanda chinensis|Murraya microphylla|Hoya australis|Vigna umbeuata|Trifolium dubium|Methylobacterium rhodinum|Heliotropium hirsutum|stuhlmannia moavi|Pastinaca sativa|Euphorbia tortilis|Croton poilanei|Leptactina senegambica|Dictyopteris australis|Peltostigma guatemalense|Gymnosporia diversifolia|Wikstroemia retusa|Neobalanocarpus heimii|Rheum wittrocki|Maytenus imbricata|Annona cornifolia|Hylotelephium telephium|Baccharis patagonica|Chaenomeles sinensis|Naucleopsis ternstroemiiflora|Dictyoloma incanescens|Cassia dentata|Dictyopteris undulata|Eriocheir sinensis|Panax ginseng|Bassia muricata|Mori cortex|Asterospicularia laurae|Astragalus sempervirens|Cudrania javanensis|Marrubium anisodon|Lecanora vinetorum|Zanthoxylum tetraspermum|Premna odorata|Psychotria stachyoides|Smilacis glabrae rhixoma|Guatteria melosma|Corydalis humosa|Arachis hypogaea|Cinnamosma macrocarpa|Dodonaea viscosa|Azotobacter agilis|Eucalyptus melliodora|Polygoni cuspidati rhizoma et radix|Lentzea albida|Crotalaria anagyroides|Veratrum grandiflo|Aphyllocladus denticulatus|Cotula filicula|Fritillaria persica|Caulocystis cephalornithos|Streptomyces avermitilis ma4680|Curcuma xanthorrhiza|Artemisia assoana|Picea glehnll|Lygodium flexuosum|Ageratina adenophora|Dumortiera hirsuta|Streptomyces venezuelae|Ustilago esculenta|Coprosma lucida|Ampelopsis brevipedunculata|Acacia adunca|Epichloe festucae var. lolii|Suberea mollis|Iris domestica|Capsicum tetragonum|Dysoxylum cumingianum|Polygonum multiflorum|Pseudoalteromonas luteoviolacea|Adansonia grandidieri|Gnetum latifolium|Dasymaschalon sootepense|Caragana sinica|Goniothalamus malayanus|Andrographis lineata|Aspergillus sulphureus|Sphagneticola trilobata|Strychnos staudtii|Daemonorops draco|Senecio subdentatus|Aconitum tasiromontanum|Amathia pinnata|Lysimachia mauritiana|Isaria fumosorosea|Lithoplocamia lithistoides|Dendriopoterium menendezii|Dryopteris crassirhizoma|Hypericum laricifolium|Senecio toluccanus|Calostephane divaricata|Securinega melanthesoides|Lycoris traubii|Nasutitermes ephratae|Hippophae rhamnoides|Aster sedifolius|Garcinia quaesita|Physalis alkekengi|Hedysarum connatum|Swertia franchetiana|Humulus lupulus|Miliusa velutina|Viguiera incana|Vaccinium oxycoccos|Canthium berberidifolium|Polyalthia evecta|Cytophaga hutchinsoni|Sphaerella laricina|Phalaenopsis cornu-cervi|Blastochloris viridis|Rumex maritimus|Glochidion wrightii|Aconitum seravschanicum|Morus alba|Sagenomella striatispora|Sideritis chamaedryfolia|Melicope ternata|Salvia syriaca|Piper caninum|Oroxylum indicum|Bishovia boliviensis|Rauvolfia vomitoria |
Gen=Autophagy|NAD(P)H dehydrogenase [quinone] 1 - Mus musculus | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Survival motor neuron protein - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Cytochrome P450 1A2 - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Cytochrome P450 2C19 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Pyruvate kinase - Leishmania mexicana | Lysine-specific demethylase 4D-like - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Prelamin-A/C - Homo sapiens | Cytochrome P450 19A1 - Homo sapiens | Monoamine oxidase B - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Histone acetyltransferase GCN5 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens |Org= Plasmodium falciparum|Carbonic anhydrase II - Homo sapiens | Carbonic anhydrase XIV - Homo sapiens | Carbonic anhydrase I - Homo sapiens | Carbonic anhydrase 15 - Mus musculus | Carbonic anhydrase VA - Homo sapiens | Carbonic anhydrase VB - Homo sapiens | Carbonic anhydrase IV - Homo sapiens | Carbonic anhydrase III - Homo sapiens | Carbonic anhydrase XII - Homo sapiens | Carbonic anhydrase XIII - Homo sapiens | Carbonic anhydrase VI - Homo sapiens | Carbonic anhydrase VII - Homo sapiens | Carbonic anhydrase IX - Homo sapiens| Chromobox protein homolog 1 - Homo sapiens | NAD-dependent deacetylase sirtuin 1 - Homo sapiens | Prenyltransferase homolog - Streptomyces coelicolor A3 | Estrogen receptor beta - Homo sapiens | Beta amyloid A4 protein - Homo sapiens | P-glycoprotein 1 - Homo sapiens | Protein-tyrosine phosphatase 1B - Homo sapiens | Cyclooxygenase-1 - Homo sapiens | Tyrosine-protein kinase LCK - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | 78 kDa glucose-regulated protein - Homo sapiens | Cyclooxygenase-1 - Ovis aries | Tyrosinase - Agaricus bisporus | Cyclooxygenase-2 - Homo sapiens | Transient receptor potential cation channel subfamily A member 1 - Rattus norvegicus | Androgen Receptor - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Regulator of G-protein signaling 4 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | M-phase phosphoprotein 8 - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Zinc finger protein mex-5 - Caenorhabditis elegans | Aryl hydrocarbon receptor - Oryctolagus cuniculus | Monoamine oxidase A - Homo sapiens | Niemann-Pick C1 protein - Homo sapiens | Serine/threonine-protein kinase mTOR - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Ornithine decarboxylase - Homo sapiens | Apoptosis regulator Bcl-X - Homo sapiens | Alpha-1d adrenergic receptor - Rattus norvegicus | Arachidonate 15-lipoxygenase, type II - Homo sapiens | Leukotriene A4 hydrolase - Homo sapiens | N1L - Vaccinia virus | Huntingtin - Homo sapiens | M18 aspartyl aminopeptidase - Plasmodium falciparum 3D7 | Norepinephrine transporter - Homo sapiens | Nitric oxide synthase, inducible - Mus musculus | Nuclear receptor ROR-gamma - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Large T antigen - Simian virus 40 | Carbonic anhydrase II - Homo sapiens | Bcr/Abl fusion protein - Homo sapiens | Tyrosinase - Mus musculus | Ras-related protein Rab-9A - Homo sapiens | NAD-dependent deacetylase sirtuin 2 - Homo sapiens | Cytochrome P450 1A1 - Homo sapiens | Cyclooxygenase-2 - Ovis aries | Sucrase-isomaltase - Rattus norvegicus | Tyrosinase - Homo sapiens | Cholinesterase - Equus caballus | Acidic alpha-glucosidase - Rattus norvegicus | Cerebroside-sulfatase - Homo sapiens | Lysosomal alpha-glucosidase - Homo sapiens | FAD-linked sulfhydryl oxidase ALR - Homo sapiens | Peripheral myelin protein 22 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | Quinone reductase 2 - Homo sapiens | Bloom syndrome protein - Homo sapiens | Cytochrome P450 1B1 - Homo sapiens | Protein kinase C alpha - Homo sapiens | Cathepsin L - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | Canalicular multispecific organic anion transporter 1 - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Carbonic anhydrase IX - Homo sapiens | 6-phospho-1-fructokinase - Trypanosoma brucei |Org= Filobasidiella neoformans | Pseudomonas aeruginosa PAO1 | Streptococcus mutans | Plasmodium falciparum | Candida albicans SC5314 | Helicobacter pylori | Neofusicoccum luteum | Human immunodeficiency virus 1 | Chromobacterium violaceum | Neisseria gonorrhoeae | Candida albicans | Streptococcus sanguinis | Staphylococcus aureus | Tetrahymena thermophila | Saccharomyces cerevisiae | Agrobacterium tumefaciens | Pseudomonas aeruginosa | Leishmania donovani |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Non-Melanoma Skin Cancers|Fibroblast|Non-small Cell Lung Cancer|Lewis Lung carcinoma |Gen=Autophagy |
3D viewer |
Pubchem |
4JAZ 1DVS 4QOH 4QOJ |
445154 |
501-36-0 |
C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O |
LUKBXSAWLPMMSZ-OWOJBTEDSA-N |
228.08000 |
C14H12O3 |
-0.9131 |
0 |
3 |
60.69 |
5.0 |
17 |
2 |
Class A scavenger receptor up-regulation in smooth muscle cells by oxidized low density lipoprotein. Enhancement by calcium flux and concurrent cyclooxygenase-2 up-regulation.|Resveratrol inhibits polyphosphoinositide metabolism in activated platelets.|Resveratrol attenuates the release of inflammatory cytokines from human bronchial smooth muscle cells exposed to lipoteichoic acid in chronic obstructive pulmonary disease.|Resveratrol attenuates constitutive STAT3 and STAT5 activation through induction of PTP and SHP-2 tyrosine phosphatases and potentiates sorafenib-induced apoptosis in renal cell carcinoma.|Resveratrol inhibits STAT3 signaling pathway through the induction of SOCS-1: Role in apoptosis induction and radiosensitization in head and neck tumor cells.|The red wine phenolics trans-resveratrol and quercetin block human platelet aggregation and eicosanoid synthesis: implications for protection against coronary heart disease. |
resveratrol|501-36-0|trans-resveratrol|3,4',5-Trihydroxystilbene|3,5,4'-Trihydroxystilbene|(E)-5-(4-Hydroxystyryl)benzene-1,3-diol|(E)-resveratrol|3,4',5-Stilbenetriol|Resvida|3,4',5-Trihydroxy-trans-stilbene|5-(E)-2-(4-hydroxyphenyl)ethenylbenzene-1,3-diol|SRT-501|SRT501|Resveratol|3,5,4'-Trihydroxy-trans-stilbene|5-(E)-2-(4-hydroxyphenyl)vinylbenzene-1,3-diol|5-(1E)-2-(4-Hydroxyphenyl)ethenyl-1,3-benzenediol|3,4',5-trihydroxy-stilbene|Resveratrol, natural|UNII-Q369O8926L|CHEBI:45713|trans-3,4',5-trihydroxystilbene|(E)-5-(p-Hydroxystyryl)resorcinol|trans-1,2-(3,4',5-Trihydroxydiphenyl)ethylene|5-2-(4-hydroxyphenyl)ethenylbenzene-1,3-diol|CHEMBL165|NSC 327430|(E)-5-2-(4-hydroxyphenyl)ethenyl-1,3-benzendiol|MLS000069735|1,3-Benzenediol, 5-(2-(4-hydroxyphenyl)ethenyl)-, (E)-|LUKBXSAWLPMMSZ-OWOJBTEDSA-N|C14H12O3|trans-3,4',5 - trihydroxystilbene|NSC327430|Q369O8926L|5-((1E)-2-(4-Hydroxyphenyl)ethenyl)-1,3-benzenediol|trans-3,4′,5-Trihydroxystilbene|AK-39118|SMR000058206|DSSTox_CID_11980|DSSTox_RID_78898|DSSTox_GSID_31980|(E)-5-(2-(4-hydroxyphenyl)ethenyl)-1,3-benzenediol|(E)-5-2-(4-Hydroxyphenyl)ethenyl-1,3-benzenediol|1,3-Benzenediol, 5-(1E)-2-(4-hydroxyphenyl)ethenyl-|SRT 501|MFCD00133799|STL|SR-01000000163|5-(1E)-2-(4-hydroxyphenyl)vinylbenzene-1,3-diol|CHEBI:27881|CCRIS 8952|HSDB 7571|3fts|4jaz|4qer|Resveratrol, E-|Resveratrol,(S)|KUC104385N|Stilbene, 2f|TaxusChinensisiRehd|NCGC00015894-02|PREVENTION 8 (RESVERATROL)|CAS-501-36-0|Prestwick_619|Resveratrol, trans-|Resveratrol, 99%|KSC-10-164|Resveratrol, synthetic|RM-1812|Opera_ID_586|AC1L9HIC|Prestwick2_000508|Prestwick3_000508|Spectrum5_000552|R 5010|Lopac0_001111|REGID_for_CID_6240|SCHEMBL19425|BSPBio_000435|BSPBio_001114|BSPBio_003461|MLS001055357|MLS001076538|MLS001424228|MLS002207121|MLS002222231|ARONIS24568|SPECTRUM1502223|CU-01000001503-3|BPBio1_000479|cid_445154|GTPL8741|SGCUT00007|trans-Stilbene-3,4',5-triol|ZINC6787|Resveratrol, analytical standard|DTXSID4031980|REGID_for_CID_445154|BDBM23926|Resveratrol, >=99% (HPLC)|BBC/741|BIK9013|2l98|BCPP000091|HMS1362H15|HMS1569F17|HMS1792H15|HMS1921N04|HMS1990H15|HMS2052I09|HMS2096F17|HMS2232A18|HMS3263O04|HMS3403H15|HMS3649A20|HMS3676O14|ACT09778|BCP01416|to_000079|ZX-AS004941|ZX-AT013797|Tox21_110257|Tox21_201374|Tox21_303376|Tox21_501111|ABP000376|AC-727|AN-865|BBL028252|BS0159|CCG-38874|CR-003|GP2549|GP5884|LMPK13090005|s1396|SBB055452|STL146386|AKOS005720936|Tox21_110257_1|ACN-034773|API0000480|CS-1050|DB02709|KS-5047|LP01111|LS-2146|MCULE-5678456463|NC00349|NSC-327430|OR46018|RP17549|SB17273|SDCCGMLS-0002998.P003|IDI1_002152|Resveratrol solution, 100 mM in DMSO|NCGC00017352-05|NCGC00017352-06|NCGC00017352-07|NCGC00017352-08|NCGC00017352-09|NCGC00017352-10|NCGC00017352-11|NCGC00017352-12|NCGC00017352-13|NCGC00017352-14|NCGC00017352-15|NCGC00017352-16|NCGC00017352-17|NCGC00017352-18|NCGC00017352-19|NCGC00017352-24|NCGC00024003-00|NCGC00024003-04|NCGC00024003-05|NCGC00024003-06|NCGC00024003-07|NCGC00024003-08|NCGC00024003-09|NCGC00024003-10|NCGC00024003-11|NCGC00024003-12|NCGC00024003-13|NCGC00024003-14|NCGC00257465-01|NCGC00258925-01|NCGC00261796-01|4CN-0696|AJ-08292|AS-12413|BC202036|BR-39118|CC-34242|CJ-00111|CPD000058206|HY-16561|SAM001246888|SC-11924|ST057251|ZB000650|AB0006623|AX8004672|ST2408097|TL8003323|EU-0101111|FT-0082623|N1848|R0071|Resveratrol, Vetec(TM) reagent grade, 98%|SW196786-4|01R360|C03582|J10118|N88795|5-2-(4-hydroxyphenyl)vinyl-1,3-benzenediol|AB00052942-29|AB00052942_31|A827984|5-(E)-2-(4-Hydroxyphenyl)vinyl-1,3-benzoldiol|I06-0437|SR-01000000163-3|SR-01000000163-4|SR-01000000163-9|5-(E)-2-(4-hydroxyphenyl)ethenyl-1,3-benzenediol|5-(E)-2-(4-Hydroxyphenyl)ethenylbenzol-1,3-diol|5-(E)-2-(4-Hydroxyphenyl)vinyl-1,3-benzenediol|5(E)-2-(4-Hydroxyphenyl)-vinylbenzene 1,3-diol|BRD-K25591257-001-01-2|BRD-K80738081-001-06-2|BRD-K80738081-001-07-0|BRD-K80738081-001-09-6|BRD-K80738081-001-10-4|BRD-K80738081-001-23-7|SR-01000000163-10|SR-01000000163-11|SR-01000000163-16|(E)-1-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethene|(E)1-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethene|5-(1E)-2-(4-Hydroxyphenyl)ethenyl-1,3,benzenediol|Resveratrol, certified reference material, TraceCERT(R)|1,3-Benzenediol, 5-(E)-2-(4-hydroxyphenyl)ethenyl-|Resveratrol, European Pharmacopoeia (EP) Reference Standard|533C1DA0-4104-42B5-9D32-9265F40857E4|trans-Resveratrol, United States Pharmacopeia (USP) Reference Standard|3,4',5-Trihydroxy-trans-stilbene 5-(1E)-2-(4-hydroxyphenyl)ethenyl-1,3-benzenediol|(E)-5-(2-(4-hydroxyphenyl)ethenyl)-1,3-benzenediol(E)-5-(2-(4-hydroxyphenyl)ethenyl)-1,3-benzenediol|InChI=1/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1|trans-3,5,4'-Trihydroxystilbene3,4',5-Stilbenetrioltrans-Resveratrol(E)-5-(p-Hydroxystyryl)resorcinol(E)-5-(4-hydroxystyryl)benzene-1,3-diol| |
| Kaempferol |
anticancer |
Rosmarinus officinalis|Fragaria ananassa|Diospyros lotus|Ginkgo biloba|Punica granatum|Hypericum perforatum| |
Path=PLCG1 pathway|SYK pathway|AR pathway|PSA pathway|N/A|CYP1A1 pathway|CYP1B1 pathway|Gen=Fatty Acid Synthase,Estrogen/progestogen Receptor |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Basophilic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|Oral Squamous Cell Carcinoma|Kidney Cancer|Renal Cell Adenocarcinoma|Melanoma|Amelanotic melanoma|malignant melanoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=Endocrinology & Hormones |
3D viewer |
Pubchem |
4REL 5AUX 5AV2 5AV3 |
5280863 |
520-18-3 |
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
IYRMWMYZSQPJKC-UHFFFAOYSA-N |
286.23000 |
C15H10O6 |
1.872 |
2 |
4 |
107.00 |
1.0 |
21 |
|
Kaempferol, a natural flavonol, functions as an ERR? and ERR? inverse agonist. It inhibits topoisomerase I catalyzed DNA religation and may also inhibit the activity of fatty acid synthase. |
Robigenin |
| Didemnin B Analogue |
natural product |
Didemnum cucliferum|Trididemnum solidum|Lyngbya majuscula|Tistrella mobilis |
Org=Oryctolagus cuniculus |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Colorectal Cancer|Colorectal Adenocarcinoma|Melanoma|malignant melanoma|NCI-60 panel|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Org=Oryctolagus cuniculus |
3D viewer |
Pubchem |
5LZS |
122651 |
77327-05-0 |
CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C3CCCN3C(=O)C(C)O)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O |
KYHUYMLIVQFXRI-SJPGYWQQSA-N |
1111.64000 |
C57H89N7O15 |
-4.0255 |
21 |
5 |
298.37 |
36.0 |
79 |
4 |
A phase II trial of didemnin B (NSC No. 325319) in advanced and recurrent cervical carcinoma: a Gynecologic Oncology Group study.|A specific binding site in Nb2 node lymphoma cells mediates the effects of didemnin B, an immunosuppressive cyclic peptide.|Phase II evaluation of didemnin B in advanced adenocarcinoma of the kidney. A Southwest Oncology Group study.|Evaluation of natural products as inhibitors of human immunodeficiency virus type 1 (HIV-1) reverse transcriptase.|A phase I clinical trial of didemnin B.|Didemnin B: a new immunosuppressive cyclic peptide with potent activity in vitro and in vivo. |
Didemnin B|UNII-OR65D8FK1B|OR65D8FK1B|77327-05-0|CHEBI:68856|NSC-325319|Didemnin A, N-(1-(2-hydroxy-1-oxopropyl)-L-prolyl)-, (S)-|C22H21ClN2O5|NSC325319|L-Tyrosine, N-(1-(N-(4-((3-hydroxy-4-((N-(N-(1-(2-hydroxy-1-oxopropyl)-L-prolyl)-N-methyl-L-leucyl)-L-threonyl)amino)-6-methyl-1-oxoheptyl)oxy)-2,5-dimethyl-1,3-dioxohexyl)-L-leucyl)-L-prolyl)-N,O-dimethyl-, phi-lactone|NorD|AC1L3V0F|CHEMBL414042|SCHEMBL1346816|DTXSID80228068|(2S)-N-(2R)-1-(3S,6S,8S,12S,13R,16S,17R,20S,23S)-13-(2S)-butan-2-yl-12-hydroxy-20-(4-methoxyphenyl)methyl-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo21.3.0hexacosan-16-ylamino-4-methyl-1-oxopentan-2-yl-1-(2S)-2-hydroxypropanoyl-N-methylpyrrolidine-2-carboxamide|LS-158298|BRD-K58977490-001-01-0|(2~{S})-~{N}-(2~{R})-1-(3~{S},6~{S},8~{S},12~{S},13~{R},16~{S},17~{R},20~{S},23~{S})-13-(2~{S})-butan-2-yl-20-(4-methoxyphenyl)methyl-6,17,21-trimethyl-3-(2-methylpropyl)-12-oxidanyl-2,5,7,10,15,19,22-heptakis(oxidanylidene)-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo21.3.0hexacosan-16-ylamino-4-methyl-1-oxidanylidene-pentan-2-yl-~{N}-methyl-1-(2~{S})-2-oxidanylpropanoylpyrrolidine-2-carboxamide|(2S)-N-(1R)-1-(3S,6S,8S,12S,13R,16S,17R,20S,23S)-12-hydroxy-3-isobutyl-8-isopropyl-20-(4-methoxyphenyl)methyl-6,17,21-trimethyl-13-(1S)-1-methylpropyl-2,5,7,10,15,19,22-heptaoxo-9,18-dioxa-1,4,14,21-tetrazabicyclo21.3.0hexacosan-16-ylcarbamoyl-3-methyl-butyl-1-(2S)-2-hydroxypropanoyl-N-methyl-pyrrolidine-2-carboxamide|L-Tyrosine, (2S)-2-hydroxypropanoyl-L-prolyl-N-methyl-D-leucyl-L-threonyl-(3S,4R,5S)-4-amino-3-hydroxy-5-methylheptanoyl-(2S,4S)-4-hydroxy-2,5-dimethyl-3-oxohexanoyl-L-leucyl-L-prolyl-N,O-dimethyl-, (9-4)-lactone| |
| Bufalin |
natural product |
Bufo gargarizans|Astragalus globiceps|Haplopappus venetus|Bufo bufo|Centaurea amara|Lecanora conizaeoides|Strychnos fendleri|Rhaponticum carthamoides|Hesperocyparis macrocarpa|Phebalium ozothamnoides|Gavia immer|Cortinarius rubellus|Buxus sempervirens|Cabucala madagascariensis|Artemisia oranensis|Aruncus dioicus|Alicyclobacillus cycloheptanicus|Saururus cernuus|Halimeda macroloba|Potentilla multifida|Vitex megapotamica|Vicia villosa|Lytanthus salicinus|Kochia trichophylla|Piper futokadsura|Pleurotus citrinopileatus|Streptomyces plumbeus|Hammada elegans|Dysoxylum lenticellatum |
Cholinesterase - Equus caballus | H(+)/Cl(-) exchange transporter 3 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Monocytic Leukemia |Acute Promyelocytic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Uterine Neoplasms|Endometrial Cancer |
3D viewer |
Pubchem |
4RES |
9547215 |
465-21-4 |
CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)O |
QEEBRPGZBVVINN-BMPKRDENSA-N |
386.25000 |
C24H34O4 |
-0.0973 |
4 |
2 |
66.76 |
5.0 |
28 |
5 |
Effect of bufalin and pregnanes on vasoreactivity of human resistance arteries.|Effects of sodium-transport inhibition in human resistance arteries.|A sensitive [Na,K]ATPase assay specific for inhibitors acting through the digitalis-binding site.|Involvement of Na+,K(+)-ATPase inhibition in K562 cell differentiation induced by bufalin.|Selective inhibitory effect of bufalin on growth of human tumor cells in vitro: association with the induction of apoptosis in leukemia HL-60 cells.|Cell cycle arrest and protein kinase modulating effect of bufalin on human leukemia ML1 cells. |
bufalin|465-21-4|UNII-U549S98QLW|3,14-Dihydroxy-bufa-20,22-dienolide|U549S98QLW|CHEBI:517248|3-beta,14-Dihydroxy-5-beta-bufa-20,22-dienolide|3beta,14beta-dihydroxy-5beta-bufa-20,22-dienolide|5beta, 20(22)-Bufadienolide-3beta, 14-diol|NSC 89595|BRN 5141601|Ch'an su|(3beta,5beta)-3,14-dihydroxybufa-20,22-dienolide|5-beta-BUFA-20,22-DIENOLIDE, 3-beta,14-DIHYDROXY-|SCHEMBL165666|CHEMBL399680|QEEBRPGZBVVINN-BMPKRDENSA-N|HY-N0877|ZINC4215121|HSCI1_000110|LMST01130001|AKOS015965454|CS-3694|SMP2_000290|AC-20197|5|A,20(22)-Bufadienolide-3|A,14-diol|3|A,14-Dihydroxy-5|A,20(22)-bufadienolide|5 beta,2022-Bufadienolide-3beta,14-diol|C16922|3beta,14-Dihydroxy-5 beta,2022-bufadienolide|BRD-K63606607-001-01-8|BRD-K63606607-001-02-6|5beta-Bufa-20,22-dienolide, 3beta,14-dihydroxy- (8CI)|(3beta,5beta,10alpha,17alpha)-3,14-dihydroxybufa-20,22-dienolide|Bufa-20,22-dienolide, 3,14-dihydroxy-, (3-beta,5-beta)- (9CI)|Bufa-20,22-dienolide, 3,14-dihydroxy-, (3beta,5beta)- (9CI)|5-((3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopentaaphenanthren-17-yl)-2H-pyran-2-one|5-(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopentaaphenanthren-17-ylpyran-2-one|BUF| |
| Methyl P-Hydroxycinnamyl Ketone |
natural product |
Inonotus obliquus|Alpinia blepharocalyx|Scutellariae barbatae herba |
Path=BCL2 pathway|BCL2L1 pathway|BIRC2 pathway|BIRC3 pathway|CCND1 pathway|CFLAR pathway|ICAM1 pathway|IKBKB pathway|MAP3K14 pathway|MMP9 pathway|MYC pathway|NFKB1 pathway|PTGS2 pathway|RELA pathway|TNFRSF1A pathway|TRADD pathway|TRAF2 pathway|VEGFA pathway|XIAP pathway|CHUK pathway|NFKBIA pathway|Org=Oryctolagus cuniculus | Escherichia coli |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Org=Oryctolagus cuniculus | Escherichia coli |
3D viewer |
Pubchem |
5N4Z |
796857 |
3160-35-8 |
CC(=O)C=CC1=CC=C(C=C1)O |
OCNIKEFATSKIBE-NSCUHMNNSA-N |
162.07000 |
C10H10O2 |
-0.3531 |
1 |
1 |
37.30 |
4.0 |
12 |
1 |
Quantum chemical- and 3-D-QSAR (CoMFA) studies of benzalacetones and 1,1,1-trifluoro-4-phenyl-3-buten-2-ones.|Quantitative structure-activity relationship studies for antioxidant hydroxybenzalacetones by quantum chemical- and 3-D-QSAR(CoMFA) analyses. |
p-Hydroxybenzalacetone|3160-35-8|4-hydroxybenzylideneacetone|4-Hydroxybenzal acetone|4-(4-Hydroxyphenyl)but-3-en-2-one|4-Hydroxybenzalacetone|4-Hydroxycinnamoylmethane|p-Hydroxybenzylidene acetone|4-(p-Hydroxyphenyl)-3-buten-2-one|3-Buten-2-one, 4-(4-hydroxyphenyl)-|3-Buten-2-one, 4-(p-hydroxyphenyl)-|p-hydroxyphenylbut-3-ene-2-one|22214-30-8|(E)-4-(4-hydroxyphenyl)but-3-en-2-one|NSC 26516|(3E)-4-(4-hydroxyphenyl)but-3-en-2-one|1-(4-Hydroxybenzylidene)acetone|OCNIKEFATSKIBE-NSCUHMNNSA-N|4(4-hydroxy-phenyl)-but-3-en-2-one|(~{E})-4-(4-hydroxyphenyl)but-3-en-2-one|4-HYDROXYBENZILIDENE ACETONE|EINECS 221-607-9|AC1LGLMD|3-Buten-2-one,4-(4-hydroxyphenyl)-, (3E)-|AI3-30539|AI3-35956|AC1Q5CPT|AC1Q1JB7|3-Buten-2-one, 4-(4-hydroxyphenyl)-, (E)-|4-Hydroxybenzylidene acetone|CHEMBL9184|4-Hydroxystyryl methyl ketone|SCHEMBL807859|p-hydroxyphenylbut-3ene-2-one|Methyl P-Hydroxycinnamyl Ketone|DTXSID2062878|CHEBI:68636|CS-B1377|NSC26516|MFCD00016490|NSC-26516|STL506899|ZINC12341464|AKOS005207153|L730|SC-80308|(E)-4-(4-Hydroxyphenyl)-3-buten-2-one|TC-168783|4-(4'-hydroxyphenyl)-(e)-3-buten-2-one|C12088|I01-3606|J-018486|8MK| |
| Mercaptopurine |
natural product |
Origanum dictamnus|allium porrum|Entada africana|Lantana fucata |
Gen=DNA/RNA Synthesis|Cellular tumor antigen p53 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Transcriptional regulator ERG - Homo sapiens | Androgen Receptor - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | Cyclooxygenase-1 - Homo sapiens | Solute carrier family 22 member 8 - Rattus norvegicus | Lysine-specific demethylase 4D-like - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Survival motor neuron protein - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Lysine-specific demethylase 4A - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Purine nucleoside phosphorylase - Mycobacterium tuberculosis |Org= Mycobacterium avium subsp. paratuberculosis | Plasmodium falciparum | Escherichia coli | Leishmania amazonensis | Bacillus anthracis | Mycobacterium avium |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Non-small Cell Lung Cancer|Bronchioalveolar Carcinoma|Gen=DNA Damage |
3D viewer |
Pubchem |
3BGD 3NS1 |
667490 |
50-44-2 |
C1=NC2=C(N1)C(=S)N=CN2 |
GLVAUDGFNGKCSF-UHFFFAOYSA-N |
152.02000 |
C5H4N4S |
0.0906 |
4 |
1 |
93.26 |
1.0 |
10 |
2 |
Responses to drug therapy in ulcerative colitis. Evaluation by rectal biopsy and histopathological changes.|Monitor of chemotherapy in gestational trophoblastic neoplasm by radioimmunoassay of the beta-subunit of human chorionic gonadotropin.|Fulminant hepatic failure in leukaemia and choriocarcinoma related to withdrawal of cytotoxic drug therapy.|Enhancing effect by metabolic inhibitors on the killing of tumor cells by antibody and complement.|Cytotoxic drug-induced lung disease.|[Modification of the immune reaction by antigen-immunosuppressive-agent conjugates. II. Immunogenicity of antigen-immunosuppressive-agent conjugates]. |
6-Mercaptopurine|mercaptopurine|50-44-2|Mercapurin|Purinethol|6-Thiopurine|Leukerin|Leupurin|Mercaleukin|6-Thioxopurine|Puri-Nethol|Ismipur|Mern|6-Thiohypoxanthine|6-Mercaptopurin|6-Purinethiol|7H-purine-6-thiol|Purimethol|Purinethiol|6-MP|Purine-6-thiol|3H-Purine-6-thiol|6 MP|9H-Purine-6-thiol|Mercaleukim|1,9-dihydro-6H-purine-6-thione|Mercaptopurina|Mercaptopurinum|Hypoxanthine, thio-|Mercaptopurine (6-MP)|3,7-dihydropurine-6-thione|1,7-Dihydro-6H-purine-6-thione|Mercaptopurin|Merkaptopuryna|6H-Purine-6-thione, 1,7-dihydro-|Xaluprine|6-Merkaptopurin|Purine, 6-mercapto-|9H-Purine-6(1H)-thione|Mercaptopurine anhydrous|Purine-6(1H)-thione|Mercaptopurine (VAN)|NCI-C04886|Mercaptopurin German|Merkaptopuryna Polish|7-Mercapto-1,3,4,6-tetrazaindene|6-Merkaptopurin Czech|Mercaptopurine (anhydrous)|1H-Purine, 6-mercapto-|NSC 755|Mercaptopurinum INN-Latin|Mercaptopurina INN-Spanish|U-4748|NSC-755|UNII-PKK6MUZ20G|C5H4N4S|CCRIS 2761|NSC755|HSDB 3235|Purinethol (TN)|EINECS 200-037-4|PKK6MUZ20G|1,9-dihydropurine-6-thione|CHEBI:2208|GLVAUDGFNGKCSF-UHFFFAOYSA-N|DSSTox_CID_810|DSSTox_RID_75801|DSSTox_GSID_20810|157930-13-7|157930-14-8|Purixan|thiohypoxanthine|Leupu rin|CAS-50-44-2|SMR000544948|Mercaptopurine, 6-|Mercaptopurine (INN)|SR-05000001925|NCIMech_000025|1H-purine-6(7H)-thione|9H-Purin-6-yl hydrosulfide|Mercaptopurine;|Mercaptopurine USAN:USP:INN|6-Mercaptoadenine|PubChem9680|Spectrum_000921|ACMC-1AUNA|Spectrum2_000060|Spectrum3_000491|Spectrum4_000857|Spectrum5_000950|M0063|H-Purine-6(1H)-thione|Leukerin, 99% - Carc|AC1LDI73|SCHEMBL3893|CHEMBL1425|BSPBio_001981|KBioGR_001493|KBioGR_002363|KBioSS_001401|KBioSS_002366|AG-670/31547064|KSC270A9L|MLS001066623|MLS001304020|MLS001304953|MLS006011869|ARONIS27054|DivK1c_000493|SPECTRUM1500387|SPBio_000219|GTPL7226|SCHEMBL2790086|7H-Purin-6-yl hydrosulfide #|6112-76-1 (monohydrate)|DTXSID0020810|SCHEMBL12683725|CHEBI:50667|CHEBI:94796|CTK1H0095|CTK8A7797|HMS501I15|KBio1_000493|KBio2_001401|KBio2_002363|KBio2_003969|KBio2_004931|KBio2_006537|KBio2_007499|KBio3_001481|KBio3_002842|7-Mercapto-1,4,6-tetrazaindene|cMAP_000033|NINDS_000493|Purinethol;6-mercaptopurine;6-MP|3,7-dihydro-6H-purine-6-thione|6,7-dihydro-3H-purine-6-thione|HMS1920L07|HMS2091B20|HMS2236L06|HMS3259N03|HMS3369M05|HMS3651G07|HMS3713N10|Pharmakon1600-01500387|ACT11542|EBD16256|KS-000048JV|ZINC4658290|Tox21_111158|Tox21_202591|6450AJ|ANW-30999|ANW-57555|BBL033743|BDBM50423778|CCG-35344|CCG-39915|EBD540779|LS-141|NSC759614|s1305|SBB037953|STK727062|STL257085|6-Mercaptopurine, analytical standard|WLN: T56 BM DN FN HNJ ISH|AKOS000170222|AKOS000275858|AKOS005224624|AKOS008901311|AKOS016903205|Tox21_111158_1|AM81386|AN-6979|CM-1232|CS-1499|DB01033|LS20858|MCULE-4811219863|NC00613|NSC-759614|RP21622|RTR-021065|IDI1_000493|NCGC00091641-02|NCGC00091641-03|NCGC00091641-04|NCGC00094717-01|NCGC00094717-02|NCGC00094717-03|NCGC00094717-05|NCGC00094717-06|NCGC00188973-01|NCGC00260139-01|AC-11464|AJ-51833|AN-24375|AS-13109|BC202313|CPD000544948|H348|HY-13677|NCI60_041653|SAM002589937|SC-04873|SMR004703503|ST086505|ST086506|SBI-0051437.P004|AB0013000|AB0119973|AB2000041|DB-026398|TR-021065|4CH-021382|BB 0241023|FT-0083571|FT-0621175|SW199090-2|EN300-61517|1766-EP2270008A1|1766-EP2272827A1|1766-EP2272832A1|1766-EP2277876A1|1766-EP2292614A1|1766-EP2292617A1|1766-EP2295409A1|1766-EP2295426A1|1766-EP2295427A1|1766-EP2298768A1|1766-EP2298778A1|1766-EP2308833A2|1766-EP2308855A1|1766-EP2308861A1|1766-EP2314590A1|1766-EP2316834A1|1766-EP2374454A1|50M442|C01756|C02380|D04931|W-5114|15150-EP2272827A1|15150-EP2275420A1|15150-EP2295055A2|15150-EP2295416A2|15150-EP2298748A2|15150-EP2298764A1|15150-EP2298765A1|15150-EP2305642A2|15150-EP2305679A1|15150-EP2308833A2|15150-EP2311453A1|15150-EP2311825A1|15150-EP2311840A1|15150-EP2311842A2|15150-EP2316832A1|15150-EP2316833A1|21414-EP2270006A1|21414-EP2270014A1|21414-EP2272509A1|21414-EP2272847A1|21414-EP2275413A1|21414-EP2277874A1|21414-EP2284158A1|21414-EP2287156A1|21414-EP2287159A1|21414-EP2295439A1|21414-EP2311818A1|21414-EP2314295A1|AB00171799_05|AB00641894-03|AB00641894-04|AB00641894_05|AB00876276-13|233D552|462M721|599M524|A828129|I14-1716|SR-05000001925-1|SR-05000001925-2|W-105961|purine antimetabolite: inhibits nucleic acid replication|1,9-Dihydropurine-6-thione DISCONTINUED, see M225450|39454-94-9|5759-99-9|5818-33-7|5818-60-0| |
| Sakuranetin |
natural product |
Chromolaena odorata|Diplopterygium glaucum|Lobophytum durum|Streptomyces matensis|Streptomyces versipellis|Solidago spathulata|Ixeris debilis|Nematochrysopsis roscoffensis|Abies pinsapo var. marocana|Eupatorium leucolepis|Swartzia leiocalycina|Pterolobium hexapetalum|Remirea maritima|Mucuna holtonii|Parmotrema nilgherrense|Lonchocarpus chiricanus|Salvia virgata|Hardenbergia violacea|Allantophomopsis lycopodina|Sinapis alba|Astragalus circassicus|Maclura cochinchinensis|Adenothamnus validus|Dorstenia foetida|Solanum crispum|Orthosiphon spicatus|Laurencia rigida|Dittrichia viscosa|Matricaria sabulosa|Stereocaulon azoreum|Vaccinium ashei|Croton gratissimus|Ophryosporus macrodon|Cyanostegia angustifolia|Mimosa pigra|Sphaeria rousseliana|Salvia lavanduloides|Gracilaria lichenoides|Maytenus chuchuhuasha|Barnettia kerrii|Erythrina hypaphorus|Pterocaulon serrulatum|Heterocentrotus mammillatus|Crescentia alata|Neolitsea daibuensis|Rhizophora mangle|Boswellia ovalifoliolata|Schizophyllum lobatum|Matsucoccus josephi|Lemonia spectabilis|Trididemnum cyanophorum|Euphrasia genargentea|Campanula choziatowskyi|Centaurea sonchifolia|Solanum lanceolatum|Salvia patens|Tephrosia elata|Ranunculus asiaticus|Cynoglossum macrostylum|Neopringlea integrifolia|Artemisia canariensis|Scaphander lignarius|Lachnum papyraceum|Cynops ensicauda|Bryonia alba|Preussia terricola|Lecanora atra|Orgyia pseudotsugata|Dysidea fragilis|Eurycoma harmandiana|Sesbania grandiflora|Angelica edulis|Etmopterus spinax|Petunia axillaris subsp. parodii|Wikstroemia viridiflora|Morus macroura|Liatris mucronata|Senecio platyphylloides|Brenania brieyi|Lactarius mitissimus|Macaranga triloba|Myristica moschata|Nepytia freemani|Delphinium confusum|Halobacillus litoralis|Epipedobates anthonyi|Cicer bijugum|Salix alba|Streptomyces aureoverticillatus|Crinum bulbispermum|Xylosma longifolia|Heliotropium scabrum|Glycine max|Iris kashmiriana|Mentzelia decapetala|Carpha glomerata|Rubus vestii|Aaptos ciliata|Abies excelsa|Colchicum filifolium|Bethencourtia palmensis|Arenaria kumaonensis|Pulsatilla chinensis|Dactylorhiza viridis|Quercus marilandica|Thalassiosira weissflogii|Podocarpus dacrydioides|Cinchona calisaya|piper sp.|Euphorbia hylonoma|Arnica mollis|Viburnum erubescens|Oxytropis falcata|Eriodictyon californicum|Angelica acutiloba|Brassica carinata|Achlya heterosexualis|Amorphophallus konjac|Microtropis japonica|Garcinia conrauana|Glycosmis arborea|Cybister lateralimarginalis|Pecten opercularis|Dodonaea viscosa|Dialium excelsum|Procambarus clarkii|Xanthorhiza simplicissima|Cabucala erythrocarpa|Polyporus tumulosus|Lepechinia urbanii|Beilschmiedia madang|Botrytis cinerea|Baccharis trimera|Esox lucius|Chrysosporum ovalisporum|Azospirillum halopraeferens|Lysimachia fordiana|Schisandra sphaerandra|Raphanus raphanistrum|Helleborus macranthus|Salix rosmarinifolia|Prunus maximowiczii|Eucalyptus resinifera|Drymaria cordata|Streptomyces avermitilis ma-4680|Geum urbanum|Aniba santalodora|Drimia fugax|Ampelocera edentula|Salvia triloba|Marasmiellus troyanus|Achyranthes aspera|Ocypus olens|Centaurea scoparia|Boesenbergia pandurata|Fraxinus mandshurica|Alternaria macrospora|Phlebiopsis gigantea|Phebalium bilobum|Betula davurica|Prunus serrulata var. spontanea|Delphinium occidentale|Rubia akane |
Xanthine dehydrogenase - Bos taurus | Nitric oxide synthase, inducible - Mus musculus | Taste receptor type 2 member 31 - Homo sapiens | Sialidase 2 - Homo sapiens |Org= Bacillus subtilis | Cladosporium cladosporioides | Trypanosoma cruzi | Micrococcus luteus | Mycobacterium tuberculosis | Biomphalaria glabrata | Escherichia coli |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Non-small Cell Lung Cancer|Lewis Lung carcinoma |Org=Bacillus subtilis | Cladosporium cladosporioides | Trypanosoma cruzi | Micrococcus luteus | Mycobacterium tuberculosis | Biomphalaria glabrata | Escherichia coli |
3D viewer |
Pubchem |
3D04 |
73571 |
7-O-Methylnaringenin |
COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)O |
DJOJDHGQRNZXQQ-AWEZNQCLSA-N |
286.08000 |
C16H14O5 |
-1.4059 |
1 |
2 |
75.99 |
5.0 |
21 |
3 |
Trypanocidal flavonoids from Trixis vauthieri.|Methionine-induced phytoalexin production in rice leaves.|The rice (Oryza sativa) blast lesion mimic mutant, blm, may confer resistance to blast pathogens by triggering multiple defense-associated signaling pathways.|Regiospecific flavonoid 7-O-methylation with Streptomyces avermitilis O-methyltransferase expressed in Escherichia coli.|Differential expression of defense/stress-related marker proteins in leaves of a unique rice blast lesion mimic mutant (blm).|Anti-inflammatory activity of flavonoids from Populus davidiana. |
Sakuranetin|(2S)-sakuranetin|2957-21-3|7-O-Methylnaringenin|(S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychroman-4-one|Naringenin 7-methyl ether|UNII-3O38P61299|5,4'-Dihydroxy-7-methoxyflavanone|4',5-Dihydroxy-7-methoxyflavanone|CHEMBL448297|CHEBI:28927|(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one|3O38P61299|(S)-(-)-4',5-dihydroxy-7-methoxyflavanone|5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chroman-4-one|EINECS 220-980-5|NSC 407228|AC1Q6KIJ|AC1L2K3P|GTPL412|SCHEMBL555542|Sakuranetin, analytical standard|3d04|ZINC338284|5,4''-dihydroxy-7-methoxyflavanone|BDBM50312648|LMPK12140571|AKOS027321114|DB08517|4h-1-benzopyran-4-one, 2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-,(2s)-|(2S)-4',5-dihydroxy-7-methoxyflavanone|AJ-19903|ZB010902|FT-0081262|FT-0650767|(2S)-5,4'-dihydroxy-7-methoxyflavan-4-one|C09833|Flavanone, 4',5-dihydroxy-7-methoxy-, (S)-(-)- (8CI)|(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chroman-4-one|(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychroman-4-one|(2S)--5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one|(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one|(S)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one|4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-, (2S)-|4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-, (S)- (9CI)| |
| Sophoraflavanone G |
natural product |
Sophora flavescens|Asimina parviflora|Pteridium esculentum|Vernonia fagifolia|Latrunculia magnifica|Helichrysum tenuifolium|Aplophyllum alberti-regelii|Syzygium polycephaloides|Embelia schimperi|Sophora alopecuroides|Abelia chinensis|Epilobium hirsutum|Ephedra sinica|Myxococcus stipitatus|Lemaireocereus longispinus|Centaurea maculosa|Embelia parviflora|Onopordum acanthium|Hypericum styphelioides|Plathymenia reticulata|Drynariae rhizoma|Lythrum salicaria|Planchonia grandis|Clerodendrum bungei|Atraphaxis spinosa|Simarouba glauca|Gymnocalycium schickendantzii|Vellozia nanuzae|Erysimum leptophyllum|Sophora pachycarpa|Esenbeckia leiocarpa|Rhinella marina|Sophora moorcroftiana|Diospyros assimilis|Sophora exigua|Sophora leachiana|Erythrina melanacantha|Morella rubra|Theonella conica|Dolabella californica|Eria anomala|Pancratium sickenbergeri|Haplophyllum obtusifolium|Shigella dysenteriae|Monsonia senegalensis|Siphonaria capensis|Lycogala epidendrum|Cordia leucocephala|Piper regnellii|Dendronephthya griffini|Baccharis neglecta|Conus mus|Euphorbia nematocypha|Tricholoma columbetta|Faramea salicifolia|Chondrodendron tomentosum |
Sodium/glucose cotransporter 2 - Homo sapiens | Beta-secretase 1 - Homo sapiens | Sodium/glucose cotransporter 1 - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Breast Carcinoma|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Esophageal and Esophagogastric Junction Cancers|Esophageal squamous cell carcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Melanoma|malignant melanoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Prostate Cancer|prostate Carcinoma|Skin Cancer|Skin Epidermoid Carcinoma |
3D viewer |
Pubchem |
|
72936 |
97938-30-2 |
CC(=CCC(CC1=C(C=C(C2=C1OC(CC2=O)C3=C(C=C(C=C3)O)O)O)O)C(=C)C)C |
XRYVAQQLDYTHCL-CMJOXMDJSA-N |
424.19000 |
C25H28O6 |
0.5129 |
1 |
4 |
107.22 |
13.0 |
31 |
3 |
The antiulcer action of sophora and the active constituent in Sophora. II. The antiulcer action of vexibinol.|Inhibition of the growth of cariogenic bacteria in vitro by plant flavanones.|8-dimethylallylnaringenin 2'-hydroxylase, the crucial cytochrome P450 mono-oxygenase for lavandulylated flavanone formation in Sophora flavescens cultured cells.|Antimicrobial activity of prenylflavanones.|Effects of sophoraflavanone G, a prenylated flavonoid from Sophora flavescens, on cyclooxygenase-2 and in vivo inflammatory response.|Na+-glucose cotransporter (SGLT) inhibitory flavonoids from the roots of Sophora flavescens. |
Sophoraflavanone G|Vexibinol|97938-30-2|(2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl-2,3-dihydro-4H-chromen-4-one|norkurarinone|CHEMBL243148|CHEBI:50209|(2S)-5,7,2',4'-tetrahydroxy-8-lavandulylflavanone|Kushnol F|(2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl-2,3-dihydrochromen-4-one|4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(2,4-dihydroxyphenyl)-8-(5-methyl-2-(1-methylethenyl)-4-hexenyl)-, (S-(R*,S*))-|(-)-Vexibinol|AC1L2IZW|AC1Q6KIL|SCHEMBL2228023|CTK5H9601|DTXSID10243345|ZINC2008850|BDBM50208611|AKOS032948438|ACN-046988|LS-39548|124858-43-1|352220-39-4|36545-61-6|4H-1-Benzopyran-4-one,2-(2,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-8-(2R)-5-methyl-2-(1-methylethenyl)-4-hexen-1-yl-,(2S)-|99211-14-0| |
| (+)-Abscisic Acid |
natural product |
Axinella polypoides|Salicornia herbacea|Myristica cagayanensis|Sicana odorifera|Trichoscypha acuminata|Michelia longifolia|Aglaia pyramidata|Ligusticum lucidum|Sophora leachiana|Streptomyces eurocidicus|Fagus fusca|Syringa pubescens subsp. patula|Ecballium elaterium|Notechis scutatus|Senecio gilliesi|Morinda coreia|Passiflora morifolia|Artemisia laciniata|Datisca glomerata|Thielavia terricola|Celastrus monospermus|Euonymus atropurpurea|Tylophora tanakae|Myristica argentea|Cynoctonum wilfordii|Rhodococcus ruber|Aconitum fauriei|Lycium schickendantzii|Phyllanthus oligospermus|Herbertus aduncus|Isodon glutinosus|Eutrochium purpureum|Dacrycarpus imbricatus|Eupatorium recurvans|Cheilanthes mysurensis|Rhizoma dioscoreae|Bupleurum aureum|Ritterella rete|Lactarius subpiperatus|Microctis folium|Mycosphaerella asteroma|Uraria picta|Zanthoxylum simulans|Cylas formicarius|Iotrochota purpurea|Acronychia laurifolia|Ecklonia kurome|Libanothamnus occultus|Erlangea cordifolia|Conium maculatum|Hubertia tomentosa|Strychnos panamensis|Spiraea formosa|Streptomyces platensis|Alternaria infectoria|Hordeum vulgare|Parmelia zollingeri|Betula platyphylla|Capparis ovata|Isatis tinctoria|Bridelia moonii|Clathria prolifera|Castanopsis hystrix|Saccharina japonica|Lonchocarpus urucu|Gaillardia tontalensis|Stigmodera macularia|Lonicera japonica|Quercus imbricaria|Hosta sieboldiana|Cassine papillosa|Pteris plumbea|Helichrysum auriceps|Ophidiaster ophidianus|Egregia menziesii|Laurencia claviformis|Metridium senile|Callitris macleayana|Prunus davidiana|Uroblaniulus canadensis|Croton montevidensis|Solanum spirale|Phebalium dentatum|Othonna intermedia|Prunus persica|Solanum andigena|Pityrodia ternifolia|Suaeda salsa|Xanthoria parietina|Artemisia arbuscula|Duddingtonia flagrans|Thalictrum fauriei|Echinus microtuberculatus|Talipariti tiliaceum|Inula salsoloides|Schrebera swietenoides|Asteriscus aquaticus|Plakortis simplex|Tephrosia bidwilli|Ligustrum obtusifolium|Campanula alata|Vernonia lilacina|Conus pulicarius|Cinnamomum subavenium|Goupia tomentosa|Sessibugula translucens|Aglaia cordata|Viviparus japonicus|Lotus ucrainicus|Alstonia undulifolia|Pseudowintera colorata|Asclepias subulata|Streptomyces argillaceus|Doris montereyensis|Helichrysum zeyheri|Spiracantha cornifolia|Dysidea villosa|Tetraploa aristata|nigrospora sp. psu-f5|Euclea natalensis|Morus australis|Polygonum flaccidum|Picea jezoensis|Psiadia arabica|Hortonia floribunda|Agave deserti|Sorbus coronata|Cybister confusus|Acronychia acidula|Streptomyces flaveus|Rhizopus stolonifer|Charpentiera obovata|Nephrolepis biserrata|Dickeya chrysanthemi|Acanthamoeba culbertsoni|Citrus reshni|Scrophularia koelzii|Bacillus amyloliquefaciens|Luvunga scandens|Othonna cylindrica|Pertusaria pseudocorallina|Jacobaea cannabifolia|Camchaya calcarea|Senecio taiwanensis|Cosmopolites sordidus|Meiothermus ruber|Myelobia smerintha|Dioscorea olfersiana |
Gen=Others|Nuclear factor erythroid 2-related factor 2 - Homo sapiens |Org= Plasmodium falciparum|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus | Cytochrome P450 monooxygenase - Arabidopsis thaliana | Thyroid stimulating hormone receptor - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Androgen Receptor - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Interleukin-8 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens |Org= Triticum aestivum|Org=Lepidium sativum | Lactuca sativa | Arabidopsis thaliana | Oryza sativa | Spinacia oleracea |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|Acute Myeloid Leukemia|Gen=Others |
3D viewer |
Pubchem |
4MKV 3K3K 4DS8 4DSC |
5280896 |
21293-29-8 |
CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C |
JLIDBLDQVAYHNE-YKALOCIXSA-N |
264.14000 |
C15H20O4 |
1.783 |
4 |
2 |
74.60 |
9.0 |
19 |
1 |
[Uptake of (14C) leucine and protein synthesis in potato tuber buds and effect of abscisic acid on these processes].|Effects of some tricyclic psychopharmacons and structurally related compounds on motility of Proteus vulgaris.|Late embryogenesis-abundant genes encoding proteins with different numbers of hydrophilic repeats are regulated differentially by abscisic acid and osmotic stress.|Analysis of structure and transcriptional activation of an osmotin gene.|A desiccation-related Elip-like gene from the resurrection plant Craterostigma plantagineum is regulated by light and ABA.|Developmental and environmental concurrent expression of sunflower dry-seed-stored low-molecular-weight heat-shock protein and Lea mRNAs. |
21293-29-8|ABSCISIC ACID|Abscisin II|(S)-(+)-Abscisic acid|(+)-Abscisic acid|(2Z,4E)-5-((S)-1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid|Dormin (VAN)|(2Z,4E)-5-(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl-3-methylpenta-2,4-dienoic acid|(+)-cis,trans-Abscisic Acid|Abscisic Acid (Dormin)|Acide abscisique French|(+)-(S)-Abscisic Acid|2-cis,4-trans-Abscisic acid|UNII-72S9A8J5GW|Dormin|72S9A8J5GW|CHEBI:2365|(+)-S-ABA|(+/-)-cis,trans-abscisic acid|(+)-ABA|JLIDBLDQVAYHNE-YKALOCIXSA-N|ABA|(+)-(S)-ABA|EINECS 244-319-5|NSC 146877|NSC 148832|BRN 2698956|Dormin (abscission factor)|2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, (S-(Z,E))-|cis-trans-(+)-Abscissic acid|(7E,9Z)-(6S)-6-hydroxy-3-oxo-11-apo-epsilon-caroten-11-oic acid|Abscisate|(S-(Z,E))-5-(1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid|Acide abscisique|(+)-Abscisicacid|A8S|abscisic-acid-dormin|( inverted exclamation markA)-Abscisic acid|(1S)-Abscisic acid|AC1NQXQY|3w9r|S-ABA|SCHEMBL33612|(+)-cis, trans-Abscisic acid|CHEMBL288040|Abscisic Acid (Dormin pound(c)|DTXSID0036766|BDBM85037|(+)-(cis,trans)-Abscisic Acid|(2Z,4E)-5-(1S)-1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl-3-methyl-2,4-pentadienoic acid|(S)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-(2Z,4E)-pentadienoic acid|ZINC4492870|0838AB|CA-164|s7594|(+)-cis,trans-Abscisic Acid, 98%|AKOS016010487|SMP2_000105|(+)-Abscisic acid, >=98% (HPLC)|(.+/-.)-2-cis-4-trans-Abscisic acid|AJ-51216|AK116515|AS-10063|CAS_14375-45-2|LS-101427|ST24034196|A-0120|C06082|M01286|(+)-Abscisic acid, analytical reference material|BRD-K80342836-001-01-2|660B2F57-E391-4B41-B607-EDDC95482FD0|UNII-3B18Y5RNGK component JLIDBLDQVAYHNE-YKALOCIXSA-N|(2Z,4E)-(S)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-2,4-pentanedienoic acid|(S-(Z,E))-5-(1-Hydroxy-2,6,6-trimethyl)-4-oxo-2-cyclohexen-1-yl-3-methyl-2,4-pentadienoic Acid|11010-88-1|11027-12-6|11038-32-7|14488-90-5|16669-24-2|18463-18-8|22330-12-7|34612-56-1| |
| Hispidulin |
natural product |
Tithonia diversifolia|Artemisia vestita|Scoparia dulcis|Warionia saharae|Achillea serbica|Senecio microglossus|Herba seu radix cirsii japonici|Werneria stuebelii|Salvia plebeia|Alstonia pneumatophora|Selaginella apoda|Salvia officinalis|Xylosma longifolia|Ledebouria floribunda|Papaver somniferum|Pyrus pyrifolia|Scutellaria przewalskii|Chondrococcus hornemanni|Clerodendron indicum|Cortinarius infractus|Hypericum hirsutum|Eriocaulon buergerianum|Polygonatum prattii|Nepeta hindostana|Trichoderma roseum|Euodia lunu-ankenda|Echinocereus blanckii|Lycopus lucidus|Kitasatospora kifunensis|Iva frutescens|Physostigma venenosum|Kniphofia pumila|Digitalis lanata|Muraltia heisteria|Baccharis trimera|Monodora grandiflora|Heterocentrotus mammillatus|Pseudognaphalium affine|Glycyrrhiza uralensis|Turbinellus floccosus|Leptogorgia gilchristi|Omphalotus nidiformis|Dacryodes normandii|Herba lagotidis|Peperomia villipetiola|Micromeria japonica|Chaenomeles cathayensis|Gaylussacia frondosa|Sinapis nigra|Phyla nodiflora|Mulguraea tridens|Isatdis radix|Saussurea involucrata|Millingtonia hortensis|Barleria acanthoides|Mikania congesta|Helenium autumnale|Scutellariae barbatae herba|Ambrosia hispida|Fischerella muscicola|Climacostomum virens|Triticum estivum|Wikstroemiae indicae rasix|Scutellaria barbata|Actinoplanes awajinensis|Bauhinia splendens|Puccinia coronata|Artemisia argyi|Eriocauli flos|Citrus sudachii|Siphocampylus foliosus|Satureja odora|Cribrochalina dura|Saussureae involucratae herba|Fructus kochiae|Enicostema littorale|Hexalobus crispiflorus|Laurencia thyrsifera|Flourensia cernua|Radix cirsii japonici|Clerodendron fragrans|Leucaena leucocephala|Pachyrhizus tuberosus|Drosera spatulata|Glycyrrhiza glabra var. typica|Plantaginis semen|Uncaria sessilifructus|Gibberella lateritium|Asphodelus tenuifolius|Papaver sommiferum|Belamcandae rhizome|Centaurea collina|Eriodictyon californicum|Euonymus nanus|Torreya fargesii var. yunnanensis|Digitalis ferruginea|Plantaginis herba|Oroxyli semen|Abrus precatorius|Crepis pygmaea|Myrtopsis novae-caledoniae|Gentiana thunbergii|Breea segeta|Flos inulae|Mangifera gabonensis|Hunteria zeylanica|Rhodopirellula baltica|Anthemis pseudocotula|Cirsium setosum|Teclea boiviniana|Podocarpus mannii|Fusarium sambucinum|Pouteria sapota|Erythroxylum microphyllum|Solidago spathulata|Lissoclinum fragile|Delphinium hybr|Vernonia pachyclada|Tsuga heterophylla|Ocotea heterochroma|Jaspis digonoxea|Fusarium vasinfectum|Rabdosia weisiensis|Centipeda minima|Albizia amara|Cordia elaeagnoides|Bombyx mori|Siphonoglossa mexicana|Plantago depressa|Cirsium japonicum|Isodon leucophyllus|Persicaria hydropiper|Eupatorium perfoliatum|Vaccinium ashei|Riccia fluitans|Aspergillus unilateralis|Phaenocoma prolifera|Penicillium lapidosum|Tolypothrix byssoidea|Eriocaulon sieboldianum|Glycine max|Usnea aciculifera|Ibervillea sonorae|Engleromyces goetzei|Eupatorium leucolepis|Procambarus clarkii|Gastrophysa cyanea|Heterochordaria abietina|Veronicastrum virginicum|Anabaena sphaerica|Aloe nobilis|Senecio tricephalus|Arenaria kumaonensis|Knautia silvatica|Herba cirsii japonici|Alluaudia ascendens|Santalum album|Ptelea viscosa|Flindersia dissosperma|Marrubium globosum|Phyllanthus discoides |
Path=BCL2 pathway|BCL2L1 pathway|BIRC5 pathway|KDR pathway|PIK3CA pathway|VEGFA pathway|AKT1 pathway|Glucose transporter - Homo sapiens | Hexose transporter 1 - Plasmodium falciparum | Nonstructural protein 1 - Influenza A virus | Neuraminidase - Influenza A virus (A/Puerto Rico/8/1934(H1N1)) | Adenosine A1 receptor - Rattus norvegicus | Cell division protein kinase 5 - Rattus norvegicus | Microtubule-associated protein tau - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Avian myoblastosis virus polyprotein II - Avian myeloblastosis virus | Serine-protein kinase ATM - Homo sapiens | Neuraminidase - Influenza A virus | Serine/threonine-protein kinase PIM1 - Homo sapiens | Glucose transporter - Leishmania mexicana | Ras-related protein Rab-9A - Homo sapiens | DNA polymerase kappa - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | Cellular tumor antigen p53 - Homo sapiens | Niemann-Pick C1 protein - Homo sapiens | FAD-linked sulfhydryl oxidase ALR - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | Adenosine A2a receptor - Rattus norvegicus | Parathyroid hormone receptor - Homo sapiens | Peroxisome proliferator-activated receptor gamma - Mus musculus | Nuclear receptor subfamily 0 group B member 1 - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | DNA polymerase beta - Homo sapiens |Org= Plasmodium falciparum | Mycobacterium tuberculosis H37Rv | Bacillus subtilis | Influenza A virus | Hepatitis C virus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Human umbilical vein endothelial cell|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Org=Plasmodium falciparum | Mycobacterium tuberculosis H37Rv | Bacillus subtilis | Influenza A virus | Hepatitis C virus |
3D viewer |
Pubchem |
4XH6 |
5281628 |
1447-88-7 |
COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)O |
IHFBPDAQLQOCBX-UHFFFAOYSA-N |
300.06000 |
C16H12O6 |
-1.9363 |
1 |
3 |
96.22 |
6.0 |
22 |
3 |
Hispidulin, a natural flavone, inhibits human platelet aggregation by increasing cAMP levels.|Antitumor activity of flavones isolated from Artemisia argyi.|Effects of natural flavones and flavonols on the kinase activity of Cdk5.|Microsphere-based protease assays and screening application for lethal factor and factor Xa.|Evaluation of natural antioxidants of Leuzea carthamoides as a result of a screening study of 88 plant extracts from the European Asteraceae and Cichoriaceae.|Anti-inflammatory and immunosuppressive effect of flavones isolated from Artemisia vestita. |
Hispidulin|Dinatin|1447-88-7|4',5,7-Trihydroxy-6-methoxyflavone|Scutellarein 6-methyl ether|6-O-Methylapigenin|5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one|TCMDC-123942|4H-1-BENZOPYRAN-4-ONE, 5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-6-METHOXY-|6-methoxyapigenin|NSC 122415|NSC122415|NSC-122415|Flavone, 4',5,7-trihydroxy-6-methoxy-|CHEMBL293776|UNII-N7F61604C2|CHEBI:75902|N7F61604C2|5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one|Q-100165|5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxychromen-4-one|5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-chromen-4-one|methoxyapigenin|CCRIS 8484|6-methoxy apigenin|hispidulin(dinatin)|6-methylscutellarein|AC1NQYRM|Oprea1_873387|MLS000728540|SCHEMBL514926|MEGxp0_000683|Hispidulin, >=98% (HPLC)|ACon1_000933|cid_5281628|CTK8G0189|KS-00001FKN|DTXSID30162786|PubChem SID: 26725244|IHFBPDAQLQOCBX-UHFFFAOYSA-N|4',7-Trihydroxy-6-methoxyflavone|HMS2223A03|HMS3344G13|HY-N1950|ZINC5732241|Flavone,5,7-trihydroxy-6-methoxy-|BDBM50049395|LMPK12111159|4?,5,7-Trihydroxy-6-methoxyflavone|AKOS004110694|5,7,4''-Trihydroxy-6-methoxyflavone|CS-6502|MCULE-3882973229|NCGC00167728-01|NCGC00167728-02|NCGC00169216-01|4CN-1206|AN-49210|NCI60_000530|SMR000445653|ST024778|LS-173226|B6959|FT-0697687|W1618|C10058|447H887|C-56393|BRD-K72066874-001-01-0|5,7-Dihydroxy-2-(4-hydroxy-phenyl)-6-methoxy-chromen-4-one|4H-1-Benzopyran-4-one,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-|5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one #|4H-1-Benzopyran-4-one, 5, 7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-|4H-1-Benzopyran-4-one,5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-|HUL| |
| Disogenin |
natural product |
Trigonella foenum|Dioscorea japonica|Primula denticulata|Euphorbia wallichii|Fagopyrum cymosum|Corydalis crystallina|Dioscorea nipponica|Shorea javanica|Scadoxus multiflorus|Rabdosia excisa|Croton megistocarpus|Dioscorea opposita|Senecio isatideus|Calonectria lauri|Acacia lemmoni|Calophyllum lanigerum|Adenium obesum|Podocarpus blumei|Tephrosia odorata|Eucalyptus campanulata|Tambja ceutae|Artemisia abrotanum|Aconitum forrestii|Gastrodia elata|Theonella mirabilis|Aspergillus parvathecius|Hemiphragma heterophyllum|Selinum papyraceum|Euphorbia cattimandoo|Daiswa polyphylla|Dacrycarpus vieillardii|Verbascum lasianthum|Mikania oblongifolia|Tephrosia bracteolata|Streptococcus pneumoniae|Smilax china|Xanthoparmelia tinctina|Sansevieria ehrenbergii|Asperula odorata|Lomandra hastilis|Microlepia marginata|Smilax glabra|Noccaea caerulescens|chamaellirium luteum|Anaphalis margaritacea|Parkia javanica|Capparis angulata|Tetradesmus obliquus|Dioscorea septemloba|Rubus foliolosus|Carissa spinarum|Sideritis condensata|Dictyota spinulosa|Arum montanum|Lasianthus wallichii|Garcinia latissima|solanum violaceum|Mercurialis leiocarpa|Clerodendrum infortunatum|Teucrium cossonii|Lygodium pinnatifidum|Anaptychia obscura|Achillea pratensis|Solanum virginianum|Piper demeraranum|Hypotrachyna quaesita|Alcea nudiflora|Persea kusanoi|Caenorhabditis elegans|Canarium muelleri|Thuja dolabrata|Calamus insignis|Bipolaris maydis|Piper puberulum|Subergorgia hicksoni|Calyx cucumis|Rhamnus pallasii|Lonicera morrowi|Neoboutonia glabrescens|Lagerstroemia indica|Salvia horminum|Smilacis glabrae rhixoma|Phragmites australis|Paullinia pinnata|Boronia lanceolata|Anvillea garcinii|Rhizoma anemones raddeanae|Sarcococca hookeriana|Solanum glaucophyllum|Chloranthus holostegius|Trigonellae semen|Podocarpus sellowii|Telekia speciosa|Oncorhynchus keta|Polygonati rhizoma|Spinacia oleracea|Mollugo cerviana|Ochradenus baccatus|Dioscoreaebulbiferae|Neolitsea sericea|Argyrotaenia velutinana|Scirpus fluviatilis|Solanum melongena l|Gardenia gummifera|Berkheya radula|Capsicum baccatum|Crotalaria prostrata|Neobulgaria pura|Pelea madagascarica|Dioscoreae hypoglaucae rhizoma|Turnera ulmifolia|Lycopodium paniculatum|Solanum nigrum linn|Ganoderma sinense|Lepidium campestre|Broussonetiae fructus|Agaricus nebularis|Gentiana bellidifolia|Dysosma pleiantha|Rhizoma dioscoreae|Calanthe sylvatica|Baphicacanthus cusia|Cinnamomum pedunculatum|Dioscoreae septemlo bae rhizoma|Dioscorea deltoidea|Albizia schimperana|Daphniphyllum subverticillatum|Asparagi radix|Angelica sinensis|Klaseopsis chinensis|Clerodendrum formicarum|Anemarrhenae rhizoma|Campanula pendula|Ranunculus bulbosus|Marchantia polymorpha|Cladonia japonica|Anemarrhena asphodeloides|Anemone raddeana|Pteromys volans|Trimusculus conica|Geranium sibiricum|Plantago ovata|Trigonella foenum-graecum|Cacospongia scalaris|Calocedrus macrolepis|Chlorella pyrenoidosa|Tulbaghia violacea|Dioscorea polystachya|Phellinus tremulae|Buxus rolfei|Borassus flabellifer|Rattus norvegicus |
Path=NFKB1 pathway|AKT1 pathway|BCL2 pathway|BIRC5 pathway|CCND1 pathway|CDK2 pathway|CDK4 pathway|STAT3 pathway|XIAP pathway|BCL2A1 pathway|BCL2L1 pathway|BIRC3 pathway|CFLAR pathway|MMP9 pathway|MYC pathway|PTGS2 pathway|TRAF1 pathway|VEGFA pathway|UDP-glucuronosyltransferase 1-1 - Homo sapiens | UDP-glucuronosyltransferase 1A4 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens |Org= Mus musculus | Mycobacterium tuberculosis H37Rv | Micrococcus luteus | Hepatitis C virus |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Multiple Myeloma|Multiple Myeloma |Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Org=Mus musculus | Mycobacterium tuberculosis H37Rv | Micrococcus luteus | Hepatitis C virus |
3D viewer |
Pubchem |
|
99474 |
512-04-9 |
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1 |
WQLVFSAGQJTQCK-VKROHFNGSA-N |
414.31000 |
C27H42O3 |
0.2771 |
3 |
1 |
38.69 |
5.0 |
30 |
6 |
Developmental toxicology of potato alkaloids in the frog embryo teratogenesis assay--Xenopus (FETAX).|[Characterization of lipoprotein catabolism in biliary cholesterol hypersecretion conditions in rats].|Inhibitors of sterol synthesis. Chemical synthesis, structure, and biological activities of (25R)-3 beta,26-dihydroxy-5 alpha-cholest-8(14)-en-15-one, a metabolite of 3 beta-hydroxy-5 alpha-cholest-8(14)-en-15-one.|Regulation of biliary cholesterol secretion. Functional relationship between the canalicular and sinusoidal cholesterol secretory pathways in the rat.|Regulation of biliary cholesterol secretion in the rat. Role of hepatic cholesterol esterification.|Mevalonate reverses the developmental arrest of preimplantation mouse embryos by Compactin, an inhibitor of HMG Co A reductase. |
DIOSGENIN|512-04-9|Nitogenin|UNII-K49P2K8WLX|K49P2K8WLX|CHEBI:4629|(25R)-spirost-5-en-3beta-diol|Spirost-5-en-3-ol, (3b,25R)-|(20R,25R)-Spirost-5-en-3beta-ol|CCRIS 6803|22alpha-Spirost-5-en-3beta-ol|(25R)-Spirost-5-en-3beta-ol|SP 37|(3beta,25R)-spirost-5-en-3-ol|EINECS 208-134-3|NSC 33396|BRN 0094582|3beta-Hydroxy-5-spirostene|(25R)-5-Spirosten-3beta-ol|nitrogen in|Spirost-5-en-3-ol,(3b,25R)-|Spirost-5-en-3-beta-ol, (25R)-|Diosgenin,(S)|Spirost-5-en-3-ol, (3-beta,25R)-|(7S,8S,10S,13S,15S,18S,22S,3R,12R,14R,19R)-3,13,15,19-tetramethyl-11-oxaspiro 2H-3,4,5,6-tetrahydropyran-6,6'-pentacyclo10.8.0.0<2,9>.0<4,8>.0<13,18>icosa ne-24-en-22-ol|DISOGENIN|Diosgenin, >=93%|3A-Hydroxy-5-spirostene|Tribulus Terrestris Extract|SCHEMBL83359|5-19-03-00030 (Beilstein Handbook Reference)|(25R)-5-Spirosten-3A-ol|AC1L40X7|CHEMBL412437|WQLVFSAGQJTQCK-VKROHFNGSA-N|(25R)-Spirost-5-en-3.beta-ol|HY-N0177|ZINC6857614|LMST01080037|MFCD00016887|SBB058140|AKOS015961083|ACN-034765|AN-7581|CS-5303|MCULE-6739922044|RL03884|NCGC00386027-01|AS-13640|BC205369|CC-27080|ST097775|DHA, 512-04-9|AB0090307|N1715|S2291|Spirost-5-en-3beta-ol, (25R)- (8CI)|C08898|J10028|M03858|Spirost-5-en-3-ol, (3beta,25R)- (9CI)|512D049|C-21981|Q-100574|BRD-K28690501-001-02-1|Diosgenin, European Pharmacopoeia (EP) Reference Standard|UNII-5E5W122QCR component WQLVFSAGQJTQCK-VKROHFNGSA-N|(2R,5'R)-5'-tetramethylspiro?-2,2'-tetrahydropyranol|NCGC00386027-01_C27H42O3_Spirost-5-en-3-ol, (3beta,25R)-|(4S,5'R,6aR,6bS,8aS,8bR,9S,10R,11aS,12aS,12bS)-5',6a,8a,9-tetramethyl-1,3,3',4,4',5,5',6,6a,6b,6',7,8,8a,8b,9,11a,12,12a,12b-icosahydrospironaphtho2',1':4,5indeno2,1-bfuran-10,2'-pyran| |
| (2S)-7-[4,5-Dihydroxy-6-(Hydroxymethyl)-3-(3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxyoxan-2-Yl]Oxy-5-Hydroxy-2-(4-Hydroxyphenyl)-2,3-Dihydrochromen-4-One |
natural product |
Citrus spp|Scutellaria barbata|Sophora japonica|Astragalus membranaceus|Astragalus mongholicus|Citrus aurantium|Citrus maxima|Citrus medica|Citrus natsudaidai|Citrus reticulata|Citrus sinensis|Citrus unshiu|Citrus wilsonii|Crocus sativus|Drynaria fortunei|Ganoderma lucidum|Ganoderma sinense|Hedysarum polybotrys|Morus alba|Citrus trifoliata|Portulaca oleracea|Prunus mume|Rheum coreanum|Rheum officinale|Rheum palmatum|Rheum tanguticum|Rhododendron dauricum |
Gen=P450 (e.g. CYP17)|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus | UDP-glucuronosyltransferase 1-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Glycogen synthase kinase-3 beta - Homo sapiens | Heparanase - Homo sapiens | Ubiquitin-conjugating enzyme E2 N - Homo sapiens | Geminin - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Bcl-2-related protein A1 - Mus musculus | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | Solute carrier organic anion transporter family member 1A5 - Rattus norvegicus | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Cytochrome P450 19A1 - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Protein-tyrosine phosphatase 1B - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | TAR DNA-binding protein 43 - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Transcriptional regulator ERG - Homo sapiens |Org= Salmonella typhimurium| |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Gen=Metabolism |
3D viewer |
Pubchem |
|
5351463 |
No Cas |
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O |
DFPMSGMNTNDNHN-NPDMSNFISA-N |
580.18000 |
C27H32O14 |
-4.8082 |
10 |
8 |
225.06 |
15.0 |
41 |
5 |
|
naringin|NSC5548|Naringoside|AC1NS0LR|SCHEMBL2614060|CHEMBL1970019|LMPK12140235|NCI60_004359|4H-1-Benzopyran-4-one,3-dihydro-5-hydroxy-2-(p-hydroxyphenyl)-|(2S)-7-4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yloxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one |
| (+)-Epicatechin |
natural product |
Hamamelis virginiana|Salix hulteni|Diospyros kaki|Ulmus davidiana|Litchi chinensis|Theobroma cocoa|Polygonum cuspidatum|Centella asiatica|Rheum officinale|Polyporus ellisii|Uncariae ramulus cumuncis|Ampelopsis japonica|Chaenomeles sinensis|Rheum palmatum|Spirographis spallanzani|Herbahypericiperforati|Houttuynia cordata|Chaenomeles speciosa|Rheum tanguticum|Cissus quinquefolia|Areca catechu|Hippophae rhamnoides|Cinamomum cassia|Rosa laevigata|Dioscoreaebulbiferae|Eucommia ulmoides|Cinnamomum aromaticum|Sargentodoxa cuneata|Rabdosia rosthornii|Agrimonia pilosa|Crataegus pinnatifida|Smilax china|Streptomyces libani|Lysimachiae herba|Drynaria fortunei|Cynomorium songaricum|Smilax glabra|Laurencia snyderae|Rhizoma fagopyri cymosi|Rumex japonicus|Solanum nigrum|Celastri orbiculati fructus|Crataegi folium|Fagopyrum dibotrys|Spatholobus suberectus|Hordei fructus germinatus|Semen aesculi|Euphorbia hirta|Thymus quinquecostatus|Gleditsiae fructus|Apocyniveneti folium|Morus alba|Ginkgo biloba|Thymus vulgaris|Phaseoli semen|Scutellaria baicalensis|Gleditsia japonica|Uncaria gambir|Herba pyrolae|Uncaria sinensis|Gleditsia sinensis|Uncaria macrophylla|Folium nelumbinis|Poria cocos|Uncaria rhynchophylla|Hippophae fructus|Polygonum orientale|Humulus lupulus|Nelumbo nucifera|Hypericum perforatum|Vigna angularis|Vigna umbellata|Actinidia chinensis planch|Lilium brownii|Vigna umbeuata|Amomum tsao-ko|Dimocarpus longan|Lilium lancifolium|Vitex negundo|Eucommiae cortex|Portulaca oleracea|Zanthoxylum bungeanum|Rumex nepalensis|Zanthoxylum piperitum|Cinnamomi ramulus|Lilium pumilum|Perilla frutescens|Zanthoxylum schinifolium|Arecae semen|Paeonia lactiflora|Morus bombycis|Ixeris tamagawaensis|Zingiber officinale|Gleditsiae spina|Murraya exotica|Senecio dryophyllus|Ziziphus jujuba|Abutilon theophrasti|Murraya paniculata|Senecio sinuatus|Hymenopenaeus sibogae|Senegalia catechu|Orostachys fimbriata|Heliomeris multiflora|Casimiroa tetrameria|Inula graveolens|Aloe africana|Orostachys japonicus|Aster koraiensis|green tea|Aloe vera|Aloe ferox|Bactrocera cucumis|Collisella limatula|Aloe spicata|Fallopia multiflora|Solanum giganteum|Aglaia oligophylla|Ageratum houstonianum|Apocynum venetum|Prunus mume|Ligularia dentata|Aspergillus heterothallicus|Punica granatum|Colchicum speciosum|Boehmeria nivea|Rheum coreanum|Licania pittieri |
Path=MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|Gen=ROS|Neuraminidase - Influenza A virus | Fatty acid synthase - Homo sapiens | Cyclooxygenase-1 - Ovis aries | Beta-secretase 1 - Homo sapiens |Org= Meloidogyne incognita | Plasmodium falciparum |
Dis=Hepatobiliary Cancer|Hepatoma|Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Neuroblastoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
4MA6 6AX0 6AWV 6AWT |
182232 |
35323-91-2 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
PFTAWBLQPZVEMU-ZFWWWQNUSA-N |
290.08000 |
C15H14O6 |
-2.494 |
1 |
5 |
110.38 |
6.0 |
21 |
3 |
The effect of (+) --cyanidanol on lysosomal enzymes of I-cell fibroblasts.|(+)-Cyanidanol-3 as inhibitor of prostaglandin synthetase. Studies on renal medulla and liver of the rat in vitro and in vivo.|Osteogenesis imperfecta: morphological, histochemical and biochemical aspects. Modifications induced by (+)-catechin.|[On the molecular mechanism of action of (+)-cyanidanol-3 (author's transl)].|[Influences of food browning on nutrition. II. Effects of ingestion of non-dialyzable browning substances, dopamelanin and chlorogenic acid on growth and protein and lipid metabolism in rats (author's transl)].|[A contribution as to the effect of (+)-Cyanidanol-3 in chronic liver disease (author's transl)]. |
(+)-Epicatechin|ent-Epicatechin|35323-91-2|(2S,3S)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol|UNII-LD6B6TT8Q5|LD6B6TT8Q5|d-Epicatechin|CHEMBL129482|CHEBI:76125|(+)-epicatechol|(2S,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol|(-) epicatechine|(2S,3S)-3,3',4',5,7-pentahydroxyflavan|Epicatechin, (+)-|(2S,3S)-epicatechin|AC1L4AK5|SCHEMBL862089|PFTAWBLQPZVEMU-ZFWWWQNUSA-N|ZINC119978|BDBM50135167|SB18952|(+)-3 3' 4' 5 7-Pentahydroxyflavan|AJ-11642|ZB004047|AX8042881|FT-0636422|N2101|C09728|(2S,3S)-3',4',5,7-tetrahydroxyflavan-3-ol|99182E3E-BCCB-48BB-89BF-7DDC933D48FF|(2S,3S)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol|(2S,3S)-2-(3,4-Dihydroxy-phenyl)-chroman-3,5,7-triol|(2S,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol|2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2S-cis)-| |
| Physalin B |
natural product |
Physalis angulata|Physalis alkekengi var. franchetii|Physalis alkekengi |
Path=BAX pathway|CASP3 pathway|NF-kappaB inhibitor alpha - Homo sapiens | Zinc finger protein GLI1 - Homo sapiens |Org= Plasmodium falciparum |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|ileocecal colorectal adenocarcinoma |Melanoma|malignant melanoma|Murine Melanoma|Non-small Cell Lung Cancer|large cell carcinoma|Prostate Cancer|Prostate Adenocarcinoma|Soft Tissue Sarcoma|Mouse sarcoma|Org=Plasmodium falciparum |
3D viewer |
Pubchem |
|
11613161 |
No Cas |
CC12CC3C4(C56C1C(=O)C(O5)(C7CC=C8CC=CC(=O)C8(C7CCC6(C(=O)O4)O)C)OCC2C(=O)O3)C |
HVTFEHJSUSPQBK-DNJDGUCCSA-N |
510.19000 |
C28H30O9 |
-0.4072 |
9 |
1 |
125.43 |
4.0 |
37 |
8 |
Antimycobacterial physalins from Physalis angulata L. (Solanaceae).|Physalins B, F and G, seco-steroids purified from Physalis angulata L., inhibit lymphocyte function and allogeneic transplant rejection.|Physalins from Witheringia solanacea as modulators of the NF-kappaB cascade.|High-throughput bioluminescence screening of ubiquitin-proteasome pathway inhibitors from chemical and natural sources.|Physalin B, a novel inhibitor of the ubiquitin-proteasome pathway, triggers NOXA-associated apoptosis.|Synthesis of the DFGH ring system of type B physalins: highly oxygenated, cage-shaped molecules. |
|
| (+)-Catechin |
anticancer |
Hamamelis virginiana|Salix hulteni|Diospyros kaki|Ulmus davidiana|Litchi chinensis|Theobroma cocoa|Polygonum cuspidatum|Centella asiatica|Rheum officinale|Polyporus ellisii|Uncariae ramulus cumuncis|Ampelopsis japonica|Chaenomeles sinensis|Rheum palmatum|Spirographis spallanzani|Herbahypericiperforati|Houttuynia cordata|Chaenomeles speciosa|Rheum tanguticum|Cissus quinquefolia|Areca catechu|Hippophae rhamnoides|Cinamomum cassia|Rosa laevigata|Dioscoreaebulbiferae|Eucommia ulmoides|Cinnamomum aromaticum|Sargentodoxa cuneata|Rabdosia rosthornii|Agrimonia pilosa|Crataegus pinnatifida|Smilax china|Streptomyces libani|Lysimachiae herba|Drynaria fortunei|Cynomorium songaricum|Smilax glabra|Laurencia snyderae|Rhizoma fagopyri cymosi|Rumex japonicus|Solanum nigrum|Celastri orbiculati fructus|Crataegi folium|Fagopyrum dibotrys|Spatholobus suberectus|Hordei fructus germinatus|Semen aesculi|Euphorbia hirta|Thymus quinquecostatus|Gleditsiae fructus|Apocyniveneti folium|Morus alba|Ginkgo biloba|Thymus vulgaris|Phaseoli semen|Scutellaria baicalensis|Gleditsia japonica|Uncaria gambir|Herba pyrolae|Uncaria sinensis|Gleditsia sinensis|Uncaria macrophylla|Folium nelumbinis|Poria cocos|Uncaria rhynchophylla|Hippophae fructus|Polygonum orientale|Humulus lupulus|Nelumbo nucifera|Hypericum perforatum|Vigna angularis|Vigna umbellata|Actinidia chinensis planch|Lilium brownii|Vigna umbeuata|Amomum tsao-ko|Dimocarpus longan|Lilium lancifolium|Vitex negundo|Eucommiae cortex|Portulaca oleracea|Zanthoxylum bungeanum|Rumex nepalensis|Zanthoxylum piperitum|Cinnamomi ramulus|Lilium pumilum|Perilla frutescens|Zanthoxylum schinifolium|Arecae semen|Paeonia lactiflora|Morus bombycis|Ixeris tamagawaensis|Zingiber officinale|Gleditsiae spina|Murraya exotica|Senecio dryophyllus|Ziziphus jujuba|Abutilon theophrasti|Murraya paniculata|Senecio sinuatus|Hymenopenaeus sibogae|Senegalia catechu|Orostachys fimbriata|Heliomeris multiflora|Casimiroa tetrameria|Inula graveolens|Aloe africana|Orostachys japonicus|Aster koraiensis|green tea|Aloe vera|Aloe ferox|Bactrocera cucumis|Collisella limatula|Aloe spicata|Fallopia multiflora|Solanum giganteum|Aglaia oligophylla|Ageratum houstonianum|Apocynum venetum|Prunus mume|Ligularia dentata|Aspergillus heterothallicus|Punica granatum|Colchicum speciosum|Boehmeria nivea|Rheum coreanum|Licania pittieri |
Path=MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|Gen=ROS|Neuraminidase - Influenza A virus | Fatty acid synthase - Homo sapiens | Cyclooxygenase-1 - Ovis aries | Beta-secretase 1 - Homo sapiens |Org= Meloidogyne incognita | Plasmodium falciparum |
Dis=Hepatobiliary Cancer|Hepatoma|Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Neuroblastoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
4C9I 4C94 3I52 |
9064 |
154-23-4 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
PFTAWBLQPZVEMU-DZGCQCFKSA-N |
290.27000 |
C15H14O6 |
2.021 |
1 |
5 |
110.00 |
1.0 |
21 |
3 |
Cianidanol is an antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms. |
Cianidanol, Catechinic acid, Catechuic acid |
| (-)-Epigallocatechin Gallate |
anticancer |
Diospyros kaki|Myrica rubra|Camellia sinensis|Prunus persica|Punica granatum|Ampelopsis japonica|Rhodiola rosea|Eriobotrya japonica|Morus alba|Ardisia japonica|Portulaca oleracea|Paeonia lactiflora| |
Path=ODC1 pathway|ABCG2 pathway|BCL2 pathway|BAX pathway|CASP3 pathway|PARP1 pathway|AR pathway|PSA pathway|N/A|CDK4 pathway|PCNA pathway|Gen=DNA Methyltransferase,HER2,Telomerase,EGFR,Fatty Acid Synthase|15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Arachidonate 15-lipoxygenase - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Histone acetyltransferase GCN5 - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Vitamin D receptor - Homo sapiens | DNA polymerase kappa - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | HERG - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Galactokinase - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis|Beta-secretase 1 - Homo sapiens|Beta-secretase 1 - Homo sapiens | Fucosyltransferase 4 - Homo sapiens | CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase - Homo sapiens | Alpha-(1,3)-fucosyltransferase 7 - Homo sapiens|Hepatocyte growth factor receptor - Homo sapiens | 3-oxoacyl-acyl-carrier protein reductase - Plasmodium falciparum | 6-phosphogluconate dehydrogenase - Homo sapiens | Glucose-6-phosphate 1-dehydrogenase - Saccharomyces cerevisiae S288c | Apoptosis regulator Bcl-2 - Homo sapiens | Heat shock protein HSP 90-beta - Homo sapiens | Enoyl-acyl-carrier protein reductase - Plasmodium falciparum | Fatty acid synthase - Plasmodium falciparum |Org= Rattus norvegicus | Human herpesvirus 1 | Plasmodium falciparum | Human immunodeficiency virus 1 |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Basophilic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|Uterine Neoplasms|leiomyoma|Gen=DNA Damage |
3D viewer |
Pubchem |
4E1A 4KQR 4KQK 4KQO |
65064 |
989-51-5 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
|
458.37000 |
C22H18O11 |
3.097 |
3 |
8 |
197.00 |
4.0 |
33 |
4 |
(-)-Epigallocatechin Gallate(EGCG) is the main catechin extraction of green tea that inhibits telomerase and DNA methyltransferase. EGCG blocks the activation of EGF receptors and HER-2 receptors. ECGG inhibits fatty acid synthase and glutamate dehydrogenase activity. |
EGCG |
| Dihydroartemisinin (DHA) |
anticancer |
Artemisia annua|Artemisia apiacea |
Path=MAPK14 pathway|CASP3 pathway|P-glycoprotein 1 - Homo sapiens |Org= Plasmodium falciparum 3D7 | Plasmodium falciparum|Peripheral myelin protein 22 - Rattus norvegicus | Cytochrome P450 3A4 - Homo sapiens | Huntingtin - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Geminin - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | 78 kDa glucose-regulated protein - Homo sapiens | Survival motor neuron protein - Homo sapiens |Org= Plasmodium falciparum |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Non-small Cell Lung Cancer|Gen=Others |
3D viewer |
Pubchem |
|
3000518 |
71939-50-9 |
CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)O)C |
|
284.35000 |
C15H24O5 |
1.621 |
4 |
0 |
57.20 |
0.0 |
20 |
3 |
Dihydroartemisinin (DHA) is a semi-synthetic derivative of artemisinin and isolated from the traditional Chinese herb Artemisia annua. |
N/A |
| Luteolin |
anticancer |
Plantago major|Dracocephalum kotschyi|Rosmarinus officinalis|Tithonia diversifolia|Vitex rotundifolia|Olea europaea|Eupatorium odoratum|Plantago lagopus|Terminalia arjuna|Vitex trifolia|Perilla leaf|Chrysanthemum morifolium|Carex folliculata|Lonicera japonica|Cyperus alopecuroides|Punica granatum| |
Path=BCL2L1 pathway|BIRC5 pathway|CDK1 pathway|CDK2 pathway|CDK4 pathway|CDKN1A pathway|CDKN1B pathway|MCL1 pathway|CASP3 pathway|CASP8 pathway|CASP9 pathway|MAPK14 pathway|MAPK8 pathway|AIFM1 pathway|APEX2 pathway|NUDT1 pathway|OGG1 pathway|Gen=PDE |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Bladder Cancer|Transitional Cell Carcinoma|Breast Cancer|Breast Carcinoma|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Fibrosarcoma|Murine Fibrosarcoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Hepatoma|Kidney Cancer|kidney cancer|Renal Cell Adenocarcinoma|Melanoma|malignant melanoma|mouse tumor model|DMBA/TPA induced skin carcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|large cell carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Prostate Cancer|Prostate Adenocarcinoma|Small Cell Lung Cancer|Small Cell Lung Carcinoma|Soft Tissue Sarcoma|Mouse sarcoma|Gen=Metabolism |
3D viewer |
Pubchem |
5AUU 4HKN 4QXV 3SZ1 |
5280445 |
491-70-3 |
C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O |
|
286.24000 |
C15H10O6 |
2.168 |
2 |
4 |
107.00 |
1.0 |
21 |
|
Luteolin is a flavonoid found in Terminalia chebula, which is a non-selective phisphodiesterase PDE inhibitor for PDE1-5 with Ki of 15.0 &muM, 6.4 &muM, 13.9 &muM, 11.1 &muM and 9.5 &muM, respectively. Phase 2. |
N/A |
| (+)-Matrine |
anticancer |
Sophora flavescens|Planchonia grandis|Plathymenia reticulata|Syzygium polycephaloides|Pteridium esculentum|Abelia chinensis|Siphonaria capensis|Lycogala epidendrum|Sophorae tonkinensis radix et rhizome|Lemaireocereus longispinus|Embelia schimperi|Cordia leucocephala|Sophorae flavescentis radix|Latrunculia magnifica|Eria anomala|Sophora tonkinensis|Asimina parviflora|Erythrina melanacantha|Hypericum styphelioides|Myxococcus stipitatus|Theonella conica|Morella rubra|Faramea salicifolia|Chondrodendron tomentosum|Conus mus|Vellozia nanuzae|Monsonia senegalensis|Piper regnellii|Pancratium sickenbergeri|Onopordum acanthium|Rhinella marina|Helichrysum tenuifolium|Clerodendrum bungei|Embelia parviflora|Esenbeckia leiocarpa|Shigella dysenteriae|Simarouba glauca|Diospyros assimilis|Baccharis neglecta|Gymnocalycium schickendantzii|Centaurea maculosa|Lythrum salicaria|Tricholoma columbetta|Vernonia fagifolia|Dendronephthya griffini|Aplophyllum alberti-regelii|Haplophyllum obtusifolium|Euphorbia nematocypha|Dolabella californica|Erysimum leptophyllum|Epilobium hirsutum|Ephedra sinica|Sophora alopecuroides| |
Path=EIF4E pathway|N/A|MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|CASP3 pathway|FAS pathway|FASLG pathway|Gen=Opioid Receptor|Org=Hepatitis B virus|Histone acetyltransferase GCN5 - Homo sapiens |Org= Plasmodium falciparum|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus |Org= Hepatitis B virus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioma|Chronic Myelogenous Leukemia|Esophageal and Esophagogastric Junction Cancers|Esophageal squamous cell carcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Gen=Neuronal Signaling |
3D viewer |
Pubchem |
|
91466 |
519-02-8 |
C1CC2C3CCCN4C3C(CCC4)CN2C(=O)C1 |
|
248.36000 |
C15H24N2O |
1.417 |
1 |
0 |
23.60 |
0.0 |
18 |
4 |
Matrine((+)-Matrine) is an alkaloid found in plants from the Sophora family, which has a variety of pharmacological effects, including anti-cancer effects, and action as a kappa opioid receptor agonist. |
N/A |
| Oridonin |
anticancer |
Isodon rubescens|Rabdosia rubescens|Isodon rubescens var. lushiensis|Rubia cordifolia| |
Path=BCL2 pathway|CCNB1 pathway|CDK1 pathway|DFFA pathway|EGFR pathway|PARP1 pathway|SIRT1 pathway|AIFM1 pathway|BAX pathway|CASP3 pathway|CASP8 pathway|CYCS pathway|FADD pathway|JUND pathway|MAPK14 pathway|NFKB1 pathway|FAS pathway|SREBF1 pathway|Gen=Others|Cholinesterase - Equus caballus | Acetylcholinesterase - Electrophorus electricus |Org= Mycobacterium phlei | Mycobacterium smegmatis |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Gen=Others |
3D viewer |
Pubchem |
|
5321010 |
28957-04-2 |
CC1(CCC(C23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)O)C |
|
364.43000 |
C20H28O6 |
0.2 |
2 |
3 |
107.00 |
0.0 |
26 |
3 |
Oridonin, a diterpenoid purified from Rabdosia rubescens, is an antitumor agent. |
Isodonol, Rubescenin |
| (-)-Parthenolide |
anticancer |
Tanacetum parthenium|Tsuga sieboldii|Lactarius blennius|Sinularia erecta|Silene dioica|Mollugo pentaphylla|Paederia foetida|Dolichos kilimandscharicus|Tuta absoluta|Artemisia phaeolepis|Laurencia dendroidea|Naucleopsis mello-barretoi|Laserpitium siler|Ambrosia psilostachya| |
Path=MLL pathway|MAPK14 pathway|Gen=HDAC,NF-?B,Mdm2,p53|Aldehyde dehydrogenase 1A1 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Parathyroid hormone receptor - Homo sapiens | Vitamin D receptor - Homo sapiens | Ferritin light chain - Equus caballus | Regulator of G-protein signaling 4 - Homo sapiens | Geminin - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens|Acetylcholinesterase - Electrophorus electricus | Nuclear factor NF-kappa-B p65 subunit - Homo sapiens | Nitric oxide synthase, inducible - Mus musculus | Serotonin 2a (5-HT2a) receptor - Rattus norvegicus | Caspase-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Cholinesterase - Equus caballus | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Transcriptional activator Myb - Gallus gallus | NACHT, LRR and PYD domains-containing protein 3 - Homo sapiens | UDP-N-acetylglucosamine 1-carboxyvinyltransferase - Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) | UDP-N-acetylglucosamine 1-carboxyvinyltransferase - Escherichia coli K-12 | Transcription factor Sp1 - Homo sapiens | Cyclooxygenase-2 - Homo sapiens |Org= Plasmodium falciparum | Orobanche cernua var. cumana|TAR DNA-binding protein 43 - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Ataxin-2 - Homo sapiens | Parathyroid hormone receptor - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|pre-B leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Medulloblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Melanoma|malignant melanoma|Skin Cancer|Epithelial cell carcinoma|Small Cell Lung Cancer|Small Cell Lung Carcinoma|Gen=NF-?B |
3D viewer |
Pubchem |
|
7251185 |
20554-84-1 |
CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C |
|
248.32000 |
C15H20O3 |
2.923 |
3 |
0 |
38.80 |
0.0 |
18 |
3 |
(-)-Parthenolide, an inhibitor of the Nuclear Factor-?B Pathway, specifically depletes HDAC1 protein without affecting other class I/II HDACs Also promotes the ubiquitination of MDM2 and activates p53 cellular functions. |
N/A |
| Silibinin |
anticancer |
Silybum marianum|Lycium chinense| |
Path=ERBB2 pathway|TP53 pathway|MYC pathway|SLC2A4 pathway|AKT1 pathway|TBC1D4 pathway|CASP3 pathway|LDHA pathway|PSA pathway|N/A|BCL2L1 pathway|MAPK14 pathway|MMP9 pathway|JUN pathway|MAP2K1 pathway|MAPK1 pathway|MAPK3 pathway|MAPK8 pathway|RAF1 pathway|CYCS pathway|EGFR pathway|IGF1R pathway|PTK2 pathway|VEGFA pathway|BID pathway|BIRC5 pathway|CASP8 pathway|CASP9 pathway|CFLAR pathway|TNFRSF10C pathway|DDIT3 pathway|TNFRSF10B pathway|FOS pathway|JUND pathway|MAPK9 pathway|MMP2 pathway|NFKB1 pathway|NFKB2 pathway|PLAU pathway|EIF4G1 pathway|HIF1A pathway|MTOR pathway|RPS6 pathway|RPS6KB2 pathway|STAT3 pathway|SPDEF pathway|CCND1 pathway|MCL1 pathway|EIF2A pathway|PARP1 pathway|Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | DNA polymerase iota - Homo sapiens | DNA polymerase eta - Homo sapiens | Large T antigen - Simian virus 40 | Geminin - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus |Org= Plasmodium falciparum|Tyrosinase - Agaricus bisporus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens |Org= Hepatitis C virus|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus | Tyrosinase - Agaricus bisporus | Cytochrome P450 3A4 - Homo sapiens | Sphingomyelin phosphodiesterase - Homo sapiens | Carbonic anhydrase IX - Homo sapiens | Androgen Receptor - Homo sapiens | Carbonic anhydrase XIV - Homo sapiens | Xanthine dehydrogenase - Bos taurus | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Hypoxia-inducible factor 1 alpha - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Canalicular multispecific organic anion transporter 1 - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Carbonic anhydrase I - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Prelamin-A/C - Homo sapiens | Thrombin - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Microtubule-associated protein tau - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Carbonic anhydrase II - Homo sapiens | Thyroid stimulating hormone receptor - Homo sapiens | Cruzipain - Trypanosoma cruzi | Multidrug resistance-associated protein 1 - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Lysosomal alpha-glucosidase - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Carbonic anhydrase VA - Homo sapiens | Xanthine dehydrogenase - Homo sapiens | Carbonic anhydrase VB - Homo sapiens | Carbonic anhydrase VII - Homo sapiens | Carbonic anhydrase XIII - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | Carbonic anhydrase III - Homo sapiens | Carbonic anhydrase 15 - Mus musculus | Interleukin-8 - Homo sapiens | P-glycoprotein 3 - Mus musculus | Nuclear receptor subfamily 1 group I member 2 - Rattus norvegicus | Xanthine dehydrogenase/oxidase - Rattus norvegicus | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | Carbonic anhydrase IV - Homo sapiens | Carbonic anhydrase XII - Homo sapiens | Carbonic anhydrase VI - Homo sapiens |Org= Mus musculus | Staphylococcus aureus | Pseudomonas aeruginosa | Plasmodium falciparum | Proteus mirabilis |
Dis=Breast Cancer|Breast Adenocarcinoma|Ductal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Central Nervous System Cancers|Glioblastoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
31553 |
22888-70-6 |
COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O |
|
482.44000 |
C25H22O10 |
2.592 |
5 |
5 |
155.00 |
4.0 |
35 |
5 |
Silibinin, the main flavonoid extracted from the milk thistle Silybum marianum, displays hepatoprotective properties in acute and chronic liver injury. |
Silybin |
| Isoliquiritigenin |
anticancer |
Platymiscium floribundum|Herba sedi sarmentosi|Allium ascalonicum|Glycyrrhiza inflata|Rohdea chinensis|Cicer arietinum|Dalbergia stevensonii|Glycyrrhiza yunnanensis|Apis mellifera ligustica|Onobrychis viciifolia|Tephrosia toxicaria|Panicum miliaceum|Dalbergia sericea|Sophora tomentosa|Glycyrrhiza glabra|Caulis spatholobi|Robinia pseudoacacia|Glycyrrhiza uralensis|Dracaena draco|Muntingia calabura|Dalbergiae odoriferae lignum|Spatholobus suberectus|Boehmeriae rhizoma et radix|Hedysarum multijugum maxim|Polygonati rhizoma|Hedysari radix|Caulis millettiae|Lignum dalbergiae odoriferae rosewood|Wikstroemia viridiflora| |
Gen=Others|Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Cytochrome P450 2C19 - Homo sapiens | Pyruvate kinase - Leishmania mexicana | Pyruvate kinase isozymes M1/M2 - Homo sapiens | Cytochrome P450 2D6 - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Cytochrome P450 3A4 - Homo sapiens | Nuclear factor NF-kappa-B p105 subunit - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Cytochrome P450 1A2 - Homo sapiens| |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|ileocecal colorectal adenocarcinoma |Melanoma|Murine Melanoma|Gen=Others |
3D viewer |
Pubchem |
5YX4 1FP1 4RLU |
638278 |
961-29-5 |
C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O |
|
256.25000 |
C15H12O4 |
2.975 |
1 |
3 |
77.80 |
3.0 |
19 |
2 |
Isoliquiritigenin, an anti-tumor flavonoid from the root of Glycyrrhiza glabra, inhibits aldose reductase with an IC50 of 320 nM. |
N/A |
| Astragaloside A |
anticancer |
Astragalus membranaceus|Penicillium glabrum|Xestospongia deweerdtae|Stachys bombycina|Darlingia ferruginea|Hunteria congolana|Astragalus mongholicus|Hedysarum polybotrys|Usnea pectinata |
Gen=Calcium Channel|Org=Hepatitis B virus | Duck hepatitis B virus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-Hodgkin's Lymphomas|Chronic Lymphocytic Leukemia|Gen=Transmembrane Transporters |
3D viewer |
Pubchem |
|
13943299 |
83207-58-3 |
CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(CO8)O)O)O)C |
|
784.97000 |
C41H68O14 |
-0.348 |
5 |
8 |
228.00 |
7.0 |
55 |
8 |
Astragaloside A (Astragaloside IV) is the primary pure saponin isolated from Astragalus membranaceus, which has been widely used for the treatment of cardiovascular diseases. |
N/A |
| Gambogic Acid |
anticancer |
Garcinia hanburyi|Garcinia hanburryi|Croton discolor| |
Path=BCL2 pathway|BCL2L1 pathway|BIRC2 pathway|BIRC3 pathway|CCND1 pathway|ICAM1 pathway|MMP9 pathway|MYC pathway|PTGS2 pathway|RELA pathway|TRAF1 pathway|VEGFA pathway|CDC2 pathway|CDK1 pathway|CKD7 pathway|MAPK14 pathway|MAPK8 pathway|Gen=Bcl-2,Caspase|Cruzipain - Trypanosoma cruzi | Arachidonate 15-lipoxygenase - Homo sapiens | Arachidonate 15-lipoxygenase, type II - Homo sapiens | Vitamin D receptor - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | 78 kDa glucose-regulated protein - Homo sapiens | Ferritin light chain - Equus caballus | Nuclear receptor ROR-gamma - Mus musculus | Histone acetyltransferase GCN5 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Survival motor neuron protein - Homo sapiens|Acetylcholinesterase - Electrophorus electricus | Thioredoxin, mitochondrial - Homo sapiens | Inhibitor of nuclear factor kappa B kinase beta subunit - Homo sapiens | Thioredoxin - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Induced myeloid leukemia cell differentiation protein Mcl-1 - Homo sapiens | Cholinesterase - Equus caballus |Org= Staphylococcus aureus |
Dis=Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Human umbilical vein endothelial cell|Non-small Cell Lung Cancer|Lewis Lung carcinoma |Gen=Apoptosis |
3D viewer |
Pubchem |
|
9852185 |
2752-65-0 |
CC(=CCCC1(C=CC2=C(O1)C(=C3C(=C2O)C(=O)C4=CC5CC6C4(O3)C(C5=O)(OC6(C)C)CC=C(C)C(=O)O)CC=C(C)C)C)C |
|
628.75000 |
C38H44O8 |
6.957 |
6 |
1 |
119.00 |
8.0 |
46 |
4 |
Gambogic Acid activates caspases with EC50 of 0.78-1.64 &muM and competitively inhibits Bcl-XL, Bcl-2, Bcl-W, Bcl-B, Bfl-1 and Mcl-1 with IC50 of 1.47, 1.21, 2.02, 0.66, 1.06 and 0.79 &muM, respectively. |
Guttatic Acid, Guttic Acid |
| Oleuropein |
bioactive compound |
Olea europaea|Syringa reticulata|Euodia bodinieri|Euodia officinalis|Euodia ruticarpa|Tetradium ruticarpum|Fraxinus chinensis|Fraxinus chinensis subsp. rhynchophylla|Fraxinus stylosa|Fraxinus szaboana |
Gen=ROS|Arachidonate 5-lipoxygenase - Homo sapiens |Org= Verticillium dahliae |
Dis=Acute Myeloid Leukemia|Erythroleukemia|Bladder Cancer|Transitional Cell Carcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Kidney Cancer|Renal Cell Adenocarcinoma|Melanoma|malignant melanoma|Soft Tissue Sarcoma|Sarcoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
|
5281544 |
32619-42-4 |
CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC(=C(C=C3)O)O |
|
540.51000 |
C25H32O13 |
0.166 |
7 |
6 |
202.00 |
11.0 |
38 |
3 |
Oleuropein is an antioxidant polyphenol isolated from olive leaf. Phase 2. |
N/A |
| Xanthohumol |
bioactive compound |
Humulus lupulus|Abelia chinensis|Hoffmannia strigillosa|Artemisia dentata|Vellozia nanuzae|Faramea salicifolia|Dendronephthya griffini|Piper regnellii|Buddleja cordata|Prorocentrum micans|Gymnocalycium schickendantzii|Rapanea lancifolia|Theonella conica|Lythrum salicaria|Syncarpia hillii|Centaurea maculosa|Latrunculia magnifica|Rhinella marina|Asimina parviflora|Helichrysum tenuifolium|Morella rubra|Lemaireocereus griseus|Ephedra sinica|Syzygium polycephaloides|Erysimum leptophyllum|Pteridium esculentum|Myxococcus stipitatus|Onopordum acanthium|Atalantia racemosa|Sophora flavescens|Lemaireocereus longispinus|Baccharis neglecta|Millettia erythrocalyx|Atraphaxis spinosa|Xenoacremonium recifei|Aplophyllum alberti-regelii|Negombata magnifica|Cordia leucocephala|Conus mus|Dolabella californica|Scorzonera pseudodivaricata|Buphane fischeri|Crambe tatarica|Simarouba glauca|Monsonia senegalensis|Shigella dysenteriae|Embelia schimperi|Alkanna cappadocica|Clerodendrum bungei|Diospyros eriantha|Plathymenia reticulata|Chondrodendron tomentosum|Lycogala epidendrum|Epilobium hirsutum|Haplophyllum obtusifolium|Ononis vaginalis|Hypericum styphelioides|Eria anomala|Tricholoma columbetta|Pteris semipinnata|Euphorbia nematocypha|Embelia parviflora|Pancratium sickenbergeri|Juniperus rigida var. conferta|Fritillaria ningguoensis|Erythrina melanacantha|Vernonia fagifolia|Esenbeckia leiocarpa|Siphonaria capensis|Planchonia grandis|Diospyros assimilis|Salvia hispanica|Mycobacterium leprae |
Path=IL6 pathway|ALPL pathway|PSEN2 pathway|VWF pathway|MKI67 pathway|BAX pathway|BCL2 pathway|BCL2L1 pathway|PARP1 pathway|CASP3 pathway|CASP7 pathway|CASP8 pathway|CASP9 pathway|Gen=COX|Protein kinase C alpha - Homo sapiens | Arachidonate 5-lipoxygenase - Homo sapiens | Prostaglandin E synthase - Homo sapiens | Lymphocyte antigen 96 - Homo sapiens | 3-phosphoinositide dependent protein kinase-1 - Homo sapiens |Org= Human immunodeficiency virus 1 | Plasmodium falciparum |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Bone Cancer|Osteosarcoma|Breast Cancer|Breast Adenocarcinoma|Ductal Adenocarcinoma|Central Nervous System Cancers|Neruoblastoma|Neuroblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Soft Tissue Sarcoma|Sarcoma|Gen=Metabolism |
3D viewer |
Pubchem |
|
639665 |
6754-58-1 |
CC(=CCC1=C(C=C(C(=C1O)C(=O)C=CC2=CC=C(C=C2)O)OC)O)C |
|
354.40000 |
C21H22O5 |
4.816 |
2 |
3 |
87.00 |
6.0 |
26 |
2 |
Xanthohumol, a prenylated chalcone from hop, inhibits COX-1 and COX-2 activity and shows chemopreventive effects. Phase 1. |
N/A |
| Tea polyphenol |
bioactive compound |
Diospyros kaki|Myrica rubra|Camellia sinensis|Prunus persica|Punica granatum|Ampelopsis japonica|Rhodiola rosea|Eriobotrya japonica|Morus alba|Ardisia japonica|Portulaca oleracea|Paeonia lactiflora| |
Path=ODC1 pathway|ABCG2 pathway|BCL2 pathway|BAX pathway|CASP3 pathway|PARP1 pathway|AR pathway|PSA pathway|N/A|CDK4 pathway|PCNA pathway|Gen=Others|Gen=DNA Methyltransferase,HER2,Telomerase,EGFR,Fatty Acid Synthase|15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Arachidonate 15-lipoxygenase - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Histone acetyltransferase GCN5 - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Vitamin D receptor - Homo sapiens | DNA polymerase kappa - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | HERG - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Galactokinase - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis|Beta-secretase 1 - Homo sapiens|Beta-secretase 1 - Homo sapiens | Fucosyltransferase 4 - Homo sapiens | CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase - Homo sapiens | Alpha-(1,3)-fucosyltransferase 7 - Homo sapiens|Hepatocyte growth factor receptor - Homo sapiens | 3-oxoacyl-acyl-carrier protein reductase - Plasmodium falciparum | 6-phosphogluconate dehydrogenase - Homo sapiens | Glucose-6-phosphate 1-dehydrogenase - Saccharomyces cerevisiae S288c | Apoptosis regulator Bcl-2 - Homo sapiens | Heat shock protein HSP 90-beta - Homo sapiens | Enoyl-acyl-carrier protein reductase - Plasmodium falciparum | Fatty acid synthase - Plasmodium falciparum |Org= Rattus norvegicus | Human herpesvirus 1 | Plasmodium falciparum | Human immunodeficiency virus 1 |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Basophilic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|Uterine Neoplasms|leiomyoma|Gen=Others |
3D viewer |
Pubchem |
3FNU 3QS1 3KDB |
1287 |
84650-60-2 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
|
281.36000 |
|
0 |
0 |
0 |
197.00 |
0.0 |
33 |
4 |
Tea polyphenols are chemical compounds such as flavanoids and tannins found naturally in tea. Several biological properties have been associated to tea polyphenols (TP), including antioxidant, anti-carcinogenic and antimicrobial activities. |
N/A |
| Aloperine |
bioactive compound |
Sophora flavescens |
Path=BCL2 pathway|PARP1 pathway|Gen=Anti-infection |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Esophageal and Esophagogastric Junction Cancers|Esophageal squamous cell carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=Microbiology |
3D viewer |
Pubchem |
|
162147 |
56293-29-9 |
C1CCN2CC3CC(C2C1)C=C4C3NCCC4 |
|
232.36000 |
C15H24N2 |
1.998 |
0 |
1 |
15.30 |
0.0 |
17 |
|
Aloperine is an isolated alkaloid in sophora plants such as Sophora alopecuroides L, and exhibits anti-inflammatory, antibacterial, antiviral, and anti-tumor properties. |
N/A |
| Bergapten |
clinical |
Aegle marmelos|Heracleum lanatum| |
Gen=DNA/RNA Synthesis |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Melanoma|Murine Melanoma|Gen=DNA Damage |
3D viewer |
Pubchem |
|
2355 |
484-20-8 |
COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 |
BGEBZHIAGXMEMV-UHFFFAOYSA-N |
216.19000 |
C12H8O4 |
2.187 |
4 |
0 |
48.70 |
1.0 |
16 |
|
Bergapten is a psoralen that can be photoactivated and is capable of crossing-linking DNA, covalently modifying proteins and lipids, and consequently inhibiting cell replication. |
N/A |
| Naringenin |
clinical |
Citrus spp|Salix hulteni|Cirsium setosum|Scutellaria barbata|Chrysanthemum x morifolium|Smilax china|Citrus aurantium|Smilax glabra|Citrus maxima|Solanum nigrum|Citrus natsudaidai|Citrus sinensis|Crocus sativus|Sophora japonica|Dalbergia odorifera|Spatholobus suberectus|Dendrobium candidum|Thymus quinquecostatus|Dendrobium chrysanthum|Thymus vulgaris|Dendrobium chrysotoxum|Turpinia arguta|Dendrobium fimbriatum|Typha angustifolia|Dendrobium loddigesii|Typha orientalis|Dendrobium nobile|Vitex negundo|Dendrobium catenatum|Zingiber officinale|Desmodium styracifolium|Erigeron breviscapus|Euonymus alatus|Citrus unshiu|Euphorbia hirta|Prunus persica|Foeniculum vulgare|Helichrysum arenarium|Glycyrrhiza glabra|Prunus mume|Glycyrrhiza inflata|Citrus grandis|Glycyrrhiza uralensis|Prunus davidiana|Hedysarum polybotrys|Prunus yedoensis|Humulus lupulus|Garcinia multiflora|Lysimachia christinae|Fallopia multiflora|Trigonella foenum-graecum|Persicaria orientalis|Camellia sinensis var. assamica (masters) kitamura|Citrus trifoliata|Anacardium occidentale|Prunus serrulata var. spontanea|Alpinia katsumadai|Rhododendron dauricum|Breea segeta |
Path=OGG1 pathway|Cytochrome P450 3A4 - Homo sapiens | Voltage-gated L-type calcium channel alpha-1C subunit - Rattus norvegicus | Beta-glucocerebrosidase - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Geminin - Homo sapiens | Ferritin light chain - Equus caballus | Luciferin 4-monooxygenase - Photinus pyralis | Arachidonate 12-lipoxygenase - Homo sapiens | Arachidonate 5-lipoxygenase - Homo sapiens | DNA polymerase iota - Homo sapiens | 6-phospho-1-fructokinase - Trypanosoma brucei |Org= Plasmodium falciparum |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|mouse stomach cancer|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|Prostate Adenocarcinoma|Soft Tissue Sarcoma|Mouse sarcoma|Gen=Metabolism |
3D viewer |
Pubchem |
4A87 2BRT 2UXU 1EYQ |
439246 |
480-41-1 |
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O |
FTVWIRXFELQLPI-UHFFFAOYSA-N |
272.25000 |
C15H12O5 |
2.373 |
2 |
3 |
87.00 |
1.0 |
20 |
3 |
Naringenin is a natural predominant flavanone derived from plant food, which is considered to have a bioactive effect on human health as antioxidant, free radical scavenger, anti-inflammatory, carbohydrate metabolism promoter, and immune system modulator. |
NSC 34875, S-Dihydrogenistein, NSC 11855, Salipurol |
| Caffeic Acid |
clinical |
Plantago major|Hedeoma drummondii|Inonotus obliquus|Euonymus alatus |Punica granatum| |
Path=NFKB6 pathway|MMP2 pathway|MMP9 pathway|NFKB1 pathway|Gen=Others |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|Gen=Others |
3D viewer |
Pubchem |
1XV5 6C7Q 6BJ6 6BJ7 |
689043 |
331-39-5 |
C1=CC(=C(C=C1C=CC(=O)O)O)O |
GCTFYNLEUZVUTG-UHFFFAOYSA-M |
180.16000 |
C9H8O4 |
1.443 |
1 |
2 |
77.80 |
2.0 |
13 |
|
Caffeic acid is a hydroxycinnamic acid, a naturally occurring organic compound. |
N/A |
| Tanshinone I |
clinical |
Salvia miltiorrhizae |Salvia digitaloides|Uvaria klaineana|Cladonia bellidiflora|Artemisia siversiana|Salvia przewalskii var. mandarinorum|Ritterella rubra|Camptothecium lutescens|Salvia flava|Bothriocline longipes|Salvia przewalskll|Salvia przewalskii|Salvia miltiorrhiza|Dioscorea communis|Amentotaxus yunnanensis|Salvia karabachensis|Metzgeria pubescens|Amaranthus hybr|Angelica decursiva|Euphorbia retusa|Glycyrrhiza triphylla|Notholaena dealbata|Peucedanum praeruptorum|Euphorbia sancta|Prunella vulgaris|Combretum indicum|Hydrolithon reinboldii|Picradeniopsis pringlei|Asphodeline tenuior|Pleurophycus gardneri|Salvia bowleyana|Iris hoogiana|Phallusia fumigata|Salvia yunnanensis|Agathosma thymifolia|Salvia castanea|Radix salviae|Peucedani radix|Veronicastrum sibiricum|Vicia sativa|Salvia bulleyana|Allochromatium minutissimum|Delphinium cyphoplectrum|Salvia trijuga|Salvia prionitis|Glycine falcata|Aquilaria sinensis|Stauntonia obovatifoliola|Decachaeta ovatifolia|Deguelia hatschbachii|Rhabdia lycioides|Salvia sinica|Streptomyces lateritius|Palmaria palmata|Salvia sclarea|Senecio madagascariensis|Viburnum sieboldi |
Path=BIRC5 pathway|AKT1 pathway|PIK3R1 pathway|BAX pathway|CASP3 pathway|PARP1 pathway|BCL2 pathway|ICAM1 pathway|VEGFA pathway|TP53 pathway|CYCS pathway|N/A|CASP9 pathway|CCNE1 pathway|CD44 pathway|COL4A2 pathway|GNAL pathway|HRAS pathway|ICAM4 pathway|IL19 pathway|IL8 pathway|JUND pathway|MAP2K3 pathway|MMP2 pathway|MYC pathway|NFKB1 pathway|NRAS pathway|PDGFA pathway|RAC1 pathway|RIPK1 pathway|SHB pathway|TNFRSF10B pathway|AURKA pathway|CCNB1 pathway|CDK1 pathway|Gen=Phospholipase (e.g. PLA)|Acetylcholinesterase - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | SARS coronavirus 3C-like proteinase - SARS coronavirus | Monoglyceride lipase - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Geminin - Homo sapiens | Carboxylesterase 2 - Homo sapiens | Nonstructural protein 1 - Influenza A virus | Microtubule-associated protein tau - Homo sapiens | Streptokinase A - Streptococcus pyogenes serotype M1 | Chromobox protein homolog 1 - Homo sapiens | Protein-tyrosine phosphatase 1C - Homo sapiens | DNA polymerase beta - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Bloom syndrome protein - Homo sapiens | Protein-tyrosine phosphatase 2C - Homo sapiens | Acyl coenzyme A:cholesterol acyltransferase - Homo sapiens | Serine/threonine-protein kinase PLK1 - Homo sapiens | DNA polymerase eta - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Protease - Human immunodeficiency virus 1 | P-glycoprotein 1 - Homo sapiens | Glycoprotein hormones alpha chain - Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens | DNA polymerase iota - Homo sapiens | Vitamin D receptor - Homo sapiens | Telomerase reverse transcriptase - Homo sapiens | DNA polymerase kappa - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 - Homo sapiens |Org= Plasmodium falciparum | Saccharomyces cerevisiae | Streptococcus sp. 'group A' | Streptococcus |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|multidrug-resistant CEM/ADR5000 leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Breast Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Lung Epithelial Carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=Metabolism |
3D viewer |
Pubchem |
4M0E |
114917 |
568-73-0 |
CC1=CC=CC2=C1C=CC3=C2C(=O)C(=O)C4=C3OC=C4C |
IOUNDPHKKPZPKB-UHFFFAOYSA-N |
276.29000 |
C18H12O3 |
4.084 |
3 |
0 |
47.30 |
0.0 |
21 |
4 |
Tanshinone I, an active principle isolated from Salvia miltiorrhiza (Danshen), is structurally similar to tanshinone IIA and may possess similar cytotoxic effects on tumor cells. |
N/A |
| Indole-3-carbinol |
clinical |
Brassica spp|Leptosphaeria maculans|Haliclona oculata |
Path=BCL2 pathway|BCL2A1 pathway|BIRC2 pathway|BIRC3 pathway|BIRC5 pathway|CCND1 pathway|CFLAR pathway|MMP9 pathway|NFKB1 pathway|NFKBIA pathway|PTGS2 pathway|TRAF1 pathway|XIAP pathway|CDC25A pathway|CDK4 pathway|CDK6 pathway|CDKN1A pathway|ESR1 pathway|GATA3 pathway|RB1 pathway|N/A|CXCR4 pathway|CDKN1B pathway|AHR pathway|IFNGR1 pathway|CDK2 pathway|STAT1 pathway|BAX pathway|CCND2 pathway|JUND pathway|RELA pathway|CASP3 pathway|CASP8 pathway|CASP9 pathway|PARP1 pathway|BAK1 pathway|PSA pathway|AR pathway|BAD pathway|BCL2L1 pathway|EGFR pathway|AKT1 pathway|PI3CA parhway|CDKN2A pathway|TP53 pathway|Gen=NF-?B|Gen=NF-?B|Acetylcholinesterase - Electrophorus electricus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Androgen Receptor - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 - Homo sapiens | Anthrax lethal factor - Bacillus anthracis | Geminin - Homo sapiens | Aryl sulfotransferase - Rattus norvegicus | Heat shock protein beta-1 - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | Nuclear factor NF-kappa-B p105 subunit - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | Interleukin-8 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Cholinesterase - Equus caballus | Nuclear receptor ROR-gamma - Homo sapiens |Org= Plasmodium falciparum | Leptosphaeria maculans |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Head and Neck Cancers|Oral Squamous Cell Carcinoma|Multiple Myeloma|Multiple Myeloma |Non-Hodgkin's Lymphomas|Adult T-cell leukemia/lymphoma|Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=NF-?B |
3D viewer |
Pubchem |
|
3712 |
700-06-1 |
C1=CC=C2C(=C1)C(=CN2)CO |
IVYPNXXAYMYVSP-UHFFFAOYSA-N |
147.18000 |
C9H9NO |
1.518 |
0 |
2 |
36.00 |
1.0 |
11 |
2 |
Indole-3-carbinol is produced by the breakdown of the glucosinolate glucobrassicin, which can be found at relatively high levels in cruciferous vegetables. Indole-3-carbinol suppresses NF-?B and I?B? kinase activation. |
N/A |
| Iso-Steviol |
clinical |
Stevia rebaudiana |
Gen=Others |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
99514 |
27975-19-5 |
CC12CCC3C4(CCCC(C4CCC3(C1)CC2=O)(C)C(=O)O)C |
KFVUFODCZDRVSS-UHFFFAOYSA-N |
318.45000 |
C20H30O3 |
3.924 |
2 |
0 |
54.40 |
1.0 |
23 |
|
Isosteviol (ISV) is mainly obtained by acid hydrolysis of stevioside, the sweet food additive extracted from the plant Stevia Rebaudiana Bertoni (Bertoni). It possesses various biological activities including anti-hyperglycemic, anti-hypertensive, anti-tumor, anti-inflammatory, and antioxidant effects. |
N/A |
| Cinchonine(LA40221) |
clinical |
Cinchona spp |
Gen=Others|Glucose transporter - Homo sapiens | Glucose transporter - Leishmania mexicana | Hexose transporter 1 - Plasmodium falciparum | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Geminin - Homo sapiens | Cytochrome P450 2D6 - Homo sapiens | Reverse transcriptase - Human immunodeficiency virus 1 | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus |Org= Plasmodium falciparum | Trypanosoma brucei brucei | Plasmodium falciparum 3D7 | Plasmodium falciparum (isolate K1 / Thailand)|Cholinesterase - Equus caballus | Glucose transporter - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | Leishmania mexicana mexicana |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Chronic Myelogenous Leukemia|Gen=Angiogenesis |
3D viewer |
Pubchem |
|
90454 |
118-10-5 |
C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O |
KMPWYEUPVWOPIM-QAMTZSDWSA-N |
294.40000 |
C19H22N2O |
2.75 |
1 |
1 |
36.40 |
3.0 |
22 |
2 |
Cinchonine is an alkaloid and a stereoisomer and pseudo-enantiomer of cinchonidine. |
N/A |
| Apigenin |
clinical |
Dracocephalum kotschyi|Centaurea arenaria|Ficus formosana|Hypericum perforatum|Marticaria chamomilla| |
Path=CYP1A1 pathway|CYP1B1 pathway|Gen=P450 (e.g. CYP17) |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Fibrosarcoma|Murine Fibrosarcoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Hepatoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Non-Melanoma Skin Cancers|human fetal foreskin fibroblast|Prostate Cancer|prostate Carcinoma|Prostate Adenocarcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Gen=Metabolism |
3D viewer |
Pubchem |
5AUV 5I2H 4HKK 4DER |
5280443 |
520-36-5 |
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
KZNIFHPLKGYRTM-UHFFFAOYSA-N |
270.24000 |
C15H10O5 |
2.41 |
2 |
3 |
87.00 |
1.0 |
20 |
|
Apigenin is a potent P450 inhibitor for CYP2C9 with Ki of 2 ?M. |
NSC 83244, LY 080400 |
| Oleanolic Acid |
clinical |
Plantago major|Viburnum awabuki|Prunus dulcis|Olea europaea|Pygeum africanum|Achyranthes bidentata|Achyranthes fauriei|Achyranthes japonica| |
Path=AR pathway|Beta-lactamase AmpC - Escherichia coli K-12 | Streptokinase A - Streptococcus pyogenes serotype M1 | Rap guanine nucleotide exchange factor 4 - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | DNA polymerase beta - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus |Org= Plasmodium falciparum | Streptococcus | Streptococcus sp. 'group A'|Glycogen phosphorylase, muscle form - Oryctolagus cuniculus | Protein-tyrosine phosphatase 1B - Homo sapiens | T-cell protein-tyrosine phosphatase - Homo sapiens |Org= Staphylococcus aureus | Mycobacterium tuberculosis | Mycobacterium tuberculosis H37Rv | Plasmodium falciparum | Bacillus subtilis |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|Gen=Microbiology |
3D viewer |
Pubchem |
|
10494 |
508-02-1 |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C |
MIJYXULNPSFWEK-GTOFXWBISA-N |
456.70000 |
C30H48O3 |
6.282 |
1 |
1 |
57.50 |
1.0 |
33 |
5 |
Oleanolic Acid is a non-toxic, hepatoprotective triterpenoid found in Phytolacca Americana, which exerts antitumor and antiviral properties. |
Caryophyllin |
| Chlorogenic Acid |
clinical |
Plantago major|Hedeoma drummondii|Euonymus alatus |Lonicera japonica|Flos lonicerae|Lonicera hypoglauca| |
Path=MMP9 pathway|MAPK14 pathway|MAPK8 pathway|Gen=Others|Lysine-specific demethylase 4D-like - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Gen=Others |
3D viewer |
Pubchem |
5GMU |
1794427 |
327-97-9 |
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
PDRYGDFJGDJWPN-UHFFFAOYSA-N |
354.31000 |
C16H18O9 |
-0.34 |
3 |
4 |
165.00 |
5.0 |
25 |
2 |
Chlorogenic acid is a hydroxycinnamic acid and a member of a family of naturally occurring organic compounds. |
NSC 407296, Heriguard |
| (-)Epicatechin |
clinical |
Hamamelis virginiana|Salix hulteni|Diospyros kaki|Ulmus davidiana|Litchi chinensis|Theobroma cocoa|Polygonum cuspidatum|Centella asiatica|Rheum officinale|Polyporus ellisii|Uncariae ramulus cumuncis|Ampelopsis japonica|Chaenomeles sinensis|Rheum palmatum|Spirographis spallanzani|Herbahypericiperforati|Houttuynia cordata|Chaenomeles speciosa|Rheum tanguticum|Cissus quinquefolia|Areca catechu|Hippophae rhamnoides|Cinamomum cassia|Rosa laevigata|Dioscoreaebulbiferae|Eucommia ulmoides|Cinnamomum aromaticum|Sargentodoxa cuneata|Rabdosia rosthornii|Agrimonia pilosa|Crataegus pinnatifida|Smilax china|Streptomyces libani|Lysimachiae herba|Drynaria fortunei|Cynomorium songaricum|Smilax glabra|Laurencia snyderae|Rhizoma fagopyri cymosi|Rumex japonicus|Solanum nigrum|Celastri orbiculati fructus|Crataegi folium|Fagopyrum dibotrys|Spatholobus suberectus|Hordei fructus germinatus|Semen aesculi|Euphorbia hirta|Thymus quinquecostatus|Gleditsiae fructus|Apocyniveneti folium|Morus alba|Ginkgo biloba|Thymus vulgaris|Phaseoli semen|Scutellaria baicalensis|Gleditsia japonica|Uncaria gambir|Herba pyrolae|Uncaria sinensis|Gleditsia sinensis|Uncaria macrophylla|Folium nelumbinis|Poria cocos|Uncaria rhynchophylla|Hippophae fructus|Polygonum orientale|Humulus lupulus|Nelumbo nucifera|Hypericum perforatum|Vigna angularis|Vigna umbellata|Actinidia chinensis planch|Lilium brownii|Vigna umbeuata|Amomum tsao-ko|Dimocarpus longan|Lilium lancifolium|Vitex negundo|Eucommiae cortex|Portulaca oleracea|Zanthoxylum bungeanum|Rumex nepalensis|Zanthoxylum piperitum|Cinnamomi ramulus|Lilium pumilum|Perilla frutescens|Zanthoxylum schinifolium|Arecae semen|Paeonia lactiflora|Morus bombycis|Ixeris tamagawaensis|Zingiber officinale|Gleditsiae spina|Murraya exotica|Senecio dryophyllus|Ziziphus jujuba|Abutilon theophrasti|Murraya paniculata|Senecio sinuatus|Hymenopenaeus sibogae|Senegalia catechu|Orostachys fimbriata|Heliomeris multiflora|Casimiroa tetrameria|Inula graveolens|Aloe africana|Orostachys japonicus|Aster koraiensis|green tea|Aloe vera|Aloe ferox|Bactrocera cucumis|Collisella limatula|Aloe spicata|Fallopia multiflora|Solanum giganteum|Aglaia oligophylla|Ageratum houstonianum|Apocynum venetum|Prunus mume|Ligularia dentata|Aspergillus heterothallicus|Punica granatum|Colchicum speciosum|Boehmeria nivea|Rheum coreanum|Licania pittieri |
Path=MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|Gen=ROS|Neuraminidase - Influenza A virus | Fatty acid synthase - Homo sapiens | Cyclooxygenase-1 - Ovis aries | Beta-secretase 1 - Homo sapiens |Org= Meloidogyne incognita | Plasmodium falciparum |
Dis=Hepatobiliary Cancer|Hepatoma|Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Neuroblastoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
4MA6 6AX0 6AWV 6AWT |
72276 |
490-46-0 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
PFTAWBLQPZVEMU-AFYYWNPRSA-N |
290.27000 |
C15H14O6 |
2.021 |
1 |
5 |
110.00 |
1.0 |
21 |
3 |
(?)Epicatechin is a flavonoid present in cocoa, green tea and red wine. It is a strong antioxidant, has insulin mimic action and improves heart health. |
L-Epicatechin, (-)-Epicatechol |
| (+)-Catechin |
clinical |
Hamamelis virginiana|Salix hulteni|Diospyros kaki|Ulmus davidiana|Litchi chinensis|Theobroma cocoa|Polygonum cuspidatum|Centella asiatica|Rheum officinale|Polyporus ellisii|Uncariae ramulus cumuncis|Ampelopsis japonica|Chaenomeles sinensis|Rheum palmatum|Spirographis spallanzani|Herbahypericiperforati|Houttuynia cordata|Chaenomeles speciosa|Rheum tanguticum|Cissus quinquefolia|Areca catechu|Hippophae rhamnoides|Cinamomum cassia|Rosa laevigata|Dioscoreaebulbiferae|Eucommia ulmoides|Cinnamomum aromaticum|Sargentodoxa cuneata|Rabdosia rosthornii|Agrimonia pilosa|Crataegus pinnatifida|Smilax china|Streptomyces libani|Lysimachiae herba|Drynaria fortunei|Cynomorium songaricum|Smilax glabra|Laurencia snyderae|Rhizoma fagopyri cymosi|Rumex japonicus|Solanum nigrum|Celastri orbiculati fructus|Crataegi folium|Fagopyrum dibotrys|Spatholobus suberectus|Hordei fructus germinatus|Semen aesculi|Euphorbia hirta|Thymus quinquecostatus|Gleditsiae fructus|Apocyniveneti folium|Morus alba|Ginkgo biloba|Thymus vulgaris|Phaseoli semen|Scutellaria baicalensis|Gleditsia japonica|Uncaria gambir|Herba pyrolae|Uncaria sinensis|Gleditsia sinensis|Uncaria macrophylla|Folium nelumbinis|Poria cocos|Uncaria rhynchophylla|Hippophae fructus|Polygonum orientale|Humulus lupulus|Nelumbo nucifera|Hypericum perforatum|Vigna angularis|Vigna umbellata|Actinidia chinensis planch|Lilium brownii|Vigna umbeuata|Amomum tsao-ko|Dimocarpus longan|Lilium lancifolium|Vitex negundo|Eucommiae cortex|Portulaca oleracea|Zanthoxylum bungeanum|Rumex nepalensis|Zanthoxylum piperitum|Cinnamomi ramulus|Lilium pumilum|Perilla frutescens|Zanthoxylum schinifolium|Arecae semen|Paeonia lactiflora|Morus bombycis|Ixeris tamagawaensis|Zingiber officinale|Gleditsiae spina|Murraya exotica|Senecio dryophyllus|Ziziphus jujuba|Abutilon theophrasti|Murraya paniculata|Senecio sinuatus|Hymenopenaeus sibogae|Senegalia catechu|Orostachys fimbriata|Heliomeris multiflora|Casimiroa tetrameria|Inula graveolens|Aloe africana|Orostachys japonicus|Aster koraiensis|green tea|Aloe vera|Aloe ferox|Bactrocera cucumis|Collisella limatula|Aloe spicata|Fallopia multiflora|Solanum giganteum|Aglaia oligophylla|Ageratum houstonianum|Apocynum venetum|Prunus mume|Ligularia dentata|Aspergillus heterothallicus|Punica granatum|Colchicum speciosum|Boehmeria nivea|Rheum coreanum|Licania pittieri |
Path=MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|Gen=ROS|Neuraminidase - Influenza A virus | Fatty acid synthase - Homo sapiens | Cyclooxygenase-1 - Ovis aries | Beta-secretase 1 - Homo sapiens |Org= Meloidogyne incognita | Plasmodium falciparum |
Dis=Hepatobiliary Cancer|Hepatoma|Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Neuroblastoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
4C9I 4C94 3I52 |
9064 |
154-23-4 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
PFTAWBLQPZVEMU-DZGCQCFKSA-N |
290.27000 |
C15H14O6 |
2.021 |
1 |
5 |
110.00 |
1.0 |
21 |
3 |
Cianidanol is an antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms. |
Cianidanol, Catechinic acid, Catechuic acid |
| Betulinic acid |
clinical |
Betula platyphylla|Dillenia indica|Prunus dulcis|Ulmus davidiana|Zizyphus cambodiana|Narcissus tazetta|Narcissus cantabricus|Anomala cuprea|Bidens frondosa|Solanum tuberosum|Ascochyta cypericola|Zanthoxylum zanthoxyloides|Halorosellinia oceanica|Helichrysum candolleanum|Daedalea dickinsii|Primnoa resedaeformis|Schefflera heptaphylla|Carya alba|Primula veris|Ilex latifolia|Quararibea funebris|Diphylleia grayi|Conringia orientalis|Hedysarum alpinum|Sparganii rhizoma|Halictus sexcinctus|Lycopi herba|Myristica dactyloides|Mentha javanica|Coussarea paniculata|Maytenus cuzcoina|Maytenus chiapensis|junellia tridens|Microtropis fokienensis|perrottetia arisanensis|Parmelia taylori|Orontium japonicum|Balanocarpus zeylanicus|Clematis rehderiana|Diospyros dendo |
Path=BCL2 pathway|CCND1 pathway|BAX pathway|GLI1 pathway|Gen=Topoisomerase|Org=Mycobacterium tuberculosis |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioma|Medulloblastoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Multiple Myeloma|Plasmacytoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Thyroid Cancer|Follicular carcinoma|Gen=DNA Damage |
3D viewer |
Pubchem |
5LSG |
64971 |
472-15-1 |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O |
QGJZLNKBHJESQX-UHFFFAOYSA-N |
456.70000 |
C30H48O3 |
6.546 |
1 |
1 |
57.50 |
2.0 |
33 |
5 |
Betulinic acid, a pentacyclic triterpenoid from Syzigium claviflorum, is a inhibitor of HIV-1 with EC50 of 1.4 &mu M. Phase 1/2. |
ALS-357 |
| Eleutheroside B |
clinical |
Kalopanax pictus |
Gen=Immunology & Inflammation related |
Dis=Acute Lymphoblastic Leukemia|Mouse Lymphoblastic Leukemia|murine lymphoblastoid cell|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
|
5316860 |
118-34-3 |
COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CCO |
QJVXKWHHAMZTBY-UHFFFAOYSA-N |
372.37000 |
C17H24O9 |
-0.512 |
4 |
5 |
138.00 |
7.0 |
26 |
|
Eleutheroside B (syringin) is a phenylpropanoid glycoside first isolated from A. senticosus and has neuroprotective, tonic, adaptogenic, and immune-modulating properties. |
syringin, Syringoside, Lilacin |
| Cordycepin |
clinical |
Cordyceps sinensis|Cordyceps militaris|cordyceps militaris bcc 2816|Ophiocordyceps sinensis |
Path=MMP9 pathway|JUND pathway|NFKB1 pathway|TNF pathway|AKT1 pathway|MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|NFKBIA pathway|Gen=Others|Mitochondrial import inner membrane translocase subunit TIM23 - Saccharomyces cerevisiae S288c | ATP-dependent molecular chaperone HSP82 - Candida albicans (strain WO-1) (Yeast) | Adenosine A1 receptor - Rattus norvegicus | Hepatitis C virus NS5B RNA-dependent RNA polymerase - Hepatitis C virus |Org= Human immunodeficiency virus 1 | Trypanosoma brucei | Trypanosoma brucei brucei | Vaccinia virus | Trypanosoma cruzi | Plasmodium falciparum (isolate K1 / Thailand) | Human herpesvirus 1 | Leishmania donovani | Hepatitis C virus | Trichomonas vaginalis |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Bladder Cancer|Bladder carcinoma|Transitional Cell Carcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Murine BV2 microglia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Melanoma|Murine Melanoma|Gen=Others |
3D viewer |
Pubchem |
5M5K 6F3P 3B4C 3B4B |
6303 |
73-03-0 |
C1C(OC(C1O)N2C=NC3=C2N=CN=C3N)CO |
QLEOCAHPCDUGFN-UHFFFAOYSA-N |
251.24000 |
C10H13N5O3 |
-1.308 |
4 |
3 |
119.00 |
2.0 |
18 |
3 |
Cordycepin is an adenosine analogue, which is readily phosphorylated to its mono-, di-, and triphosphate intracellularly. It has a very potent anti-cancer, anti-oxidant and anti-inflammatory activities. |
N/A |
| Emodin |
clinical |
Rhubarb rhabarbarum|Rheum palmatum|Ventilago madraspatana| |
Path=CCL2 pathway|N/A|ICAM1 pathway|IL6 pathway|IL8 pathway|MAPK14 pathway|NFKBIA pathway|TNF pathway|TNFRSF14 pathway|ITGB1 pathway|PTK2 pathway|PXN pathway|VCL pathway|GRB2 pathway|HIF1A pathway|MMP2 pathway|MMP7 pathway|MMP9 pathway|NFKB1 pathway|JUN pathway|PTGS2 pathway|RHOA pathway|VEGFA pathway|BCL2 pathway|BAX pathway|CASP3 pathway|CASP8 pathway|CASP9 pathway|CCNB1 pathway|AIFM1 pathway|CDKN1A pathway|CYCS pathway|DDIT3 pathway|CCNA1 pathway|CDC25C pathway|CDK1 pathway|IGFBP3 pathway|NR1H4 pathway|CDK2 pathway|CDKN1B pathway|CHEK2 pathway|CYP1A1 pathway|CYP1B1 pathway|CYR61 pathway|SERPINE1 pathway|SLC7A1 pathway|SOS1 pathway|MCL1 pathway|IL6ST pathway|MAPK9 pathway|STAT3 pathway|BIRC5 pathway|ATM pathway|TP53 pathway|Gen=Dehydrogenase |
Dis=Acute Myeloid Leukemia|Acute Monocytic Leukemia |Breast Cancer|Ductal Adenocarcinoma|Breast Carcinoma|Central Nervous System Cancers|Neuroblastoma|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Ehrlich Ascites Carcinoma (EAC)|Head and Neck Cancers|Oral Squamous Cell Carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Melanoma|malignant melanoma|Multiple Myeloma|Multiple Myeloma |Plasmacytoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Gen=Metabolism |
3D viewer |
Pubchem |
3BQC 3ED0 3PZH 3CSD |
3220 |
518-82-1 |
CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O |
RHMXXJGYXNZAPX-UHFFFAOYSA-N |
270.24000 |
C15H10O5 |
2.568 |
2 |
3 |
94.80 |
0.0 |
20 |
|
Emodin is a purgative resin, 6-methyl-1,3,8-trihydroxyanthraquinone, from rhubarb, the buckthorn and Japanese Knotweed (Fallopia japonica). |
N/A |
| Ursolic Acid |
clinical |
Origanum dictamnus|Plantago asiatica|Crataegus pinnatifida|Scrophularia ningpoensis|Prunus dulcis|Vaccinium macrocarpon|Rosmarinus officinalis|Ficus microcarpa|Aralia decaisneana|Eriobotrya japonica|Pygeum africanum|calceolaria pinifolia|Piper aequale|Isodon loxothyrsus|Viscum coloratum|Diospyros tricolor|Acrocomia sclerocarpa|Eriostemon deserti|Streptomyces roseoviolaceus|Brugmansia arborea|Abrus pulchellus subsp. cantoniensis|Senecio scandens|Alkanna hirsutissima|Ruta oreojasme|Monascus purpureus|Rhododendron barbatum|Clutia richardiana|Drypetes roxburghii|Melaleuca uncinata|Shigella flexneri|Avrainvillea nigricans|Mentha pulegiformis|Calea megacephala|Halopitys incurvus|Lecanora lividocinerea|Abies nobilis|Cordyline indivisa|Vinca major|Grindelia nana|Formica fusca|Picris radicata|Vitex trifolia|Bambusa chungii|Polyphaga sinensis|Rodgersia podophylla|Drymonia macrophylla|Schisandra lancifolia|Cremastra appendiculata|Hakea saligna|Gynura elliptica|Amsinckia menziesii|Jasminum grandiflorum|Urtica fissa|Psittacanthus cucullaris|Buddleja variabilis|Pinus picea|Didemnum inarmatum|Disepalum plagioneurum|Dipodium punctatum|Ostrinia nubilalis|Aromadendron elegans|Delphinium campylocentrum|Haloxylon salicornicum|Glenodinium halli|Relbunium atherodes|Gentiana pyrenaica|Bursatella leachi|Pycnocoma cornuta|Vallaris solanacea|Lesquerella auriculata|Laurencia caraibica|Osmundaria colensoi|Dacrydium biforme|Primula hirsuta|Leucanthemum maximum|Persea indica|Nephroma australe|Corydalis cornuta|Smenospongia echina|Coronophora gregaria|Scapania nemorea|Corynebacterium ammoniagenes|Viscum album|Relicina connivens|Fagara rubescens|Rhododendron ferrugineum|Dendrobates truncatus|Phegopteris bukoensis|Streptomyces coeruleorubidus|Leptothorax acervorum|Streptomyces misawanensis|Gloxinia erinoides|Eremophila serrulata|Campsis grandiflora| |
Path=CHUK pathway|IKBKB pathway|IL1B pathway|MMP9 pathway|NFKB1 pathway|TNF pathway|NFKBIA pathway|none|PTGS2 pathway|PARP1 pathway|MMP2 pathway|AR pathway|Gen=Others|Glycogen phosphorylase, muscle form - Oryctolagus cuniculus |Org= Staphylococcus aureus | Bacillus subtilis |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Mouse Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Bladder Cancer|Bladder carcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioma|Cervical Cancer|Cervical Carcinoma Papilloma |Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|Nasopharyngeal carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Hepatoma|Melanoma|Murine Melanoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Non-small Cell Lung Cancer|Bronchioalveolar Carcinoma|Lung Epithelial Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|Gen=Others |
3D viewer |
Pubchem |
5K3M 5X8S |
64945 |
77-52-1 |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O |
WCGUUGGRBIKTOS-UHFFFAOYSA-N |
456.70000 |
C30H48O3 |
6.327 |
1 |
1 |
57.50 |
1.0 |
33 |
5 |
Ursolic acid (Malol) is a pentacyclic triterpene acid, used in cosmetics. |
NSC 167406, NSC-4060 |
| (-)-Epigallocatechin Gallate |
clinical |
Diospyros kaki|Myrica rubra|Camellia sinensis|Prunus persica|Punica granatum|Ampelopsis japonica|Rhodiola rosea|Eriobotrya japonica|Morus alba|Ardisia japonica|Portulaca oleracea|Paeonia lactiflora| |
Path=ODC1 pathway|ABCG2 pathway|BCL2 pathway|BAX pathway|CASP3 pathway|PARP1 pathway|AR pathway|PSA pathway|N/A|CDK4 pathway|PCNA pathway|Gen=DNA Methyltransferase,HER2,Telomerase,EGFR,Fatty Acid Synthase|15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Arachidonate 15-lipoxygenase - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Histone acetyltransferase GCN5 - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Vitamin D receptor - Homo sapiens | DNA polymerase kappa - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | HERG - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Galactokinase - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis|Beta-secretase 1 - Homo sapiens|Beta-secretase 1 - Homo sapiens | Fucosyltransferase 4 - Homo sapiens | CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase - Homo sapiens | Alpha-(1,3)-fucosyltransferase 7 - Homo sapiens|Hepatocyte growth factor receptor - Homo sapiens | 3-oxoacyl-acyl-carrier protein reductase - Plasmodium falciparum | 6-phosphogluconate dehydrogenase - Homo sapiens | Glucose-6-phosphate 1-dehydrogenase - Saccharomyces cerevisiae S288c | Apoptosis regulator Bcl-2 - Homo sapiens | Heat shock protein HSP 90-beta - Homo sapiens | Enoyl-acyl-carrier protein reductase - Plasmodium falciparum | Fatty acid synthase - Plasmodium falciparum |Org= Rattus norvegicus | Human herpesvirus 1 | Plasmodium falciparum | Human immunodeficiency virus 1 |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Basophilic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|Uterine Neoplasms|leiomyoma|Gen=DNA Damage |
3D viewer |
Pubchem |
4E1A 4KQR 4KQK 4KQO |
65064 |
989-51-5 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
|
458.37000 |
C22H18O11 |
3.097 |
3 |
8 |
197.00 |
4.0 |
33 |
4 |
(-)-Epigallocatechin Gallate(EGCG) is the main catechin extraction of green tea that inhibits telomerase and DNA methyltransferase. EGCG blocks the activation of EGF receptors and HER-2 receptors. ECGG inhibits fatty acid synthase and glutamate dehydrogenase activity. |
EGCG |
| Luteolin |
clinical |
Plantago major|Dracocephalum kotschyi|Rosmarinus officinalis|Tithonia diversifolia|Vitex rotundifolia|Olea europaea|Eupatorium odoratum|Plantago lagopus|Terminalia arjuna|Vitex trifolia|Perilla leaf|Chrysanthemum morifolium|Carex folliculata|Lonicera japonica|Cyperus alopecuroides|Punica granatum| |
Path=BCL2L1 pathway|BIRC5 pathway|CDK1 pathway|CDK2 pathway|CDK4 pathway|CDKN1A pathway|CDKN1B pathway|MCL1 pathway|CASP3 pathway|CASP8 pathway|CASP9 pathway|MAPK14 pathway|MAPK8 pathway|AIFM1 pathway|APEX2 pathway|NUDT1 pathway|OGG1 pathway|Gen=PDE |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Bladder Cancer|Transitional Cell Carcinoma|Breast Cancer|Breast Carcinoma|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Fibrosarcoma|Murine Fibrosarcoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Hepatoma|Kidney Cancer|kidney cancer|Renal Cell Adenocarcinoma|Melanoma|malignant melanoma|mouse tumor model|DMBA/TPA induced skin carcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|large cell carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Prostate Cancer|Prostate Adenocarcinoma|Small Cell Lung Cancer|Small Cell Lung Carcinoma|Soft Tissue Sarcoma|Mouse sarcoma|Gen=Metabolism |
3D viewer |
Pubchem |
5AUU 4HKN 4QXV 3SZ1 |
5280445 |
491-70-3 |
C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O |
|
286.24000 |
C15H10O6 |
2.168 |
2 |
4 |
107.00 |
1.0 |
21 |
|
Luteolin is a flavonoid found in Terminalia chebula, which is a non-selective phisphodiesterase PDE inhibitor for PDE1-5 with Ki of 15.0 &muM, 6.4 &muM, 13.9 &muM, 11.1 &muM and 9.5 &muM, respectively. Phase 2. |
N/A |
| (-)-Parthenolide |
clinical |
Tanacetum parthenium|Tsuga sieboldii|Lactarius blennius|Sinularia erecta|Silene dioica|Mollugo pentaphylla|Paederia foetida|Dolichos kilimandscharicus|Tuta absoluta|Artemisia phaeolepis|Laurencia dendroidea|Naucleopsis mello-barretoi|Laserpitium siler|Ambrosia psilostachya| |
Path=MLL pathway|MAPK14 pathway|Gen=HDAC,NF-?B,Mdm2,p53|Aldehyde dehydrogenase 1A1 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Parathyroid hormone receptor - Homo sapiens | Vitamin D receptor - Homo sapiens | Ferritin light chain - Equus caballus | Regulator of G-protein signaling 4 - Homo sapiens | Geminin - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens|Acetylcholinesterase - Electrophorus electricus | Nuclear factor NF-kappa-B p65 subunit - Homo sapiens | Nitric oxide synthase, inducible - Mus musculus | Serotonin 2a (5-HT2a) receptor - Rattus norvegicus | Caspase-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Cholinesterase - Equus caballus | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Transcriptional activator Myb - Gallus gallus | NACHT, LRR and PYD domains-containing protein 3 - Homo sapiens | UDP-N-acetylglucosamine 1-carboxyvinyltransferase - Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) | UDP-N-acetylglucosamine 1-carboxyvinyltransferase - Escherichia coli K-12 | Transcription factor Sp1 - Homo sapiens | Cyclooxygenase-2 - Homo sapiens |Org= Plasmodium falciparum | Orobanche cernua var. cumana|TAR DNA-binding protein 43 - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Ataxin-2 - Homo sapiens | Parathyroid hormone receptor - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|pre-B leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Medulloblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Melanoma|malignant melanoma|Skin Cancer|Epithelial cell carcinoma|Small Cell Lung Cancer|Small Cell Lung Carcinoma|Gen=NF-?B |
3D viewer |
Pubchem |
|
7251185 |
20554-84-1 |
CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C |
|
248.32000 |
C15H20O3 |
2.923 |
3 |
0 |
38.80 |
0.0 |
18 |
3 |
(-)-Parthenolide, an inhibitor of the Nuclear Factor-?B Pathway, specifically depletes HDAC1 protein without affecting other class I/II HDACs Also promotes the ubiquitination of MDM2 and activates p53 cellular functions. |
N/A |
| Silymarin |
clinical |
Silybum marianum|Lycium chinense| |
Path=ERBB2 pathway|TP53 pathway|MYC pathway|SLC2A4 pathway|AKT1 pathway|TBC1D4 pathway|CASP3 pathway|LDHA pathway|PSA pathway|N/A|BCL2L1 pathway|MAPK14 pathway|MMP9 pathway|JUN pathway|MAP2K1 pathway|MAPK1 pathway|MAPK3 pathway|MAPK8 pathway|RAF1 pathway|CYCS pathway|EGFR pathway|IGF1R pathway|PTK2 pathway|VEGFA pathway|BID pathway|BIRC5 pathway|CASP8 pathway|CASP9 pathway|CFLAR pathway|TNFRSF10C pathway|DDIT3 pathway|TNFRSF10B pathway|FOS pathway|JUND pathway|MAPK9 pathway|MMP2 pathway|NFKB1 pathway|NFKB2 pathway|PLAU pathway|EIF4G1 pathway|HIF1A pathway|MTOR pathway|RPS6 pathway|RPS6KB2 pathway|STAT3 pathway|SPDEF pathway|CCND1 pathway|MCL1 pathway|EIF2A pathway|PARP1 pathway|Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | DNA polymerase iota - Homo sapiens | DNA polymerase eta - Homo sapiens | Large T antigen - Simian virus 40 | Geminin - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus |Org= Plasmodium falciparum|Tyrosinase - Agaricus bisporus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens |Org= Hepatitis C virus|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus | Tyrosinase - Agaricus bisporus | Cytochrome P450 3A4 - Homo sapiens | Sphingomyelin phosphodiesterase - Homo sapiens | Carbonic anhydrase IX - Homo sapiens | Androgen Receptor - Homo sapiens | Carbonic anhydrase XIV - Homo sapiens | Xanthine dehydrogenase - Bos taurus | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Hypoxia-inducible factor 1 alpha - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Canalicular multispecific organic anion transporter 1 - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Carbonic anhydrase I - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Prelamin-A/C - Homo sapiens | Thrombin - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Microtubule-associated protein tau - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Carbonic anhydrase II - Homo sapiens | Thyroid stimulating hormone receptor - Homo sapiens | Cruzipain - Trypanosoma cruzi | Multidrug resistance-associated protein 1 - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Lysosomal alpha-glucosidase - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Carbonic anhydrase VA - Homo sapiens | Xanthine dehydrogenase - Homo sapiens | Carbonic anhydrase VB - Homo sapiens | Carbonic anhydrase VII - Homo sapiens | Carbonic anhydrase XIII - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | Carbonic anhydrase III - Homo sapiens | Carbonic anhydrase 15 - Mus musculus | Interleukin-8 - Homo sapiens | P-glycoprotein 3 - Mus musculus | Nuclear receptor subfamily 1 group I member 2 - Rattus norvegicus | Xanthine dehydrogenase/oxidase - Rattus norvegicus | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | Carbonic anhydrase IV - Homo sapiens | Carbonic anhydrase XII - Homo sapiens | Carbonic anhydrase VI - Homo sapiens |Org= Mus musculus | Staphylococcus aureus | Pseudomonas aeruginosa | Plasmodium falciparum | Proteus mirabilis |
Dis=Breast Cancer|Breast Adenocarcinoma|Ductal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Central Nervous System Cancers|Glioblastoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
31553 |
22888-70-6 |
COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O |
|
482.44000 |
C25H22O10 |
2.592 |
5 |
5 |
155.00 |
4.0 |
35 |
5 |
Silymarin (Silybin B), a polyphenolic flavonoid extracted from the seeds of Silybum marianum or milk thistle, is used in the prevention and treatment of liver diseases and primary liver cancer. |
Silybin B |
| Tanshinone IIA |
clinical |
Salvia miltiorrhizae |Salvia digitaloides|Allochromatium minutissimum|Ritterella rubra|Deguelia hatschbachii|Euphorbia sancta|Glycyrrhiza triphylla|Euphorbia retusa|Stauntonia obovatifoliola|Asphodeline tenuior|Viburnum sieboldi|Notholaena dealbata|Agathosma thymifolia|Camptothecium lutescens|Senecio madagascariensis|Artemisia siversiana|Metzgeria pubescens|Salvia miltiorrhiza|Phallusia fumigata|Salvia przewalskii|Rhabdia lycioides|Streptomyces lateritius|Radix salviae|Dioscorea communis|Palmaria palmata|Delphinium cyphoplectrum|Peucedani radix|Cladonia bellidiflora|Angelica decursiva|Glycine falcata|Peucedanum praeruptorum|Picradeniopsis pringlei|Combretum indicum|Decachaeta ovatifolia|Pleurophycus gardneri|Hydrolithon reinboldii|Bothriocline longipes|Salvia karabachensis|Salvia sclarea|Vicia sativa|Uvaria klaineana|Iris hoogiana|Amentotaxus yunnanensis|Amaranthus hybr |
Path=BCL2 pathway|BIRC5 pathway|MYC pathway|RB1 pathway|SPI1 pathway|BAX pathway|CASP3 pathway|PARP1 pathway|N/A|CDK2 pathway|CDKN1B pathway|NPM1 pathway|ERBB2 pathway|TP53 pathway|BCL2L1 pathway|CCND1 pathway|STAT3 pathway|MCL1 pathway|CYCS pathway|ESR1 pathway|ESR2 pathway|PCNA pathway|MMP2 pathway|MMP9 pathway|PLAU pathway|RELA pathway|TIMP1 pathway|TIMP2 pathway|CASP8 pathway|IL8 pathway|JUND pathway|NFKB1 pathway|AKT1 pathway|AURKA pathway|CASP9 pathway|MTOR pathway|PIK3CA pathway|CDK1 pathway|CCNB1 pathway|RPS6K pathway|Gen=Lipase|Cholinesterase - Equus caballus | Androgen Receptor - Homo sapiens | Apoptotic protease-activating factor 1 - Homo sapiens | Regulator of G-protein signaling 4 - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Aldose reductase - Rattus norvegicus | Papain - Carica papaya | Acetylcholinesterase - Electrophorus electricus | Acetylcholinesterase - Homo sapiens | Prelamin-A/C - Homo sapiens | Nonstructural protein 1 - Influenza A virus | Aldehyde dehydrogenase 1A1 - Homo sapiens | SARS coronavirus 3C-like proteinase - SARS coronavirus | Geminin - Homo sapiens | Aldose reductase - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Protein-tyrosine phosphatase 1C - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Carboxylesterase 2 - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Protein-tyrosine phosphatase 2C - Homo sapiens | Serine/threonine-protein kinase PLK1 - Homo sapiens | Ferritin light chain - Equus caballus | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens | Histone acetyltransferase GCN5 - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | Lysine-specific demethylase 4A - Homo sapiens | Monoglyceride lipase - Homo sapiens | Telomerase reverse transcriptase - Homo sapiens | DNA polymerase kappa - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | Protease - Human immunodeficiency virus 1 | Acyl coenzyme A:cholesterol acyltransferase - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | Rap guanine nucleotide exchange factor 3 - Homo sapiens | Acyl-CoA synthase - Mycobacterium tuberculosis | Vitamin D receptor - Homo sapiens |Org= Plasmodium falciparum |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|multidrug-resistant CEM/ADR5001 leukemia|Acute Myeloid Leukemia|Acute Monocytic Leukemia |Acute Promyelocytic Leukemia|Bone Cancer|Osteosarcoma|Breast Cancer|Ductal Adenocarcinoma|Breast Adenocarcinoma|Central Nervous System Cancers|Glioma|Cervical Cancer|Cervical Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Kidney Cancer|kidney cancer|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Lung Epithelial Carcinoma|Ovarian Cancer|Murine Ovarian Cancer|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=Metabolism |
3D viewer |
Pubchem |
4M0E |
164676 |
568-72-9 |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
|
294.34000 |
C19H18O3 |
4.66 |
3 |
0 |
47.30 |
0.0 |
22 |
4 |
Tanshinone IIA(Tanshinone B) is the most abundant diterpene quinone in Danshen, Salviae miltiorrhizae Radix, a widely prescribed traditional herbal medicine that is used to treat cardiovascular and inflammatory diseases A natural monoacylglycerol lipase inhibitor. |
Tanshinone B |
| Isoliquiritigenin |
clinical |
Platymiscium floribundum|Herba sedi sarmentosi|Allium ascalonicum|Glycyrrhiza inflata|Rohdea chinensis|Cicer arietinum|Dalbergia stevensonii|Glycyrrhiza yunnanensis|Apis mellifera ligustica|Onobrychis viciifolia|Tephrosia toxicaria|Panicum miliaceum|Dalbergia sericea|Sophora tomentosa|Glycyrrhiza glabra|Caulis spatholobi|Robinia pseudoacacia|Glycyrrhiza uralensis|Dracaena draco|Muntingia calabura|Dalbergiae odoriferae lignum|Spatholobus suberectus|Boehmeriae rhizoma et radix|Hedysarum multijugum maxim|Polygonati rhizoma|Hedysari radix|Caulis millettiae|Lignum dalbergiae odoriferae rosewood|Wikstroemia viridiflora| |
Gen=Others|Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Cytochrome P450 2C19 - Homo sapiens | Pyruvate kinase - Leishmania mexicana | Pyruvate kinase isozymes M1/M2 - Homo sapiens | Cytochrome P450 2D6 - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Cytochrome P450 3A4 - Homo sapiens | Nuclear factor NF-kappa-B p105 subunit - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Cytochrome P450 1A2 - Homo sapiens| |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Colorectal Cancer|ileocecal colorectal adenocarcinoma |Melanoma|Murine Melanoma|Gen=Others |
3D viewer |
Pubchem |
5YX4 1FP1 4RLU |
638278 |
961-29-5 |
C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O |
|
256.25000 |
C15H12O4 |
2.975 |
1 |
3 |
77.80 |
3.0 |
19 |
2 |
Isoliquiritigenin, an anti-tumor flavonoid from the root of Glycyrrhiza glabra, inhibits aldose reductase with an IC50 of 320 nM. |
N/A |
| Schizandrol A |
clinical |
Schisandra chinensis|Schisandra fructus|Lagerstroemia indica|Schisandra sphenanthera|Schisandra rubriflora|Croton megistocarpus|Kadsura angustifolia|schisandra sphenathera|Trigonella foenum-graecum|Schisandra neglecta|Cacospongia scalaris|Baphicacanthus cusia|Persea kusanoi|Senecio isatideus|Geranium sibiricum |
Path=CCNA1 pathway|CCNB1 pathway|CCND1 pathway|CDK4 pathway|CDKN1A pathway|CDKN1B pathway|Gen=Others|Multidrug resistance-associated protein 1 - Homo sapiens | Nonstructural protein 1 - Influenza A virus |Org= Artemia salina | Human immunodeficiency virus 1 | Plasmodium falciparum |
Dis=Breast Cancer|Ductal Adenocarcinoma|Breast Carcinoma|Central Nervous System Cancers|Glioma|Cervical Cancer|Cervical Carcinoma Papilloma |Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|epidermoid carcinoma of the nasopharynx|Hepatobiliary Cancer|Hepatocellular Carcinoma|Neuroendocrine Tumors|Pheochromocytoma|Gen=Others |
3D viewer |
Pubchem |
|
23915 |
7432-28-2 |
CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)OC)OC)OC)OC)OC)OC |
|
432.51000 |
C24H32O7 |
4.05 |
6 |
0 |
75.60 |
6.0 |
31 |
3 |
Schizandrol A is one of the effective components in the dried fruit of Schizandra chinensis Bail and works by increasing dopamine, a neurotransmitter, in the brain. |
N/A |
| Wogonin |
clinical |
Scutellaria baicalensis|Bupleurum scorzonerifolium|Medicosma cunninghamii|Physalis minima|Scutellariae barbatae herba|Scutellaria barbata|Phellodendri amurensis cortex|Anodendron affine|Scutellaria epilobifolia|Dictamni cortex|Arachis hypogaea|Scutellaria viscidula|Forsythiae fructus|Scutellariae radix|Plantago major|Andrographis herba|Scutellaria hypericifolia|Oroxyli semen|Senecio speciosus|Atractylodes lancea|Achyranthis bidentatae radix|Prunus persica|Phellodendron chinense|Astragalus membranaceus|Vincetoxicum amplexicaule|Scutellaria rehderiana|Astragalus mongholicus|Coptis chinensis|Scutellaria lateriflora|Oroxylum indicum|Coptis deltoidea|Coptis japonica|Dioscorea tokoro|Bupleurum chinense|Coptis teeta|Crambe hispanica subsp. abyssinica|Scutellaria balcalensis|Dictamnus dasycarpus|Utricularia vulgaris|Andrographis paniculata|Eucommia ulmoides|Uvaria acuminata|Scutellaria likiangensis|Gardenia jasminoides|Helichrysum lindleyi|Saposhnikovia divaricata|Caesalpinia tinctoria|Cusparia macrocarpa|Eunicea knighti|Andropogon jwarancusa|Chromodoris hamiltoni|Sophora japonica|Anthemis auriculata|Clathrotropis brachypetala|Parinari campestris|Petrosimonia monandra|Undaria pinnatifida|Euphorbia sapinii|Stellaria dichotoma|Stellaria dichotoma var. lanceolata|Scutellaria amoena|Stizophyllum riparium|Dalbergia nigra|Kopsia hainanensis|Kalmia latifolia |
Path=ABCB5 pathway|AR pathway|Gen=CDK,Transferase|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus | Chromobox protein homolog 1 - Homo sapiens | Cyclooxygenase-2 - Mus musculus | Mothers against decapentaplegic homolog 3 - Homo sapiens | Rap guanine nucleotide exchange factor 3 - Homo sapiens | Geminin - Homo sapiens | Xanthine dehydrogenase - Bos taurus | Beta-2 adrenergic receptor - Homo sapiens | Serotonin 7 (5-HT7) receptor - Homo sapiens | Glutaminase kidney isoform, mitochondrial - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Avian myoblastosis virus polyprotein II - Avian myeloblastosis virus | 6-phospho-1-fructokinase - Trypanosoma brucei | Nitric oxide synthase, inducible - Mus musculus | Cyclooxygenase-2 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens |Org= Spodoptera litura | Hepatitis B virus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Lung Epithelial Carcinoma|Squamous Celll Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|Gen=Cell Cycle |
3D viewer |
Pubchem |
6F6A |
5281703 |
632-85-9 |
COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O |
|
284.26000 |
C16H12O5 |
2.636 |
3 |
2 |
76.00 |
2.0 |
21 |
3 |
Wogonin, a natural and biologically-active flavonoid found in plants, is an inhibitor of CDK9 and does not inhibit CDK2, CDK4 and CDK6 at doses that inhibit CDK9 activity Also inhibits N-acetyltransferase. |
Vogonin |
| Tectoridin |
anticancer |
Pueraria thunbergiana|Pueraria montana var. thomsonii|Amorphinopsis foetida|Codonopsis radix|Puerariae flos|Iridis tectori rhizoma|Belamcandae rhizome|Iris domestica|Iris tectorum|Psammosilene tunicoides|Pueraria montana var. lobata|Belamcanda chinensis|Polygonatum odoratum|Maackia amurensis|Iris dichotoma|Astragalus wiedemannianus|Cochlospermum tinctorium|Bertya dimerostigma|Delphinium barbeyi|Asterias rathbuni|Fomes fastuosus |
Gen=Others |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Gen=Others |
3D viewer |
Pubchem |
|
5281810 |
611-40-5 |
COC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O |
|
462.40000 |
C22H22O11 |
0.194 |
5 |
6 |
175.00 |
5.0 |
33 |
4 |
Tectoridin, an isoflavone isolated from flowers of Pueraria thunbergiana, has several pharmacological effects including anti-cancer, anti-inflammatory, antioxidant, and hepatoprotectivy. |
Shekanin |
| Mercaptopurine (6-MP) |
anticancer |
Origanum dictamnus|allium porrum|Entada africana|Lantana fucata |
Gen=DNA/RNA Synthesis|Cellular tumor antigen p53 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Transcriptional regulator ERG - Homo sapiens | Androgen Receptor - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | Cyclooxygenase-1 - Homo sapiens | Solute carrier family 22 member 8 - Rattus norvegicus | Lysine-specific demethylase 4D-like - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Survival motor neuron protein - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Lysine-specific demethylase 4A - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Purine nucleoside phosphorylase - Mycobacterium tuberculosis |Org= Mycobacterium avium subsp. paratuberculosis | Plasmodium falciparum | Escherichia coli | Leishmania amazonensis | Bacillus anthracis | Mycobacterium avium |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Non-small Cell Lung Cancer|Bronchioalveolar Carcinoma|Gen=DNA Damage |
3D viewer |
Pubchem |
3BGD 3NS1 |
667490 |
50-44-2 |
C1=NC2=C(N1)C(=S)N=CN2 |
GLVAUDGFNGKCSF-UHFFFAOYSA-N |
152.18000 |
C5H4N4S |
0.367 |
2 |
2 |
85.20 |
0.0 |
10 |
2 |
Mercaptopurine is a widely used antileukemic agent and immunosuppressive drug that inhibits de novo purine synthesis through incorporation of thiopurine methyltransferase metabolites into DNA and RNA. |
N/A |
| Glycitin |
anticancer |
Pueraria thunbergiana|Glycine max|Semen sojae praeparata|Semen sojae |
Gen=Others|Survival motor neuron protein - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | ATPase family AAA domain-containing protein 5 - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Gen=Others |
3D viewer |
Pubchem |
|
187808 |
40246-10-4 |
COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O |
|
446.40000 |
C22H22O10 |
0.436 |
5 |
5 |
155.00 |
5.0 |
32 |
4 |
Glycitin, a natural isoflavone isolated from legumes, has antibacterial, antiviral and estrogenic activities and may exerts preventative effects on alcoholism, cardiovascular and cerebrovascular diseases and some types of cancer. |
Glycitein-7-?-O-glucoside |
| Oleuropein |
clinical |
Olea europaea|Syringa reticulata|Euodia bodinieri|Euodia officinalis|Euodia ruticarpa|Tetradium ruticarpum|Fraxinus chinensis|Fraxinus chinensis subsp. rhynchophylla|Fraxinus stylosa|Fraxinus szaboana |
Gen=ROS|Arachidonate 5-lipoxygenase - Homo sapiens |Org= Verticillium dahliae |
Dis=Acute Myeloid Leukemia|Erythroleukemia|Bladder Cancer|Transitional Cell Carcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Kidney Cancer|Renal Cell Adenocarcinoma|Melanoma|malignant melanoma|Soft Tissue Sarcoma|Sarcoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
|
5281544 |
32619-42-4 |
CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC(=C(C=C3)O)O |
|
540.51000 |
C25H32O13 |
0.166 |
7 |
6 |
202.00 |
11.0 |
38 |
3 |
Oleuropein is an antioxidant polyphenol isolated from olive leaf. Phase 2. |
N/A |
| Xanthohumol |
clinical |
Humulus lupulus|Abelia chinensis|Hoffmannia strigillosa|Artemisia dentata|Vellozia nanuzae|Faramea salicifolia|Dendronephthya griffini|Piper regnellii|Buddleja cordata|Prorocentrum micans|Gymnocalycium schickendantzii|Rapanea lancifolia|Theonella conica|Lythrum salicaria|Syncarpia hillii|Centaurea maculosa|Latrunculia magnifica|Rhinella marina|Asimina parviflora|Helichrysum tenuifolium|Morella rubra|Lemaireocereus griseus|Ephedra sinica|Syzygium polycephaloides|Erysimum leptophyllum|Pteridium esculentum|Myxococcus stipitatus|Onopordum acanthium|Atalantia racemosa|Sophora flavescens|Lemaireocereus longispinus|Baccharis neglecta|Millettia erythrocalyx|Atraphaxis spinosa|Xenoacremonium recifei|Aplophyllum alberti-regelii|Negombata magnifica|Cordia leucocephala|Conus mus|Dolabella californica|Scorzonera pseudodivaricata|Buphane fischeri|Crambe tatarica|Simarouba glauca|Monsonia senegalensis|Shigella dysenteriae|Embelia schimperi|Alkanna cappadocica|Clerodendrum bungei|Diospyros eriantha|Plathymenia reticulata|Chondrodendron tomentosum|Lycogala epidendrum|Epilobium hirsutum|Haplophyllum obtusifolium|Ononis vaginalis|Hypericum styphelioides|Eria anomala|Tricholoma columbetta|Pteris semipinnata|Euphorbia nematocypha|Embelia parviflora|Pancratium sickenbergeri|Juniperus rigida var. conferta|Fritillaria ningguoensis|Erythrina melanacantha|Vernonia fagifolia|Esenbeckia leiocarpa|Siphonaria capensis|Planchonia grandis|Diospyros assimilis|Salvia hispanica|Mycobacterium leprae |
Path=IL6 pathway|ALPL pathway|PSEN2 pathway|VWF pathway|MKI67 pathway|BAX pathway|BCL2 pathway|BCL2L1 pathway|PARP1 pathway|CASP3 pathway|CASP7 pathway|CASP8 pathway|CASP9 pathway|Gen=COX|Protein kinase C alpha - Homo sapiens | Arachidonate 5-lipoxygenase - Homo sapiens | Prostaglandin E synthase - Homo sapiens | Lymphocyte antigen 96 - Homo sapiens | 3-phosphoinositide dependent protein kinase-1 - Homo sapiens |Org= Human immunodeficiency virus 1 | Plasmodium falciparum |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Bone Cancer|Osteosarcoma|Breast Cancer|Breast Adenocarcinoma|Ductal Adenocarcinoma|Central Nervous System Cancers|Neruoblastoma|Neuroblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Soft Tissue Sarcoma|Sarcoma|Gen=Metabolism |
3D viewer |
Pubchem |
|
639665 |
6754-58-1 |
CC(=CCC1=C(C=C(C(=C1O)C(=O)C=CC2=CC=C(C=C2)O)OC)O)C |
|
354.40000 |
C21H22O5 |
4.816 |
2 |
3 |
87.00 |
6.0 |
26 |
2 |
Xanthohumol, a prenylated chalcone from hop, inhibits COX-1 and COX-2 activity and shows chemopreventive effects. Phase 1. |
N/A |
| (E)-Cardamoni |
anticancer |
Polygonum limbatum|Amomum subulatum|Boesenbergia pandurata|Matsucoccus josephi|Podocarpus macrophyllus|Lactarius mitissimus|Alpinia speciosa|Bethencourtia palmensis|Lemonia spectabilis|Alpinia katsumadai hayat|Alpinia katsumadai|Esox lucius|Kaempferia pandurata|Etlingera elatior|Salix rosmarinifolia|Mentzelia decapetala|Petunia axillaris subsp. parodii|Xylopia emarginata|Salvia patens|Sphaeria rousseliana|Pulsatilla chinensis|Parmotrema nilgherrense|Lepechinia urbanii|Nepytia freemani|Helleborus macranthus|Erythrina hypaphorus|Centaurea scoparia|Mucuna holtonii|Drymaria cordata|Aniba santalodora|Cynoglossum macrostylum|Euphorbia hylonoma|Quercus marilandica|Lonchocarpus chiricanus|Dialium excelsum|Salvia virgata|Hardenbergia violacea|Boswellia ovalifoliolata|Etmopterus spinax|Iris kashmiriana|Maclura cochinchinensis|Rubia akane|Dysidea fragilis|Pterocaulon serrulatum|Thalassiosira weissflogii|Podocarpus dacrydioides|Beilschmiedia madang|Campanula choziatowskyi|Salvia lavanduloides|Colchicum filifolium|Orgyia pseudotsugata|Matricaria sabulosa|Astragalus circassicus|Preussia terricola|Amorphophallus konjac|Centaurea sonchifolia|Senecio platyphylloides|Mimosa pigra|Heliotropium scabrum|Gaillardia coahuilensis |
Path=BCL2 pathway|TNFRSF10C pathway|XIAP pathway|TNFRSF10A pathway|TNFRSF10B pathway|TNFSF10 pathway|Gen=NF-?B,Calcium Channel|Neuropeptide S receptor - Homo sapiens | DNA polymerase iota - Homo sapiens | Geminin - Homo sapiens | Ataxin-2 - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Microtubule-associated protein tau - Homo sapiens | Protease - Human immunodeficiency virus 1 | Dengue virus type 2 NS3 protein - Dengue virus type 2 (strain Thailand/16681/1984) (DENV-2) | Lysine-specific demethylase 4A - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | Voltage-gated potassium channel subunit Kv1.3 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus |Org= Plasmodium falciparum |
Dis=Acute Myeloid Leukemia|Acute Monocytic Leukemia |Colorectal Cancer|Colorectal Adenocarcinoma|Gen=NF-?B |
3D viewer |
Pubchem |
|
641785 |
19309-14-9 |
COC1=CC(=CC(=C1C(=O)C=CC2=CC=CC=C2)O)O |
|
270.28000 |
C16H14O4 |
3.201 |
2 |
2 |
66.80 |
4.0 |
20 |
2 |
Cardamonin is a naturally occurring chalcone with strong anti-inflammatory activity. It is a novel TRPA1 antagonist with IC50 of 454 nM and also a NF-kB inhibitor. |
Alpinetin chalcone, cardamomin |
| Sophoridine |
anticancer |
Sophora flavescens|Planchonia grandis|Plathymenia reticulata|Syzygium polycephaloides|Pteridium esculentum|Abelia chinensis|Siphonaria capensis|Lycogala epidendrum|Sophorae tonkinensis radix et rhizome|Lemaireocereus longispinus|Embelia schimperi|Cordia leucocephala|Sophorae flavescentis radix|Latrunculia magnifica|Eria anomala|Sophora tonkinensis|Asimina parviflora|Erythrina melanacantha|Hypericum styphelioides|Myxococcus stipitatus|Theonella conica|Morella rubra|Faramea salicifolia|Chondrodendron tomentosum|Conus mus|Vellozia nanuzae|Monsonia senegalensis|Piper regnellii|Pancratium sickenbergeri|Onopordum acanthium|Rhinella marina|Helichrysum tenuifolium|Clerodendrum bungei|Embelia parviflora|Esenbeckia leiocarpa|Shigella dysenteriae|Simarouba glauca|Diospyros assimilis|Baccharis neglecta|Gymnocalycium schickendantzii|Centaurea maculosa|Lythrum salicaria|Tricholoma columbetta|Vernonia fagifolia|Dendronephthya griffini|Aplophyllum alberti-regelii|Haplophyllum obtusifolium|Euphorbia nematocypha|Dolabella californica|Erysimum leptophyllum|Epilobium hirsutum|Ephedra sinica|Sophora alopecuroides| |
Path=EIF4E pathway|N/A|MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|CASP3 pathway|FAS pathway|FASLG pathway|Gen=Others|Gen=Opioid Receptor|Org=Hepatitis B virus|Histone acetyltransferase GCN5 - Homo sapiens |Org= Plasmodium falciparum|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus |Org= Hepatitis B virus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioma|Chronic Myelogenous Leukemia|Esophageal and Esophagogastric Junction Cancers|Esophageal squamous cell carcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
165549 |
6882-68-4 |
C1CC2C3CCCN4C3C(CCC4)CN2C(=O)C1 |
|
248.36000 |
C15H24N2O |
1.417 |
1 |
0 |
23.60 |
0.0 |
18 |
4 |
Sophoridine, a natural product obtained from medicinal plants, has a variety of pharmacological effects, including anti-cancer and anti-arrhythmia, and affects the immune and central nervous systems. |
5-Epidihydrosophocarpine, Dihydro-5-episophocarpine |
| Bergapten |
drug repurposing |
Aegle marmelos|Heracleum lanatum| |
Gen=DNA/RNA Synthesis |
Dis=Chronic Myelogenous Leukemia|Chronic Myelogenous Leukemia|Melanoma|Murine Melanoma|Gen=DNA Damage |
3D viewer |
Pubchem |
|
2355 |
484-20-8 |
COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 |
BGEBZHIAGXMEMV-UHFFFAOYSA-N |
216.19000 |
C12H8O4 |
2.187 |
4 |
0 |
48.70 |
1.0 |
16 |
|
Bergapten is a psoralen that can be photoactivated and is capable of crossing-linking DNA, covalently modifying proteins and lipids, and consequently inhibiting cell replication. |
N/A |
| Artemisinin |
drug repurposing |
Artemisia annua| |
Path=MMP2 pathway|CDK2 pathway|CDK4 pathway|RB1 pathway|SP1 pathway|Gen=Anti-infection|Org=Plasmodium falciparum 3D7 | Plasmodium falciparum | Plasmodium berghei | Plasmodium falciparum (isolate K1 / Thailand) | Plasmodium falciparum D6|Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | TAR DNA-binding protein 43 - Homo sapiens | Nonstructural protein 1 - Influenza A virus | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis |Org= Plasmodium falciparum|Histidine-rich protein - Plasmodium falciparum | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Cytochrome P450 2B6 - Homo sapiens | Geminin - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Cytochrome P450 1A2 - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Cholinesterase - Equus caballus | Ferritin light chain - Equus caballus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens |Org= Plasmodium berghei | Plasmodium falciparum 3D7 | Ipomoea grandifolia | Toxoplasma gondii | Plasmodium falciparum (isolate FcB1 / Columbia) | Leishmania donovani | Trypanosoma cruzi | Epilachna | Issatchenkia orientalis | Plasmodium yoelii nigeriensis | Candida albicans | Trypanosoma brucei rhodesiense | Gallus gallus | Filobasidiella neoformans | Urochloa decumbens | Plasmodium vinckei petteri | Balamuthia mandrillaris | Hepatitis B virus | Giardia intestinalis | Plasmodium falciparum NF54 | Fusarium oxysporum|Androgen Receptor - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Huntingtin - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Melanoma|malignant melanoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=Microbiology |
3D viewer |
Pubchem |
|
68827 |
63968-64-9 |
CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)C |
BLUAFEHZUWYNDE-UHFFFAOYSA-N |
282.33000 |
C15H22O5 |
1.998 |
5 |
0 |
54.00 |
0.0 |
20 |
3 |
Artemisinin is a sesquiterpene endoperoxide which is a potent antimalarial agent. |
Qinghaosu,Artemisinine |
| Cardamonin |
anticancer |
Polygonum limbatum|Amomum subulatum|Boesenbergia pandurata|Matsucoccus josephi|Podocarpus macrophyllus|Lactarius mitissimus|Alpinia speciosa|Bethencourtia palmensis|Lemonia spectabilis|Alpinia katsumadai hayat|Alpinia katsumadai|Esox lucius|Kaempferia pandurata|Etlingera elatior|Salix rosmarinifolia|Mentzelia decapetala|Petunia axillaris subsp. parodii|Xylopia emarginata|Salvia patens|Sphaeria rousseliana|Pulsatilla chinensis|Parmotrema nilgherrense|Lepechinia urbanii|Nepytia freemani|Helleborus macranthus|Erythrina hypaphorus|Centaurea scoparia|Mucuna holtonii|Drymaria cordata|Aniba santalodora|Cynoglossum macrostylum|Euphorbia hylonoma|Quercus marilandica|Lonchocarpus chiricanus|Dialium excelsum|Salvia virgata|Hardenbergia violacea|Boswellia ovalifoliolata|Etmopterus spinax|Iris kashmiriana|Maclura cochinchinensis|Rubia akane|Dysidea fragilis|Pterocaulon serrulatum|Thalassiosira weissflogii|Podocarpus dacrydioides|Beilschmiedia madang|Campanula choziatowskyi|Salvia lavanduloides|Colchicum filifolium|Orgyia pseudotsugata|Matricaria sabulosa|Astragalus circassicus|Preussia terricola|Amorphophallus konjac|Centaurea sonchifolia|Senecio platyphylloides|Mimosa pigra|Heliotropium scabrum|Gaillardia coahuilensis |
Path=BCL2 pathway|TNFRSF10C pathway|XIAP pathway|TNFRSF10A pathway|TNFRSF10B pathway|TNFSF10 pathway|Gen=Calcium Channel|Gen=NF-?B,Calcium Channel|Neuropeptide S receptor - Homo sapiens | DNA polymerase iota - Homo sapiens | Geminin - Homo sapiens | Ataxin-2 - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Microtubule-associated protein tau - Homo sapiens | Protease - Human immunodeficiency virus 1 | Dengue virus type 2 NS3 protein - Dengue virus type 2 (strain Thailand/16681/1984) (DENV-2) | Lysine-specific demethylase 4A - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | Voltage-gated potassium channel subunit Kv1.3 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus |Org= Plasmodium falciparum |
Dis=Acute Myeloid Leukemia|Acute Monocytic Leukemia |Colorectal Cancer|Colorectal Adenocarcinoma|Gen=Transmembrane Transporters |
3D viewer |
Pubchem |
|
641785 |
18956-16-6 |
COC1=CC(=CC(=C1C(=O)C=CC2=CC=CC=C2)O)O |
|
270.28000 |
C16H14O4 |
3.201 |
2 |
2 |
66.80 |
4.0 |
20 |
2 |
Cardamonin, isolated from the fruits of Alpinia species, is a chalconoid with anti-inflammatory and anti-tumor activity. It has been shown to be a novel antagonist of hTRPA1 cation channel with IC50 of 454 nM while does not interact with TRPV1 nor TRPV4 channel. |
Alpinetin chalcone |
| Eupatilin |
drug repurposing |
Aemisia princeps|Streptomyces althioticus|Aceriphyllum rossii|Lactarius scrobiculatus|Eupatorium semiserratum|Salvia officinalis|Vitex madiensis|Chrysanthemum indicum|Bassia butyracea|Citrus reticulata|Anaxagorea clavata|Helianthus mollis|Glaucium vitellinum|Artemisia rubripes|Taxodium mucronatum|Arnica nevadensis|Citrus reticulate|Rhizobium phaseoli|Quercus aegilops|Senecio squalidus|Aria pallescens|Pteris prolifera|Chloranthus tianmushanensis|Ficus formosana|Folium artemisiae argyi|Bellis perennis|Kaempferia pulchra|Chrysanthemi flos|Pandanus amaryllifolius|Bursaria spinosa|Schizonepetae spica|Chromolaena odorata|Pyrosoma giganteum|Artemisia argyi|Odixia angusta|Cladonia evansii|Thymus godayanus|Teucrium lancifolium|Stenostomum lucidum|Artemisia montana|Coccus fagi|Pseudopterogorgia kallos|Artemisia princeps|Wallemia sebi|Stachys glutinosa|Pterocarpus grandiflorus|Prosopis glandulosa|Chrysanthemum x morifolium|Werneria nubigena|Drosera peltata|Artemisia monogyna|Dioscorea japonica|Ilex affinis|Hypericum henryi|Securidaca inappendiculata|Dipterocarpus alatus|Chromolaena pulchella|Fusarium gibbosum|Beyeria brevifolia|Echinops amplexicaulis|Artemisia anomala|Gardenia fosbergii|Othonna coronopifolia|Alligator mississippiensis|Isodon kameba|Sium lineare|Dendrosenecio kilimanjari|Araujia sericifera|Seriphidium cinum|Taxus chienii|Clonostachys rosea|Epaltes gariepina|Pheidole pallidula|Eupatorium japonicum|Agnorhiza bolanderi|Salvia mellifera|Simira eliezeriana|Actinopyga lecanora|Polysiphonia urceolata|Prunus laurocerasus|Sesbania punicea |
Path=CASP3 pathway|CASP7 pathway|CASP9 pathway|CYCS pathway|CCND1 pathway|CDKN1A pathway|JUN pathway|JUND pathway|MAPK14 pathway|TFF1 pathway|Gen=Others|Cannabinoid CB1 receptor - Homo sapiens | Cannabinoid CB2 receptor - Homo sapiens | Delta opioid receptor - Mus musculus | Delta opioid receptor - Homo sapiens | Mu opioid receptor - Homo sapiens | Mu opioid receptor - Mus musculus | Kappa opioid receptor - Homo sapiens |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|mammary gland fibrocystic disease |Gastrointestinal Cancer|Gastric carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
5273755 |
22368-21-4 |
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O)OC)O)OC |
DRRWBCNQOKKKOL-UHFFFAOYSA-N |
344.32000 |
C18H16O7 |
2.603 |
5 |
2 |
94.40 |
4.0 |
25 |
3 |
Eupatilin, a major flavonoid from Artemisia plants, possesses various beneficial biological effects including anti-inflammation, anti-tumor, anti-cancer, anti-allergy, and anti-oxidation activity. |
NSC 122413 |
| Caffeic Acid |
drug repurposing |
Plantago major|Hedeoma drummondii|Inonotus obliquus|Euonymus alatus |Punica granatum| |
Path=NFKB6 pathway|MMP2 pathway|MMP9 pathway|NFKB1 pathway|Gen=Others |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|Gen=Others |
3D viewer |
Pubchem |
1XV5 6C7Q 6BJ6 6BJ7 |
689043 |
331-39-5 |
C1=CC(=C(C=C1C=CC(=O)O)O)O |
GCTFYNLEUZVUTG-UHFFFAOYSA-M |
180.16000 |
C9H8O4 |
1.443 |
1 |
2 |
77.80 |
2.0 |
13 |
|
Caffeic acid is a hydroxycinnamic acid, a naturally occurring organic compound. |
N/A |
| Mercaptopurine (6-MP) |
drug repurposing |
Origanum dictamnus|allium porrum|Entada africana|Lantana fucata |
Gen=DNA/RNA Synthesis|Cellular tumor antigen p53 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Transcriptional regulator ERG - Homo sapiens | Androgen Receptor - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | Cyclooxygenase-1 - Homo sapiens | Solute carrier family 22 member 8 - Rattus norvegicus | Lysine-specific demethylase 4D-like - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Survival motor neuron protein - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Lysine-specific demethylase 4A - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Purine nucleoside phosphorylase - Mycobacterium tuberculosis |Org= Mycobacterium avium subsp. paratuberculosis | Plasmodium falciparum | Escherichia coli | Leishmania amazonensis | Bacillus anthracis | Mycobacterium avium |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Non-small Cell Lung Cancer|Bronchioalveolar Carcinoma|Gen=DNA Damage |
3D viewer |
Pubchem |
3BGD 3NS1 |
667490 |
50-44-2 |
C1=NC2=C(N1)C(=S)N=CN2 |
GLVAUDGFNGKCSF-UHFFFAOYSA-N |
152.18000 |
C5H4N4S |
0.367 |
2 |
2 |
85.20 |
0.0 |
10 |
2 |
Mercaptopurine is a widely used antileukemic agent and immunosuppressive drug that inhibits de novo purine synthesis through incorporation of thiopurine methyltransferase metabolites into DNA and RNA. |
N/A |
| p-Coumaric Acid |
anticancer |
Plantago major|Rhodiola sachalinensis|Ranunculus ternatus|Aristolochia debilis|Cremastra appendiculata|Lycium barbarum|Rhododendron dauricum|Carthamus tinctorius|Eucommia ulmoides|Imperata cylindrica|Citrus reticulata|Toxicodendron vernicifluum|Centella asiatica|Ginkgo biloba|Fagopyrum dibotrys|Rosa chinensis|Chelidonium majus|Hippophae rhamnoides|Taraxacum mongolicum|Rosa rugosa|Cirsium japonicum|Inula britannica|Boehmeria nivea|Rubus chingii|Citrus aurantium|Inula japonica|Juglans regia|Notopterygium incisum|Rubus coreanus|Lilium brownii|Polygonum orientale|Rumex chalepensis|Citrus unshiu|Lilium lancifolium|Phragmites communis|Rumex japonicus|Commelina communis|Lilium pumilum|Oryza sativa|Schisandra chinensis|Cornus officinalis|Linum usitatissimum|Arum ternatum thunb|Scrophularia buergeriana|Lonicera japonica|Lycii fructus|Scrophularia ningpoensis|Luffa aegyptiaca|Selaginella doederleinii hieron|Scutellaria barbata|Hedysarum multijugum maxim|Senecio scandens|Lycium chinense|Notopterygii rhizoma et radix|Solanum nigrum|Melia azedarach|Rhizoma fagopyri cymosi|Sparganium stoloniferum|Melia azedarach var. toosendan|Broussonetiae fructus|Styrax benzoin|Morus alba|Curcumae radix|Styrax tonkinensis|Morus bombycis|Eucommiae cortex|Nardostachys jatamansi|Persicae semen|Nelumbo nucifera|Taraxacum borealisinense|Flos genkwa|Oldenlandia diffusa|Taraxacum coreanum|Eleutherococcus senticosus|Ipomoea nil|Aconitum carmichaelii|Ipomoea purpurea|Taraxacum officinale|Aconitum japonicum|dracocephalum ruyschiana|Pleione bulbocodioides|Taraxacum platycarpum|Albizia julibrissin|Epimedium sagittatum|Pleione yunnanensis|Thymus quinquecostatus|Allium sativum|Coix lacryma-jobi|Polygonum cuspidatum|Thymus vulgaris|Aloe africana|Vigna angularis|Aloe vera|Rhodiola rosea|Fallopia multiflora|Vigna umbellata|Aloe ferox|Persicaria orientalis|Vigna umbeuata|Aloe spicata|Prunella vulgaris|Portulaca oleracea|Ziziphus jujuba|Alcea rosea|Aristolochia contorta|Phyllostachys nigra|Punica granatum |
Gen=Anti-infection |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Melanoma|Murine Melanoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Gen=Microbiology |
3D viewer |
Pubchem |
KQ2 4E1U 1Y6S 1IHH |
637542 |
501-98-4 |
C1=CC(=CC=C1C=CC(=O)O)O |
|
164.16000 |
C9H8O3 |
1.685 |
1 |
1 |
57.50 |
2.0 |
12 |
1 |
p-Coumaric acid is a hydroxy derivative of cinnamic acid found in a variety of edible plants and is reported to have antioxidant, anti-inflammatory, and antimicrobial activity. |
4-Hydroxycinnamic acid, P-Hydroxycinnamic acid, 4-Coumaric acid, Trans-p-Coumaric acid, para-Coumaric Acid |
| Indole-3-carbinol |
drug repurposing |
Brassica spp|Leptosphaeria maculans|Haliclona oculata |
Path=BCL2 pathway|BCL2A1 pathway|BIRC2 pathway|BIRC3 pathway|BIRC5 pathway|CCND1 pathway|CFLAR pathway|MMP9 pathway|NFKB1 pathway|NFKBIA pathway|PTGS2 pathway|TRAF1 pathway|XIAP pathway|CDC25A pathway|CDK4 pathway|CDK6 pathway|CDKN1A pathway|ESR1 pathway|GATA3 pathway|RB1 pathway|N/A|CXCR4 pathway|CDKN1B pathway|AHR pathway|IFNGR1 pathway|CDK2 pathway|STAT1 pathway|BAX pathway|CCND2 pathway|JUND pathway|RELA pathway|CASP3 pathway|CASP8 pathway|CASP9 pathway|PARP1 pathway|BAK1 pathway|PSA pathway|AR pathway|BAD pathway|BCL2L1 pathway|EGFR pathway|AKT1 pathway|PI3CA parhway|CDKN2A pathway|TP53 pathway|Gen=NF-?B|Gen=NF-?B|Acetylcholinesterase - Electrophorus electricus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Androgen Receptor - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 - Homo sapiens | Anthrax lethal factor - Bacillus anthracis | Geminin - Homo sapiens | Aryl sulfotransferase - Rattus norvegicus | Heat shock protein beta-1 - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | Nuclear factor NF-kappa-B p105 subunit - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | Interleukin-8 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Cholinesterase - Equus caballus | Nuclear receptor ROR-gamma - Homo sapiens |Org= Plasmodium falciparum | Leptosphaeria maculans |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Breast Cancer|Ductal Adenocarcinoma|Chronic Myelogenous Leukemia|Head and Neck Cancers|Oral Squamous Cell Carcinoma|Multiple Myeloma|Multiple Myeloma |Non-Hodgkin's Lymphomas|Adult T-cell leukemia/lymphoma|Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=NF-?B |
3D viewer |
Pubchem |
|
3712 |
700-06-1 |
C1=CC=C2C(=C1)C(=CN2)CO |
IVYPNXXAYMYVSP-UHFFFAOYSA-N |
147.18000 |
C9H9NO |
1.518 |
0 |
2 |
36.00 |
1.0 |
11 |
2 |
Indole-3-carbinol is produced by the breakdown of the glucosinolate glucobrassicin, which can be found at relatively high levels in cruciferous vegetables. Indole-3-carbinol suppresses NF-?B and I?B? kinase activation. |
N/A |
| Apigenin |
drug repurposing |
Dracocephalum kotschyi|Centaurea arenaria|Ficus formosana|Hypericum perforatum|Marticaria chamomilla| |
Path=CYP1A1 pathway|CYP1B1 pathway|Gen=P450 (e.g. CYP17) |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Fibrosarcoma|Murine Fibrosarcoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Hepatoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Non-Melanoma Skin Cancers|human fetal foreskin fibroblast|Prostate Cancer|prostate Carcinoma|Prostate Adenocarcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Gen=Metabolism |
3D viewer |
Pubchem |
5AUV 5I2H 4HKK 4DER |
5280443 |
520-36-5 |
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
KZNIFHPLKGYRTM-UHFFFAOYSA-N |
270.24000 |
C15H10O5 |
2.41 |
2 |
3 |
87.00 |
1.0 |
20 |
|
Apigenin is a potent P450 inhibitor for CYP2C9 with Ki of 2 ?M. |
NSC 83244, LY 080400 |
| Gallic acid |
drug repurposing |
Terminalia arjuna|Punica granatum|Diospyros lotus|Phyllanthus emblica|Rhynchosia volubilis|Caesalpinia ferrea| |
Path=CASP3 pathway|BCL2 pathway|BAX pathway|Gen=ROS |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Kidney Cancer|kidney cancer|Renal Cell Adenocarcinoma|Melanoma|malignant melanoma|Murine Melanoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Non-small Cell Lung Cancer|large cell carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
4Z5X 4IC0 3WKU 3WPM |
370 |
149-91-7 |
C1=C(C=C(C(=C1O)O)O)C(=O)O |
LNTHITQWFMADLM-UHFFFAOYSA-N |
170.12000 |
C7H6O5 |
0.733 |
1 |
3 |
98.00 |
1.0 |
12 |
|
Gallic acid, known as powerful antioxidants, is an organic acid found in a variety of foods and herbs. |
3,4,5-Trihydroxybenzoic acid, Gallate, Benzoic acid |
| Resveratrol |
drug repurposing |
Vitis vinifera|Polygonum cuspidatum|Veratrum grandiflorum|Eucalyptus wandoo|Sinularia depressa|Daemonorops draco|Semen phaseoli|Picea glehnii|Rumex maritimus|Dryopteris crassirhizoma|Pleuropterus ciliinervis|Veratrum nigrum var. ussuriense|Gnetum latifolium|Hedysarum connatum|Humulus lupulus|Pseudoalteromonas luteoviolacea|Cassia dentata|Trifolium dubium|Sphaerella laricina|Hypericum laricifolium|Morus alba|Testa arachidis hypogaeae|Artemisia assoana|Adansonia grandidieri|Oroxylum indicum|Caragana tibetica|Aconitum seravschanicum|Dumortiera hirsuta|Ampelopsis glandulosa var. brevipedunculata|Rheum wittrocki|Senecio subdentatus|Streptomyces avermitilis|Fallopia multiflora|Arachis hypogaea|Drechslera avenae|Swertia franchetiana|Bassia muricata|Rheum coreanum|Cudrania javanensis|Sabina sargentii|Adiantum lunulatum|Rheum officinale|Nasutitermes ephratae|Bishovia boliviensis|Rheum palmatum|Vitis spp.|Acacia adunca|Chaenomeles sinensis|Rheum tanguticum|Veratrum album|Vatica rassak|Onobrychis arenaria|Caragana aurantiaca|Rubia cordifolia|Annona cornifolia|Eucalyptus melliodora|Smilax china|Broussonetia papyrifera|Vitis spp|Peltostigma guatemalense|Marrubium anisodon|Lavandula vera|Smilax glabra|Rauvolfia vomitoria|Biancaea decapetala|Ampelopsis brevipedunculata|Wikstroemia retusa|Cotyledon secunda|Vigna angularis|Enceliopsis argophylla|Caesalpinia decapetala|Pastinaca sativa|Calostephane divaricata|Vigna umbellata|Anacystis montana|Polygonum multiflorum|Naucleopsis ternstroemiiflora|Salvia syriaca|Vigna umbeuata|Laurencia spectabilis|Dictyopteris australis|Cytophaga hutchinsoni|Asterospicularia laurae|Scutellaria amoena|Eria mollis|Solanum laxum|Artocarpus dadah|Lepisorus ussuriensis|Amathia pinnata|Gnetum parvifolium|Alstonia spathulata|Gadus morhua callarias|Miliusa velutina|Phoebe pittieri|Aphyllocladus denticulatus|Eriocheir sinensis|Epichloe festucae var. lolii|Blastochloris viridis|Astragalus sempervirens|Dendriopoterium menendezii|Physalis alkekengi|Psychotria stachyoides|Olibanun|Premna odorata|Goniothalamus malayanus|Rivularia firma|Boehmeriae rhizoma et radix|Pinus sibirica|Justicia secunda|Aster sedifolius|Leathesia nana|Polygoni cuspidati rhizoma et radix|Ipomoea digitata|Neobalanocarpus heimii|Isaria fumosorosea|Zanthoxylum tetraspermum|Ampelopsis japonica|Aconitum tasiromontanum|Viguiera incana|Dodonaea viscosa|Smilax menispermoidea|Flacourtia jangomas|Dysoxylum cumingianum|Belamcandae rhizome|Radix cudraniae|Teucrium yemense|Helipterum roseum|Mori fructus|Lysimachia mauritiana|Rattus rattus|Iris domestica|Caulocystis cephalornithos|Vaccinium oxycoccos|Bulla striata| |
Gen=Autophagy|NAD(P)H dehydrogenase [quinone] 1 - Mus musculus | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Survival motor neuron protein - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Cytochrome P450 1A2 - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Cytochrome P450 2C19 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Pyruvate kinase - Leishmania mexicana | Lysine-specific demethylase 4D-like - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Prelamin-A/C - Homo sapiens | Cytochrome P450 19A1 - Homo sapiens | Monoamine oxidase B - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Histone acetyltransferase GCN5 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens |Org= Plasmodium falciparum|Carbonic anhydrase II - Homo sapiens | Carbonic anhydrase XIV - Homo sapiens | Carbonic anhydrase I - Homo sapiens | Carbonic anhydrase 15 - Mus musculus | Carbonic anhydrase VA - Homo sapiens | Carbonic anhydrase VB - Homo sapiens | Carbonic anhydrase IV - Homo sapiens | Carbonic anhydrase III - Homo sapiens | Carbonic anhydrase XII - Homo sapiens | Carbonic anhydrase XIII - Homo sapiens | Carbonic anhydrase VI - Homo sapiens | Carbonic anhydrase VII - Homo sapiens | Carbonic anhydrase IX - Homo sapiens| Chromobox protein homolog 1 - Homo sapiens | NAD-dependent deacetylase sirtuin 1 - Homo sapiens | Prenyltransferase homolog - Streptomyces coelicolor A3 | Estrogen receptor beta - Homo sapiens | Beta amyloid A4 protein - Homo sapiens | P-glycoprotein 1 - Homo sapiens | Protein-tyrosine phosphatase 1B - Homo sapiens | Cyclooxygenase-1 - Homo sapiens | Tyrosine-protein kinase LCK - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | 78 kDa glucose-regulated protein - Homo sapiens | Cyclooxygenase-1 - Ovis aries | Tyrosinase - Agaricus bisporus | Cyclooxygenase-2 - Homo sapiens | Transient receptor potential cation channel subfamily A member 1 - Rattus norvegicus | Androgen Receptor - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Regulator of G-protein signaling 4 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | M-phase phosphoprotein 8 - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Zinc finger protein mex-5 - Caenorhabditis elegans | Aryl hydrocarbon receptor - Oryctolagus cuniculus | Monoamine oxidase A - Homo sapiens | Niemann-Pick C1 protein - Homo sapiens | Serine/threonine-protein kinase mTOR - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Ornithine decarboxylase - Homo sapiens | Apoptosis regulator Bcl-X - Homo sapiens | Alpha-1d adrenergic receptor - Rattus norvegicus | Arachidonate 15-lipoxygenase, type II - Homo sapiens | Leukotriene A4 hydrolase - Homo sapiens | N1L - Vaccinia virus | Huntingtin - Homo sapiens | M18 aspartyl aminopeptidase - Plasmodium falciparum 3D7 | Norepinephrine transporter - Homo sapiens | Nitric oxide synthase, inducible - Mus musculus | Nuclear receptor ROR-gamma - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Large T antigen - Simian virus 40 | Carbonic anhydrase II - Homo sapiens | Bcr/Abl fusion protein - Homo sapiens | Tyrosinase - Mus musculus | Ras-related protein Rab-9A - Homo sapiens | NAD-dependent deacetylase sirtuin 2 - Homo sapiens | Cytochrome P450 1A1 - Homo sapiens | Cyclooxygenase-2 - Ovis aries | Sucrase-isomaltase - Rattus norvegicus | Tyrosinase - Homo sapiens | Cholinesterase - Equus caballus | Acidic alpha-glucosidase - Rattus norvegicus | Cerebroside-sulfatase - Homo sapiens | Lysosomal alpha-glucosidase - Homo sapiens | FAD-linked sulfhydryl oxidase ALR - Homo sapiens | Peripheral myelin protein 22 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | Quinone reductase 2 - Homo sapiens | Bloom syndrome protein - Homo sapiens | Cytochrome P450 1B1 - Homo sapiens | Protein kinase C alpha - Homo sapiens | Cathepsin L - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | Canalicular multispecific organic anion transporter 1 - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Carbonic anhydrase IX - Homo sapiens | 6-phospho-1-fructokinase - Trypanosoma brucei |Org= Filobasidiella neoformans | Pseudomonas aeruginosa PAO1 | Streptococcus mutans | Plasmodium falciparum | Candida albicans SC5314 | Helicobacter pylori | Neofusicoccum luteum | Human immunodeficiency virus 1 | Chromobacterium violaceum | Neisseria gonorrhoeae | Candida albicans | Streptococcus sanguinis | Staphylococcus aureus | Tetrahymena thermophila | Saccharomyces cerevisiae | Agrobacterium tumefaciens | Pseudomonas aeruginosa | Leishmania donovani |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Non-Melanoma Skin Cancers|Fibroblast|Non-small Cell Lung Cancer|Lewis Lung carcinoma |Gen=Autophagy |
3D viewer |
Pubchem |
4JAZ 1DVS 4QOH 4QOJ |
445154 |
501-36-0 |
C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O |
LUKBXSAWLPMMSZ-UHFFFAOYSA-N |
228.24000 |
C14H12O3 |
3.09 |
0 |
3 |
60.70 |
2.0 |
17 |
2 |
Resveratrol has a wide spectrum of targets including cyclooxygenases(i.e. COX, IC50=1.1 ?M), lipooxygenases?LOX, IC50=2.7 ?M?, kinases, sirtuins and other proteins. It has anti-cancer, anti-inflammatory, blood-sugar-lowering and other beneficial cardiovascular effects. |
N/A |
| Betulinic acid |
anticancer |
Betula platyphylla|Dillenia indica|Prunus dulcis|Ulmus davidiana|Zizyphus cambodiana|Narcissus tazetta|Narcissus cantabricus|Anomala cuprea|Bidens frondosa|Solanum tuberosum|Ascochyta cypericola|Zanthoxylum zanthoxyloides|Halorosellinia oceanica|Helichrysum candolleanum|Daedalea dickinsii|Primnoa resedaeformis|Schefflera heptaphylla|Carya alba|Primula veris|Ilex latifolia|Quararibea funebris|Diphylleia grayi|Conringia orientalis|Hedysarum alpinum|Sparganii rhizoma|Halictus sexcinctus|Lycopi herba|Myristica dactyloides|Mentha javanica|Coussarea paniculata|Maytenus cuzcoina|Maytenus chiapensis|junellia tridens|Microtropis fokienensis|perrottetia arisanensis|Parmelia taylori|Orontium japonicum|Balanocarpus zeylanicus|Clematis rehderiana|Diospyros dendo |
Path=BCL2 pathway|CCND1 pathway|BAX pathway|GLI1 pathway|Gen=Topoisomerase|Org=Mycobacterium tuberculosis |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioma|Medulloblastoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Multiple Myeloma|Plasmacytoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Thyroid Cancer|Follicular carcinoma|Gen=DNA Damage |
3D viewer |
Pubchem |
5LSG |
64971 |
472-15-1 |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O |
QGJZLNKBHJESQX-UHFFFAOYSA-N |
456.70000 |
C30H48O3 |
6.546 |
1 |
1 |
57.50 |
2.0 |
33 |
5 |
Betulinic acid, a pentacyclic triterpenoid from Syzigium claviflorum, is a inhibitor of HIV-1 with EC50 of 1.4 &mu M. Phase 1/2. |
ALS-357 |
| Adenosine |
drug repurposing |
Isatis indigotica|Streptomyces herbaceus am-3279|Boschniakia rossica| |
Gen=Adenosine Receptor|Gen=DNA/RNA Synthesis|Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Geminin - Homo sapiens | Adenosylhomocysteinase - Mus musculus | Hepatitis C virus NS5B RNA-dependent RNA polymerase - Hepatitis C virus | Dipeptidyl peptidase IV - Homo sapiens | Adenylate cyclase type V - Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens |Org= Human herpesvirus 1 | Human herpesvirus 2 | Moloney murine leukemia virus | Human herpesvirus 3 | Vaccinia virus | Trichomonas vaginalis | Cowpox virus | Human herpesvirus 1 strain KOS | Vaccinia virus Copenhagen | Macacine herpesvirus 1 | African swine fever virus | unidentified influenza virus | Human herpesvirus 5|Org=Oryctolagus cuniculus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Gen=GPCR & G Protein |
3D viewer |
Pubchem |
4LCA 4LC4 3KW2 3UAY |
60961 |
58-61-7 |
C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O |
OIRDTQYFTABQOQ-UHFFFAOYSA-N |
267.24000 |
C10H13N5O4 |
-1.881 |
4 |
4 |
140.00 |
2.0 |
19 |
3 |
Adenosine is a nucleoside composed of a molecule of adenine attached to a ribose sugar molecule (ribofuranose) moiety via a ?-N9-glycosidic bond. |
N/A |
| Vidarabine |
drug repurposing |
Isatis indigotica|Streptomyces herbaceus am-3279|Boschniakia rossica| |
Gen=DNA/RNA Synthesis|Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Geminin - Homo sapiens | Adenosylhomocysteinase - Mus musculus | Hepatitis C virus NS5B RNA-dependent RNA polymerase - Hepatitis C virus | Dipeptidyl peptidase IV - Homo sapiens | Adenylate cyclase type V - Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens |Org= Human herpesvirus 1 | Human herpesvirus 2 | Moloney murine leukemia virus | Human herpesvirus 3 | Vaccinia virus | Trichomonas vaginalis | Cowpox virus | Human herpesvirus 1 strain KOS | Vaccinia virus Copenhagen | Macacine herpesvirus 1 | African swine fever virus | unidentified influenza virus | Human herpesvirus 5|Org=Oryctolagus cuniculus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Gen=DNA Damage |
3D viewer |
Pubchem |
4JV0 4YR2 5KFD 4KLS |
21704 |
5536-17-4 |
C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O |
OIRDTQYFTABQOQ-UHFFFAOYSA-N |
267.24000 |
C10H13N5O4 |
-1.881 |
4 |
4 |
140.00 |
2.0 |
19 |
3 |
Vidarabine is an antiviral drug by interfering with the synthesis of viral DNA, used to treat herpes simplex and varicella zoster viruses. |
N/A |
| Chlorogenic Acid |
drug repurposing |
Plantago major|Hedeoma drummondii|Euonymus alatus |Lonicera japonica|Flos lonicerae|Lonicera hypoglauca| |
Path=MMP9 pathway|MAPK14 pathway|MAPK8 pathway|Gen=Others|Lysine-specific demethylase 4D-like - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Gen=Others |
3D viewer |
Pubchem |
5GMU |
1794427 |
327-97-9 |
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
PDRYGDFJGDJWPN-UHFFFAOYSA-N |
354.31000 |
C16H18O9 |
-0.34 |
3 |
4 |
165.00 |
5.0 |
25 |
2 |
Chlorogenic acid is a hydroxycinnamic acid and a member of a family of naturally occurring organic compounds. |
NSC 407296, Heriguard |
| (-)Epicatechin |
drug repurposing |
Hamamelis virginiana|Salix hulteni|Diospyros kaki|Ulmus davidiana|Litchi chinensis|Theobroma cocoa|Polygonum cuspidatum|Centella asiatica|Rheum officinale|Polyporus ellisii|Uncariae ramulus cumuncis|Ampelopsis japonica|Chaenomeles sinensis|Rheum palmatum|Spirographis spallanzani|Herbahypericiperforati|Houttuynia cordata|Chaenomeles speciosa|Rheum tanguticum|Cissus quinquefolia|Areca catechu|Hippophae rhamnoides|Cinamomum cassia|Rosa laevigata|Dioscoreaebulbiferae|Eucommia ulmoides|Cinnamomum aromaticum|Sargentodoxa cuneata|Rabdosia rosthornii|Agrimonia pilosa|Crataegus pinnatifida|Smilax china|Streptomyces libani|Lysimachiae herba|Drynaria fortunei|Cynomorium songaricum|Smilax glabra|Laurencia snyderae|Rhizoma fagopyri cymosi|Rumex japonicus|Solanum nigrum|Celastri orbiculati fructus|Crataegi folium|Fagopyrum dibotrys|Spatholobus suberectus|Hordei fructus germinatus|Semen aesculi|Euphorbia hirta|Thymus quinquecostatus|Gleditsiae fructus|Apocyniveneti folium|Morus alba|Ginkgo biloba|Thymus vulgaris|Phaseoli semen|Scutellaria baicalensis|Gleditsia japonica|Uncaria gambir|Herba pyrolae|Uncaria sinensis|Gleditsia sinensis|Uncaria macrophylla|Folium nelumbinis|Poria cocos|Uncaria rhynchophylla|Hippophae fructus|Polygonum orientale|Humulus lupulus|Nelumbo nucifera|Hypericum perforatum|Vigna angularis|Vigna umbellata|Actinidia chinensis planch|Lilium brownii|Vigna umbeuata|Amomum tsao-ko|Dimocarpus longan|Lilium lancifolium|Vitex negundo|Eucommiae cortex|Portulaca oleracea|Zanthoxylum bungeanum|Rumex nepalensis|Zanthoxylum piperitum|Cinnamomi ramulus|Lilium pumilum|Perilla frutescens|Zanthoxylum schinifolium|Arecae semen|Paeonia lactiflora|Morus bombycis|Ixeris tamagawaensis|Zingiber officinale|Gleditsiae spina|Murraya exotica|Senecio dryophyllus|Ziziphus jujuba|Abutilon theophrasti|Murraya paniculata|Senecio sinuatus|Hymenopenaeus sibogae|Senegalia catechu|Orostachys fimbriata|Heliomeris multiflora|Casimiroa tetrameria|Inula graveolens|Aloe africana|Orostachys japonicus|Aster koraiensis|green tea|Aloe vera|Aloe ferox|Bactrocera cucumis|Collisella limatula|Aloe spicata|Fallopia multiflora|Solanum giganteum|Aglaia oligophylla|Ageratum houstonianum|Apocynum venetum|Prunus mume|Ligularia dentata|Aspergillus heterothallicus|Punica granatum|Colchicum speciosum|Boehmeria nivea|Rheum coreanum|Licania pittieri |
Path=MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|Gen=ROS|Neuraminidase - Influenza A virus | Fatty acid synthase - Homo sapiens | Cyclooxygenase-1 - Ovis aries | Beta-secretase 1 - Homo sapiens |Org= Meloidogyne incognita | Plasmodium falciparum |
Dis=Hepatobiliary Cancer|Hepatoma|Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Neuroblastoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
4MA6 6AX0 6AWV 6AWT |
72276 |
490-46-0 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
PFTAWBLQPZVEMU-AFYYWNPRSA-N |
290.27000 |
C15H14O6 |
2.021 |
1 |
5 |
110.00 |
1.0 |
21 |
3 |
(?)Epicatechin is a flavonoid present in cocoa, green tea and red wine. It is a strong antioxidant, has insulin mimic action and improves heart health. |
L-Epicatechin, (-)-Epicatechol |
| (+)-Catechin |
drug repurposing |
Hamamelis virginiana|Salix hulteni|Diospyros kaki|Ulmus davidiana|Litchi chinensis|Theobroma cocoa|Polygonum cuspidatum|Centella asiatica|Rheum officinale|Polyporus ellisii|Uncariae ramulus cumuncis|Ampelopsis japonica|Chaenomeles sinensis|Rheum palmatum|Spirographis spallanzani|Herbahypericiperforati|Houttuynia cordata|Chaenomeles speciosa|Rheum tanguticum|Cissus quinquefolia|Areca catechu|Hippophae rhamnoides|Cinamomum cassia|Rosa laevigata|Dioscoreaebulbiferae|Eucommia ulmoides|Cinnamomum aromaticum|Sargentodoxa cuneata|Rabdosia rosthornii|Agrimonia pilosa|Crataegus pinnatifida|Smilax china|Streptomyces libani|Lysimachiae herba|Drynaria fortunei|Cynomorium songaricum|Smilax glabra|Laurencia snyderae|Rhizoma fagopyri cymosi|Rumex japonicus|Solanum nigrum|Celastri orbiculati fructus|Crataegi folium|Fagopyrum dibotrys|Spatholobus suberectus|Hordei fructus germinatus|Semen aesculi|Euphorbia hirta|Thymus quinquecostatus|Gleditsiae fructus|Apocyniveneti folium|Morus alba|Ginkgo biloba|Thymus vulgaris|Phaseoli semen|Scutellaria baicalensis|Gleditsia japonica|Uncaria gambir|Herba pyrolae|Uncaria sinensis|Gleditsia sinensis|Uncaria macrophylla|Folium nelumbinis|Poria cocos|Uncaria rhynchophylla|Hippophae fructus|Polygonum orientale|Humulus lupulus|Nelumbo nucifera|Hypericum perforatum|Vigna angularis|Vigna umbellata|Actinidia chinensis planch|Lilium brownii|Vigna umbeuata|Amomum tsao-ko|Dimocarpus longan|Lilium lancifolium|Vitex negundo|Eucommiae cortex|Portulaca oleracea|Zanthoxylum bungeanum|Rumex nepalensis|Zanthoxylum piperitum|Cinnamomi ramulus|Lilium pumilum|Perilla frutescens|Zanthoxylum schinifolium|Arecae semen|Paeonia lactiflora|Morus bombycis|Ixeris tamagawaensis|Zingiber officinale|Gleditsiae spina|Murraya exotica|Senecio dryophyllus|Ziziphus jujuba|Abutilon theophrasti|Murraya paniculata|Senecio sinuatus|Hymenopenaeus sibogae|Senegalia catechu|Orostachys fimbriata|Heliomeris multiflora|Casimiroa tetrameria|Inula graveolens|Aloe africana|Orostachys japonicus|Aster koraiensis|green tea|Aloe vera|Aloe ferox|Bactrocera cucumis|Collisella limatula|Aloe spicata|Fallopia multiflora|Solanum giganteum|Aglaia oligophylla|Ageratum houstonianum|Apocynum venetum|Prunus mume|Ligularia dentata|Aspergillus heterothallicus|Punica granatum|Colchicum speciosum|Boehmeria nivea|Rheum coreanum|Licania pittieri |
Path=MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|Gen=ROS|Neuraminidase - Influenza A virus | Fatty acid synthase - Homo sapiens | Cyclooxygenase-1 - Ovis aries | Beta-secretase 1 - Homo sapiens |Org= Meloidogyne incognita | Plasmodium falciparum |
Dis=Hepatobiliary Cancer|Hepatoma|Non-small Cell Lung Cancer|Lung Lymph Node Carcinoma|Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Neuroblastoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
4C9I 4C94 3I52 |
9064 |
154-23-4 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
PFTAWBLQPZVEMU-DZGCQCFKSA-N |
290.27000 |
C15H14O6 |
2.021 |
1 |
5 |
110.00 |
1.0 |
21 |
3 |
Cianidanol is an antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms. |
Cianidanol, Catechinic acid, Catechuic acid |
| Cyclosporin A |
drug repurposing |
Mycale hentscheli |
Gen=Immunology & Inflammation related|immunosuppressant |
Dis=Acute Myeloid Leukemia|Acute Myeloid Leukemia|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
1MIK |
5284373 |
59865-13-3 |
CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C |
PMATZTZNYRCHOR-IMVLJIQESA-N |
1202.61000 |
C62H111N11O12 |
4.333 |
11 |
5 |
279.00 |
15.0 |
85 |
|
Cyclosporin A is an immunosuppressive agent, binds to the cyclophilin and then inhibits calcineurin with IC50 of 7 nM in a cell-free assay, widely used in organ transplantation to prevent rejection. |
Cyclosporine A |
| Betulinic acid |
drug repurposing |
Betula platyphylla|Dillenia indica|Prunus dulcis|Ulmus davidiana|Zizyphus cambodiana|Narcissus tazetta|Narcissus cantabricus|Anomala cuprea|Bidens frondosa|Solanum tuberosum|Ascochyta cypericola|Zanthoxylum zanthoxyloides|Halorosellinia oceanica|Helichrysum candolleanum|Daedalea dickinsii|Primnoa resedaeformis|Schefflera heptaphylla|Carya alba|Primula veris|Ilex latifolia|Quararibea funebris|Diphylleia grayi|Conringia orientalis|Hedysarum alpinum|Sparganii rhizoma|Halictus sexcinctus|Lycopi herba|Myristica dactyloides|Mentha javanica|Coussarea paniculata|Maytenus cuzcoina|Maytenus chiapensis|junellia tridens|Microtropis fokienensis|perrottetia arisanensis|Parmelia taylori|Orontium japonicum|Balanocarpus zeylanicus|Clematis rehderiana|Diospyros dendo |
Path=BCL2 pathway|CCND1 pathway|BAX pathway|GLI1 pathway|Gen=Topoisomerase|Org=Mycobacterium tuberculosis |
Dis=Acute Lymphoblastic Leukemia|Acute T cell leukemia |Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioma|Medulloblastoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Multiple Myeloma|Plasmacytoma|Non-Hodgkin's Lymphomas|Histiocytic Lymphoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Thyroid Cancer|Follicular carcinoma|Gen=DNA Damage |
3D viewer |
Pubchem |
5LSG |
64971 |
472-15-1 |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O |
QGJZLNKBHJESQX-UHFFFAOYSA-N |
456.70000 |
C30H48O3 |
6.546 |
1 |
1 |
57.50 |
2.0 |
33 |
5 |
Betulinic acid, a pentacyclic triterpenoid from Syzigium claviflorum, is a inhibitor of HIV-1 with EC50 of 1.4 &mu M. Phase 1/2. |
ALS-357 |
| Cordycepin |
drug repurposing |
Cordyceps sinensis|Cordyceps militaris|cordyceps militaris bcc 2816|Ophiocordyceps sinensis |
Path=MMP9 pathway|JUND pathway|NFKB1 pathway|TNF pathway|AKT1 pathway|MAPK1 pathway|MAPK14 pathway|MAPK3 pathway|MAPK8 pathway|NFKBIA pathway|Gen=Others|Mitochondrial import inner membrane translocase subunit TIM23 - Saccharomyces cerevisiae S288c | ATP-dependent molecular chaperone HSP82 - Candida albicans (strain WO-1) (Yeast) | Adenosine A1 receptor - Rattus norvegicus | Hepatitis C virus NS5B RNA-dependent RNA polymerase - Hepatitis C virus |Org= Human immunodeficiency virus 1 | Trypanosoma brucei | Trypanosoma brucei brucei | Vaccinia virus | Trypanosoma cruzi | Plasmodium falciparum (isolate K1 / Thailand) | Human herpesvirus 1 | Leishmania donovani | Hepatitis C virus | Trichomonas vaginalis |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Bladder Cancer|Bladder carcinoma|Transitional Cell Carcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Murine BV2 microglia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Melanoma|Murine Melanoma|Gen=Others |
3D viewer |
Pubchem |
5M5K 6F3P 3B4C 3B4B |
6303 |
73-03-0 |
C1C(OC(C1O)N2C=NC3=C2N=CN=C3N)CO |
QLEOCAHPCDUGFN-UHFFFAOYSA-N |
251.24000 |
C10H13N5O3 |
-1.308 |
4 |
3 |
119.00 |
2.0 |
18 |
3 |
Cordycepin is an adenosine analogue, which is readily phosphorylated to its mono-, di-, and triphosphate intracellularly. It has a very potent anti-cancer, anti-oxidant and anti-inflammatory activities. |
N/A |
| Paclitaxel |
drug repurposing |
Phyllosticta tabernaemontanae|Stephania japonica|Dioscorea collettii|Dioscorea futschauensis|Dioscorea nipponica|Dioscorea collettii var. hypoglauca|Cocculus trilobus|Dioscorea zingiberensis|Dioscorea althaeoides|Taxus brevifolia|Stephania hernandifolia|Dioscorea hypoglauca|Torreya grandis| |
Gen=Autophagy,Microtubule Associated|anticancer||Cholinesterase - Equus caballus | Tubulin alpha chain - Sus scrofa | Receptor protein-tyrosine kinase erbB-2 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | Nonstructural protein 1 - Influenza A virus | Cholecystokinin A receptor - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Cytochrome P450 3A4 - Homo sapiens | Cruzipain - Trypanosoma cruzi | Serine/threonine-protein kinase mTOR - Homo sapiens | Glucocorticoid receptor - Homo sapiens | Delta opioid receptor - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Androgen Receptor - Homo sapiens | Melanocortin receptor 5 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Geminin - Homo sapiens | Vitamin D receptor - Homo sapiens | Bloom syndrome protein - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Neurokinin 2 receptor - Homo sapiens | Multidrug resistance-associated protein 7 - Homo sapiens | Prelamin-A/C - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Tyrosine-protein kinase FYN - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | P-glycoprotein 1 - Homo sapiens | Bile salt export pump - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Ataxin-2 - Homo sapiens | Cytochrome P450 1A2 - Homo sapiens | Niemann-Pick C1 protein - Homo sapiens | Regulator of G-protein signaling 4 - Homo sapiens | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 2 - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Peripheral myelin protein 22 - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Botulinum neurotoxin type A - Clostridium botulinum | Alpha-synuclein - Homo sapiens | Solute carrier family 22 member 1 - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Ras-related protein Rab-9A - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens |Org= Oryctolagus cuniculus | Plasmodium falciparum | Artemia | Sus scrofa |
Dis=acute myeloid leukemia|human leukemia|Breast Cancer|Breast Carcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Gen=Cytoskeletal Signaling |
3D viewer |
Pubchem |
5HNW 5HNX 5HNZ 6B0C |
36314 |
33069-62-4 |
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C |
RCINICONZNJXQF-MZXODVADSA-N |
853.91000 |
C47H51NO14 |
3.055 |
11 |
3 |
221.00 |
14.0 |
62 |
7 |
Paclitaxel is a microtubule polymer stabilizer with IC50 of 0.1 pM in human endothelial cells. |
NSC 125973 |
| Scopoletin |
drug repurposing |
Artemisia argyi|Gelsemium sempervirens| |
Path=BIRC5 pathway|CCND1 pathway|PCNA pathway|STAT3 pathway|CASP3 pathway|TP53 pathway|Gen=Immunology & Inflammation related |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Melanoma|malignant melanoma|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
|
5280460 |
92-61-5 |
COC1=C(C=C2C(=C1)C=CC(=O)O2)O |
RXXROUJXJUCLTH-UHFFFAOYSA-N |
192.17000 |
C10H8O4 |
1.641 |
3 |
1 |
55.80 |
1.0 |
14 |
|
Scopoletin is the main bioactive constituent of flower buds from Magnolia fargesii with anti-inflammatory, hypouricemic, and antioxidant activities. |
Esculetin 6-methyl ether, Gelseminic acid, 6-Methylesculetin, Chrysatropic acid |
| Ursolic Acid |
drug repurposing |
Origanum dictamnus|Plantago asiatica|Crataegus pinnatifida|Scrophularia ningpoensis|Prunus dulcis|Vaccinium macrocarpon|Rosmarinus officinalis|Ficus microcarpa|Aralia decaisneana|Eriobotrya japonica|Pygeum africanum|calceolaria pinifolia|Piper aequale|Isodon loxothyrsus|Viscum coloratum|Diospyros tricolor|Acrocomia sclerocarpa|Eriostemon deserti|Streptomyces roseoviolaceus|Brugmansia arborea|Abrus pulchellus subsp. cantoniensis|Senecio scandens|Alkanna hirsutissima|Ruta oreojasme|Monascus purpureus|Rhododendron barbatum|Clutia richardiana|Drypetes roxburghii|Melaleuca uncinata|Shigella flexneri|Avrainvillea nigricans|Mentha pulegiformis|Calea megacephala|Halopitys incurvus|Lecanora lividocinerea|Abies nobilis|Cordyline indivisa|Vinca major|Grindelia nana|Formica fusca|Picris radicata|Vitex trifolia|Bambusa chungii|Polyphaga sinensis|Rodgersia podophylla|Drymonia macrophylla|Schisandra lancifolia|Cremastra appendiculata|Hakea saligna|Gynura elliptica|Amsinckia menziesii|Jasminum grandiflorum|Urtica fissa|Psittacanthus cucullaris|Buddleja variabilis|Pinus picea|Didemnum inarmatum|Disepalum plagioneurum|Dipodium punctatum|Ostrinia nubilalis|Aromadendron elegans|Delphinium campylocentrum|Haloxylon salicornicum|Glenodinium halli|Relbunium atherodes|Gentiana pyrenaica|Bursatella leachi|Pycnocoma cornuta|Vallaris solanacea|Lesquerella auriculata|Laurencia caraibica|Osmundaria colensoi|Dacrydium biforme|Primula hirsuta|Leucanthemum maximum|Persea indica|Nephroma australe|Corydalis cornuta|Smenospongia echina|Coronophora gregaria|Scapania nemorea|Corynebacterium ammoniagenes|Viscum album|Relicina connivens|Fagara rubescens|Rhododendron ferrugineum|Dendrobates truncatus|Phegopteris bukoensis|Streptomyces coeruleorubidus|Leptothorax acervorum|Streptomyces misawanensis|Gloxinia erinoides|Eremophila serrulata|Campsis grandiflora| |
Path=CHUK pathway|IKBKB pathway|IL1B pathway|MMP9 pathway|NFKB1 pathway|TNF pathway|NFKBIA pathway|none|PTGS2 pathway|PARP1 pathway|MMP2 pathway|AR pathway|Gen=Others|Glycogen phosphorylase, muscle form - Oryctolagus cuniculus |Org= Staphylococcus aureus | Bacillus subtilis |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Mouse Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Bladder Cancer|Bladder carcinoma|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioma|Cervical Cancer|Cervical Carcinoma Papilloma |Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|Nasopharyngeal carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Hepatoma|Melanoma|Murine Melanoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Non-small Cell Lung Cancer|Bronchioalveolar Carcinoma|Lung Epithelial Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|Gen=Others |
3D viewer |
Pubchem |
5K3M 5X8S |
64945 |
77-52-1 |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O |
WCGUUGGRBIKTOS-UHFFFAOYSA-N |
456.70000 |
C30H48O3 |
6.327 |
1 |
1 |
57.50 |
1.0 |
33 |
5 |
Ursolic acid (Malol) is a pentacyclic triterpene acid, used in cosmetics. |
NSC 167406, NSC-4060 |
| Protocatechuic acid |
drug repurposing |
Hibiscus sabdariffa|Inonotus obliquus|Lonicera japonica| |
Path=BCL2 pathway|BAX pathway|NFKB3 pathway|MAPK14 pathway|MAPK8 pathway|Gen=Others |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Chronic Myelogenous Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Gen=Others |
|
|
2BUV 3PCA 1B4U 3LMX |
|
99-50-3 |
C1=CC(=C(C=C1C(=O)O)O)O |
YQUVCSBJEUQKSH-UHFFFAOYSA-N |
154.12000 |
C7H6O4 |
0.975 |
1 |
2 |
77.80 |
1.0 |
11 |
|
Protocatechuic acid (PCA), a dihydroxybenzoic acid, is a type of widely distributed naturally occurring phenolic acid. |
3,4-Dihydroxybenzoic acid, Protocatechuate |
| Genistein |
drug repurposing |
Pueraria thunbergiana|Pueraria radix|Pueraria mirifica|Dalbergia parviflora|Pueraria thomsonii|Cudrania tricuspidata|Pauridiantha callicarpoides|Coniochaeta saccardoi|Atroxima liberica|Lespedeza floribunda|Glycine max|Arum maximum|Streptomyces griseochromogenes|Tolypocladium album|Trogoderma granarium|aged korean fermented soybean paste|Glycyrrhiza glabra|Bergenia crassifolia|Euphrasia stricta|Astragalus spinosus|Streptomyces mirabilis|Glycyrrhiza inflata|Dalbergia obtusa|Rheum qinlingense|Palafoxia texana|Glycyrrhiza uralensis|Delphinium barbeyi|Papaver tatricum|Amaranthus spinosus|Dunalia solanacea|Lawsonia inermis|Dalbergia sissoo|Murraya exotica|Ips cembrae|Lippia integrifolia|Abies amabilis|Scolopia chinensis|Derris scandens|Murraya paniculata|Chelonaplysilla violacea|Piper dilatatum|Crotalaria orixensis|Heliotropium hirsutissimum|Calicotome villosa|Macadamia ternifolia|Peltogyne pubescens|Christisonia bicolor|[clostridium] cellulolyticum|Pueraria lobata|Prunus serrulata var. spontanea|Cullen corylifolium|Erysimum siliculosum|Pseudoceratina arabica|Citrus rugulosa|Albizia subdimidiata|Hyoscyamus pusillus|Andira inermis|Pueraria montana var. lobata|Astragalus bicuspis|Pterocarpus indicus|Allagopappus viscosissimus|Cistanche salsa|Nicotiana raimondii|Sanguisorba officinalis|Pueraria montana var. thomsonii|Zanthoxylum decaryi|Pleurotus japonicus|Lunularia cruciata|Flemingia macrophylla|Candida albicans|Teucrium betonicum|Sophora flavescens|Ranunculus peltatus|Justicia adhatoda|Homo sapiens|Setosphaeria holmii|Spatholobus suberectus|Desmodium styracifolium|Sophora japonica|Neomeris annulata|Conyza japonica|Coniophora puteana|Cistanches herba|Sisymbrium officinale|Sophora tonkinensis|Trollius europaeus|Lepidosperma ustulatum|Fomes fastuosus|Sojae semen praeparatum|Puerariae flos|Jamesoniella colorata|Streptomyces filamentosus|Trifolium pratense|Lecanora kukunorensis|Semiaquilegiae radix|Tenebrio obscurus|Vitex negundo|Cymodocea nodosa|Lupinus luteus|Aglaia australiensis|Hibiscus schizopetalus|Fructussophorae|Octopus vulgaris|Fumaria micrantha|Teucrium marum|Jacmaia incana|Piptanthus nepalensis|Davidsoniella virescens|Iridis tectori rhizoma|Pachychalina alcaloidifera|Dinophysis fortii|Stachys chrysantha|Atuna racemosa|Cordyceps sinensis|Maximowiczia sonorae|Radix puerariae|Camchaya loloana|Diplacus longiflorus|Styrax agrestis|Platytaenia lasiocarpa|Vepris nobilis|Belamcandae rhizome|Smilax bracteata|Chrysanthemum uliginosum|Eriocephalus punctulatus|Astragalus pycnanthus|Aspergillus albus|Kaempferia rotunda|Sojae semen nigrum|Chionodoxa gigantea|Pulsatilla campanella|Hydrangea serrata|Chamomilla recutita|Dendrobium candidum|Bonamia spectabilis|Sophorae tonkinensis radix et rhizome|Berlinia tomentosa|Garcinia oblongifolia|Amietophrynus regularis|Ophiopogon planiscapus|Eucommiae cortex|Tynanthus panurensis|Amorphinopsis foetida|Linum crispum|Melaleuca viminea|Pterodon emarginatus|Flos genkwa|Syzygium nervosum|Macrocentrus cingulum|Penstemon teucrioides|Xenia blumi|Ipomoea muricata|Streptomyces|Swertia decussata|Berberis floribunda|Rabdosia angustifolia|Tabebuia chrysantha|Trifolium resupinatum|Streptomyces roseolus nrrl b-5424|Inulanthera calva|Usnea canariensis|Panzeria canescens|Iyengaria stellata|Hapalosiphon delicatulus|Crassostrea virginica|Streptomyces globisporus 1912|Convallaria majalis|Crotalus atrox|Bertya dimerostigma|Pseudocinchona pachyceras|Streptomyces ans-127|Scutellaria sieberi|Munchausia speciosa|Rosulabryum capillare|Erycibe expansa|Petroselinum crispum|Piper wightii|Astragalus wiedemannianus|Tephrosia watsoniana|Ophiorrhiza kunstleri|phoma glomerata|Dalbergia odorifera|Licaria brasiliensis|Strongylodesma algoaensis|Salvia miltiorrhiza|Parameria laevigata|Pisolithus tinctorius|soybeans|Achillea pseudopectinata|Asterias rathbuni|Baccharoides anthelmintica|Pinus koraiensis|Dalbergia frutescens|Ginkgo biloba|Ascochyta viciae |
Path=BCL2 pathway|CASP3 pathway|ER alpha pathway|PPARA pathway|PTK activity|Gen=EGFR,Topoisomerase|Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Epidermal growth factor receptor erbB1 - Homo sapiens | UDP-glucuronosyltransferase 1-9 - Homo sapiens | Estrogen receptor beta - Homo sapiens | Cholinesterase - Equus caballus | Protein kinase C alpha - Homo sapiens | Xanthine dehydrogenase - Homo sapiens | Canalicular multispecific organic anion transporter 1 - Homo sapiens | Maltase-glucoamylase - Homo sapiens | Serotonin 2a (5-HT2a) receptor - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Human immunodeficiency virus type 1 integrase - Human immunodeficiency virus 1 | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Microtubule-associated protein tau - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Adenosine A1 receptor - Homo sapiens | Androgen Receptor - Homo sapiens | Sialidase - Clostridium perfringens | Cytochrome P450 19A1 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Pyruvate kinase - Leishmania mexicana | ATPase family AAA domain-containing protein 5 - Homo sapiens | Neuraminidase - Influenza A virus | Dopamine transporter - Homo sapiens | Serotonin 2c (5-HT2c) receptor - Homo sapiens | Estradiol 17-beta-dehydrogenase 2 - Homo sapiens | Multidrug resistance-associated protein 1 - Homo sapiens | Thrombopoietin - Homo sapiens | Prelamin-A/C - Homo sapiens | DNA topoisomerase II alpha - Homo sapiens | Peripheral myelin protein 22 - Homo sapiens | Estradiol 17-beta-dehydrogenase 1 - Homo sapiens | Adenosine A2a receptor - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Cytochrome P450 2C19 - Homo sapiens | Neuraminidase - Influenza A virus (A/Puerto Rico/8/1934(H1N1)) | Aldose reductase - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Quinone oxidoreductase - Mus musculus | LXR-beta - Homo sapiens | Survival motor neuron protein - Homo sapiens | Salivary alpha-amylase - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Cellular tumor antigen p53 - Homo sapiens | Monoamine oxidase A - Homo sapiens | Ornithine decarboxylase - Homo sapiens | P-glycoprotein 1 - Homo sapiens | Peroxisome proliferator-activated receptor gamma - Homo sapiens | Tyrosine-protein kinase YES - Homo sapiens | LXR-alpha - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Aldehyde oxidase - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Geminin - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Adenosine A2a receptor - Rattus norvegicus | Sialidase 2 - Homo sapiens | Tyrosine-protein kinase SYK - Homo sapiens | Ras-related protein Rab-9A - Homo sapiens | Testis-specific androgen-binding protein - Homo sapiens | Cystic fibrosis transmembrane conductance regulator - Rattus norvegicus | Cruzipain - Trypanosoma cruzi | Niemann-Pick C1 protein - Homo sapiens | Aldose reductase - Rattus norvegicus | 78 kDa glucose-regulated protein - Homo sapiens | Adenosine A1 receptor - Rattus norvegicus | Tyrosinase - Mus musculus | Cytochrome P450 1A2 - Homo sapiens | Hypoxia-inducible factor 1 alpha - Homo sapiens | Flap endonuclease 1 - Homo sapiens | M-phase phosphoprotein 8 - Homo sapiens | Sphingomyelin phosphodiesterase - Homo sapiens | Voltage-gated L-type calcium channel alpha-1C subunit - Rattus norvegicus | Tyrosine-protein kinase FYN - Homo sapiens | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Tyrosine-protein kinase BMX - Homo sapiens | ATP-binding cassette sub-family G member 2 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Fatty acid synthase - Plasmodium falciparum | Serine/threonine-protein kinase AKT - Homo sapiens | Serine/threonine-protein kinase PIM1 - Homo sapiens | Tyrosine-protein kinase SRC - Homo sapiens | Thromboxane-A synthase - Homo sapiens | Cyclooxygenase-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Androgen Receptor - Rattus norvegicus | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | DNA polymerase beta - Homo sapiens | Arachidonate 15-lipoxygenase - Oryctolagus cuniculus | Protein kinase Pfmrk - Plasmodium falciparum | Death-associated protein kinase 1 - Homo sapiens |Org= Rattus norvegicus | Callosobruchus chinensis | Tribolium castaneum | Rhyzopertha dominica | Sitophilus oryzae | Achaea janata | Plasmodium falciparum | Human immunodeficiency virus 1 | Hepatitis C virus | Cavia porcellus | Saccharomyces cerevisiae | Escherichia coli | Trypanosoma brucei brucei | Giardia intestinalis | Plasmodium berghei | Leishmania donovani |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Breast Carcinoma|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Gen=Protein Tyrosine Kinase |
3D viewer |
Pubchem |
3KGU 3KGT 1QKM 1X7J |
5280961 |
446-72-0 |
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O |
|
270.24000 |
C15H10O5 |
2.14 |
2 |
3 |
87.00 |
1.0 |
20 |
3 |
Genistein, a phytoestrogen found in soy products, is a highly specific inhibitor of protein tyrosine kinase (PTK) which blocks the mitogenic effect mediated by EGF on NIH-3T3 cells with IC50 of 12?M or by insulin with IC50 of 19 ?M. |
N/A |
| Cyclosporine |
drug repurposing |
Mycale hentscheli |
Gen=phosphatase,Immunology & Inflammation related|immunosuppressant |
Dis=Acute Myeloid Leukemia|Acute Myeloid Leukemia|Gen=Others |
3D viewer |
Pubchem |
4Y0Z 1YLC 1YLD 1WZ5 |
6435893 |
79217-60-0 |
CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C |
PMATZTZNYRCHOR-CGLBZJNRSA-N |
1202.61000 |
C62H111N11O12 |
4.333 |
11 |
5 |
279.00 |
15.0 |
85 |
|
Cyclosporine is a calcineurin phosphatase pathway inhibitor, used as an immunosuppressant drug to prevent rejection in organ transplantation. |
cyclosporin A|cyclosporine|Ciclosporin|59865-13-3|Ciclosporine|Neoral|Cyclosporine A|Cyclosporin|Ciclosporina|Ciclosporinum|Sandimmune|Equoral|Neoplanta|Sandimmun|Sang-35|Gengraf|Sandimmun Neoral|UNII-83HN0GTJ6D|Antibiotic S 7481F1|Consupren|Restasis|Ramihyphin A|SangCyA|83HN0GTJ6D|MLS001333756|CHEBI:4031|CSA|S-Neoral|Cipol N|Sigmasporin Microoral|Sang 35|DSSTox_CID_365|Ciclosporine [INN-French]|Ciclosporinum [INN-Latin]|Ciclosporina [INN-Spanish]|Ciclosporin (Ciclosporin A)|DSSTox_RID_75541|DSSTox_GSID_20365|SDZ-OXL 400|OL 27-400|CCRIS 1590|HSDB 6881|Abrammune|Imusporin|Seciera|Vekacia|DRG-0275|Papilock Mini|Arpimune ME|Zinograf ME|Sandimmune Neoral|C62H111N11O12|NSC 290193|Ciclosporina Germed|S 7481F1|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone|CYA|SMR000058578|Cicloral (antibiotic)|Debio088|79217-60-0|Cyclosporine [USAN:USP]|Sigmasporin|Cyclokat|Mitogard|Papilock|Pulminiq|Zyclorin|CicloMulsion|CyclosporinA|Ciclosporin DT|Consupren S|NSC290193|Modusik-A|NeuroSTAT|1cyn|2wfj|4jjm|Cipol-N|NCGC00016890-01|Neoral, Sandimmune|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,2|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19|(R-(R*,R*-(E)))-Cyclic(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-3-hydroxy-N,4-dimethyl-L-2-amino-6-octenoyl-L-alpha-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl)|Cyclo(((E)-(2S,3R,4R)-3-hydroxy-4-methyl-2-(methylamino)-6-octenoyl)-L-2-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl)|Cyclo(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-((3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methylleucyl)|Cyclo[[(E)-(2S,3R,4R)-3-hydroxy-4-methyl-2-(methylamino)-6-octenoyl]-L-2-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl]|Prestwick_731|Ciclosporin [INN]|CAS-59865-13-3|CsA & IFN.alpha.|1c5f|2z6w|Prestwick2_000435|Prestwick3_000435|CHEMBL160|Sang-2000|AC1NR4C4|SCHEMBL3491|SCHEMBL4442|Nova-22007|Ikervis (opthalmic solution)|BSPBio_000450|Cyclosporin A & IFN.alpha.|MLS000028376|MLS002153454|MLS002207033|Verkazia (opthalmic solution)|BPBio1_000496|GTPL1024|DTXSID0020365|CHEBI:92233|AOB2581|ATH-002|OLO-400|CB-01-09 MMX|MolPort-006-705-994|PMATZTZNYRCHOR-CGLBZJNRSA-N|HMS1569G12|HMS2089A09|HMS2096G12|HMS2230M14|HMS3713G12|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone|(R-[R*,R*-(E)])-Cyclic(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-3-hydroxy-N,4-dimethyl-L-2-amino-6-octenoyl-L-alpha-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl)|1,11-cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(E)-(2S,3R,4R)-2-amino-3-hydroxy-N,4-dimethyloct-6-enoyl-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucine]|30-Ethyl-33-(1-hydroxy-2-methyl-hex-4-enyl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone|30-ethyl-33-[(4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone|30-ethyl-33-[(4E)-1-hydroxy-2-methylhex-4-en-1-yl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone|Cyclo(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-((3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl)-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methylleucyl)|Tox21_110667|Tox21_301849|BDBM50022815|DE-076|MFCD00274558|ST-603|Cyclosporin A, >=98.5% (TLC)|AKOS015969287|AKOS015994720|Tox21_110667_1|CCG-208184|DB00091|EBD2126862|KS-1257|NCGC00093704-12|NCGC00164258-01|NCGC00164258-02|NCGC00164258-03|NCGC00255232-01|AT-12519|C042|OL-27400|SBI-0050230.P003|AB0090560|5946-EP0930075A1|5946-EP2289877A1|5946-EP2292601A1|5946-EP2292602A1|5946-EP2292603A1|5946-EP2292604A2|5946-EP2292618A1|5946-EP2293650A1|5946-EP2298737A1|5946-EP2298739A1|5946-EP2298740A1|5946-EP2298741A1|5946-EP2298771A2|5946-EP2301920A1|5946-EP2301940A1|5946-EP2308843A1|5946-EP2308861A1|J10181|J90049|865C133|Cyclosporin A, VETRANAL(TM), analytical standard|SR-01000780563|BMT-ABA-SAR-MLE-VAL-MLE-ALA-ALA-MLE-MLE-MVA|BMT-ABA-SAR-MLE-VAL-MLE-ALA-DAL-MLE-MLE-MVA|Q-200913|SR-01000780563-3|BRD-K03222093-001-01-8|BRD-K13533483-001-03-0|Ciclosporin, European Pharmacopoeia (EP) Reference Standard|Cyclosporin A, from Tolypocladium inflatum, >=95% (HPLC), solid|Cyclosporine, United States Pharmacopeia (USP) Reference Standard|Ciclosporin for system suitability, European Pharmacopoeia (EP) Reference Standard|Cyclosporin A, from Tolypocladium inflatum, BioReagent, for molecular biology, >=95%|Cyclosporine, Pharmaceutical Secondary Standard; Certified Reference Material|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,1|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone|104250-72-8|223528-56-1|30-Ethyl-33-((E)-1-hydroxy-2-methyl-hex-4-enyl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,28-octamethyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone|56645-58-0| |
| (-)-Epigallocatechin Gallate |
drug repurposing |
Diospyros kaki|Myrica rubra|Camellia sinensis|Prunus persica|Punica granatum|Ampelopsis japonica|Rhodiola rosea|Eriobotrya japonica|Morus alba|Ardisia japonica|Portulaca oleracea|Paeonia lactiflora| |
Path=ODC1 pathway|ABCG2 pathway|BCL2 pathway|BAX pathway|CASP3 pathway|PARP1 pathway|AR pathway|PSA pathway|N/A|CDK4 pathway|PCNA pathway|Gen=DNA Methyltransferase,HER2,Telomerase,EGFR,Fatty Acid Synthase|15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Arachidonate 15-lipoxygenase - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Histone acetyltransferase GCN5 - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Vitamin D receptor - Homo sapiens | DNA polymerase kappa - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | HERG - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Galactokinase - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis|Beta-secretase 1 - Homo sapiens|Beta-secretase 1 - Homo sapiens | Fucosyltransferase 4 - Homo sapiens | CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase - Homo sapiens | Alpha-(1,3)-fucosyltransferase 7 - Homo sapiens|Hepatocyte growth factor receptor - Homo sapiens | 3-oxoacyl-acyl-carrier protein reductase - Plasmodium falciparum | 6-phosphogluconate dehydrogenase - Homo sapiens | Glucose-6-phosphate 1-dehydrogenase - Saccharomyces cerevisiae S288c | Apoptosis regulator Bcl-2 - Homo sapiens | Heat shock protein HSP 90-beta - Homo sapiens | Enoyl-acyl-carrier protein reductase - Plasmodium falciparum | Fatty acid synthase - Plasmodium falciparum |Org= Rattus norvegicus | Human herpesvirus 1 | Plasmodium falciparum | Human immunodeficiency virus 1 |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Basophilic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|Uterine Neoplasms|leiomyoma|Gen=DNA Damage |
3D viewer |
Pubchem |
4E1A 4KQR 4KQK 4KQO |
65064 |
989-51-5 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
|
458.37000 |
C22H18O11 |
3.097 |
3 |
8 |
197.00 |
4.0 |
33 |
4 |
(-)-Epigallocatechin Gallate(EGCG) is the main catechin extraction of green tea that inhibits telomerase and DNA methyltransferase. EGCG blocks the activation of EGF receptors and HER-2 receptors. ECGG inhibits fatty acid synthase and glutamate dehydrogenase activity. |
EGCG |
| Artesunate |
drug repurposing |
Artemisia annua|Artemisia apiacea |
Path=KDR pathway|VEGFA pathway|Gen=STAT|antiparasitic|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus |Org= Plasmodium berghei | Plasmodium falciparum | Plasmodium falciparum (isolate K1 / Thailand) | Plasmodium falciparum NF54 | Plasmodium vinckei petteri | Toxoplasma gondii RH | Plasmodium vivax | Plasmodium falciparum 3D7 | Trypanosoma brucei brucei | Plasmodium malariae | Plasmodium yoelii nigeriensis | Plasmodium yoelii | Fasciola hepatica | Human herpesvirus 5 strain AD169 | Schistosoma mansoni | Echinococcus multilocularis | Schistosoma japonicum|Geminin - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Huntingtin - Homo sapiens |Org= Plasmodium falciparum | Trypanosoma brucei rhodesiense | Leishmania donovani | Trypanosoma cruzi |
Dis=Acute Myeloid Leukemia|Acute Myeloid Leukemia|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Ovarian Cancer|Epithelial Ovarian Cancer |Uterine Neoplasms|Choriocarcinoma|Gen=JAK/STAT |
3D viewer |
Pubchem |
|
6917864 |
88495-63-0 |
CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC(=O)CCC(=O)O)C |
FIHJKUPKCHIPAT-AHIGJZGOSA-N |
384.42000 |
C19H28O8 |
1.845 |
7 |
0 |
101.00 |
5.0 |
27 |
3 |
Artesunate is a part of the artemisinin group of agents with an IC50 of < 5 ?M for small cell lung carcinoma cell line H69. It is a potential inhibitor of STAT-3 and exhibits selective cytotoxicity of cancer cells over normal cells in vitro A potent inhibitor of EXP1. |
WR-256283 |
| Dihydroartemisinin (DHA) |
drug repurposing |
Artemisia annua|Artemisia apiacea |
Path=MAPK14 pathway|CASP3 pathway|P-glycoprotein 1 - Homo sapiens |Org= Plasmodium falciparum 3D7 | Plasmodium falciparum|Peripheral myelin protein 22 - Rattus norvegicus | Cytochrome P450 3A4 - Homo sapiens | Huntingtin - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Geminin - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | 78 kDa glucose-regulated protein - Homo sapiens | Survival motor neuron protein - Homo sapiens |Org= Plasmodium falciparum |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Non-small Cell Lung Cancer|Gen=Others |
3D viewer |
Pubchem |
|
3000518 |
71939-50-9 |
CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)O)C |
|
284.35000 |
C15H24O5 |
1.621 |
4 |
0 |
57.20 |
0.0 |
20 |
3 |
Dihydroartemisinin (DHA) is a semi-synthetic derivative of artemisinin and isolated from the traditional Chinese herb Artemisia annua. |
N/A |
| Paclitaxel |
anticancer |
Phyllosticta tabernaemontanae|Stephania japonica|Dioscorea collettii|Dioscorea futschauensis|Dioscorea nipponica|Dioscorea collettii var. hypoglauca|Cocculus trilobus|Dioscorea zingiberensis|Dioscorea althaeoides|Taxus brevifolia|Stephania hernandifolia|Dioscorea hypoglauca|Torreya grandis| |
Gen=Autophagy,Microtubule Associated|anticancer||Cholinesterase - Equus caballus | Tubulin alpha chain - Sus scrofa | Receptor protein-tyrosine kinase erbB-2 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | Nonstructural protein 1 - Influenza A virus | Cholecystokinin A receptor - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Cytochrome P450 3A4 - Homo sapiens | Cruzipain - Trypanosoma cruzi | Serine/threonine-protein kinase mTOR - Homo sapiens | Glucocorticoid receptor - Homo sapiens | Delta opioid receptor - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Androgen Receptor - Homo sapiens | Melanocortin receptor 5 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Geminin - Homo sapiens | Vitamin D receptor - Homo sapiens | Bloom syndrome protein - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Neurokinin 2 receptor - Homo sapiens | Multidrug resistance-associated protein 7 - Homo sapiens | Prelamin-A/C - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Tyrosine-protein kinase FYN - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | P-glycoprotein 1 - Homo sapiens | Bile salt export pump - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Ataxin-2 - Homo sapiens | Cytochrome P450 1A2 - Homo sapiens | Niemann-Pick C1 protein - Homo sapiens | Regulator of G-protein signaling 4 - Homo sapiens | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 2 - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Peripheral myelin protein 22 - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Botulinum neurotoxin type A - Clostridium botulinum | Alpha-synuclein - Homo sapiens | Solute carrier family 22 member 1 - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Ras-related protein Rab-9A - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens |Org= Oryctolagus cuniculus | Plasmodium falciparum | Artemia | Sus scrofa |
Dis=acute myeloid leukemia|human leukemia|Breast Cancer|Breast Carcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Gen=Cytoskeletal Signaling |
3D viewer |
Pubchem |
5HNW 5HNX 5HNZ 6B0C |
36314 |
33069-62-4 |
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C |
RCINICONZNJXQF-MZXODVADSA-N |
853.91000 |
C47H51NO14 |
3.055 |
11 |
3 |
221.00 |
14.0 |
62 |
7 |
Paclitaxel is a microtubule polymer stabilizer with IC50 of 0.1 pM in human endothelial cells. |
NSC 125973 |
| Luteolin |
drug repurposing |
Plantago major|Dracocephalum kotschyi|Rosmarinus officinalis|Tithonia diversifolia|Vitex rotundifolia|Olea europaea|Eupatorium odoratum|Plantago lagopus|Terminalia arjuna|Vitex trifolia|Perilla leaf|Chrysanthemum morifolium|Carex folliculata|Lonicera japonica|Cyperus alopecuroides|Punica granatum| |
Path=BCL2L1 pathway|BIRC5 pathway|CDK1 pathway|CDK2 pathway|CDK4 pathway|CDKN1A pathway|CDKN1B pathway|MCL1 pathway|CASP3 pathway|CASP8 pathway|CASP9 pathway|MAPK14 pathway|MAPK8 pathway|AIFM1 pathway|APEX2 pathway|NUDT1 pathway|OGG1 pathway|Gen=PDE |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Bladder Cancer|Transitional Cell Carcinoma|Breast Cancer|Breast Carcinoma|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Chronic Myelogenous Leukemia|Colorectal Cancer|Colorectal Adenocarcinoma|Fibrosarcoma|Murine Fibrosarcoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Hepatoma|Kidney Cancer|kidney cancer|Renal Cell Adenocarcinoma|Melanoma|malignant melanoma|mouse tumor model|DMBA/TPA induced skin carcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Histiocytic Lymphoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|large cell carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Prostate Cancer|Prostate Adenocarcinoma|Small Cell Lung Cancer|Small Cell Lung Carcinoma|Soft Tissue Sarcoma|Mouse sarcoma|Gen=Metabolism |
3D viewer |
Pubchem |
5AUU 4HKN 4QXV 3SZ1 |
5280445 |
491-70-3 |
C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O |
|
286.24000 |
C15H10O6 |
2.168 |
2 |
4 |
107.00 |
1.0 |
21 |
|
Luteolin is a flavonoid found in Terminalia chebula, which is a non-selective phisphodiesterase PDE inhibitor for PDE1-5 with Ki of 15.0 &muM, 6.4 &muM, 13.9 &muM, 11.1 &muM and 9.5 &muM, respectively. Phase 2. |
N/A |
| (-)-Parthenolide |
drug repurposing |
Tanacetum parthenium|Tsuga sieboldii|Lactarius blennius|Sinularia erecta|Silene dioica|Mollugo pentaphylla|Paederia foetida|Dolichos kilimandscharicus|Tuta absoluta|Artemisia phaeolepis|Laurencia dendroidea|Naucleopsis mello-barretoi|Laserpitium siler|Ambrosia psilostachya| |
Path=MLL pathway|MAPK14 pathway|Gen=HDAC,NF-?B,Mdm2,p53|Aldehyde dehydrogenase 1A1 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Parathyroid hormone receptor - Homo sapiens | Vitamin D receptor - Homo sapiens | Ferritin light chain - Equus caballus | Regulator of G-protein signaling 4 - Homo sapiens | Geminin - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens|Acetylcholinesterase - Electrophorus electricus | Nuclear factor NF-kappa-B p65 subunit - Homo sapiens | Nitric oxide synthase, inducible - Mus musculus | Serotonin 2a (5-HT2a) receptor - Rattus norvegicus | Caspase-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Cholinesterase - Equus caballus | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Transcriptional activator Myb - Gallus gallus | NACHT, LRR and PYD domains-containing protein 3 - Homo sapiens | UDP-N-acetylglucosamine 1-carboxyvinyltransferase - Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) | UDP-N-acetylglucosamine 1-carboxyvinyltransferase - Escherichia coli K-12 | Transcription factor Sp1 - Homo sapiens | Cyclooxygenase-2 - Homo sapiens |Org= Plasmodium falciparum | Orobanche cernua var. cumana|TAR DNA-binding protein 43 - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Ataxin-2 - Homo sapiens | Parathyroid hormone receptor - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|pre-B leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Medulloblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Melanoma|malignant melanoma|Skin Cancer|Epithelial cell carcinoma|Small Cell Lung Cancer|Small Cell Lung Carcinoma|Gen=NF-?B |
3D viewer |
Pubchem |
|
7251185 |
20554-84-1 |
CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C |
|
248.32000 |
C15H20O3 |
2.923 |
3 |
0 |
38.80 |
0.0 |
18 |
3 |
(-)-Parthenolide, an inhibitor of the Nuclear Factor-?B Pathway, specifically depletes HDAC1 protein without affecting other class I/II HDACs Also promotes the ubiquitination of MDM2 and activates p53 cellular functions. |
N/A |
| Silibinin |
drug repurposing |
Silybum marianum|Lycium chinense| |
Path=ERBB2 pathway|TP53 pathway|MYC pathway|SLC2A4 pathway|AKT1 pathway|TBC1D4 pathway|CASP3 pathway|LDHA pathway|PSA pathway|N/A|BCL2L1 pathway|MAPK14 pathway|MMP9 pathway|JUN pathway|MAP2K1 pathway|MAPK1 pathway|MAPK3 pathway|MAPK8 pathway|RAF1 pathway|CYCS pathway|EGFR pathway|IGF1R pathway|PTK2 pathway|VEGFA pathway|BID pathway|BIRC5 pathway|CASP8 pathway|CASP9 pathway|CFLAR pathway|TNFRSF10C pathway|DDIT3 pathway|TNFRSF10B pathway|FOS pathway|JUND pathway|MAPK9 pathway|MMP2 pathway|NFKB1 pathway|NFKB2 pathway|PLAU pathway|EIF4G1 pathway|HIF1A pathway|MTOR pathway|RPS6 pathway|RPS6KB2 pathway|STAT3 pathway|SPDEF pathway|CCND1 pathway|MCL1 pathway|EIF2A pathway|PARP1 pathway|Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | DNA polymerase iota - Homo sapiens | DNA polymerase eta - Homo sapiens | Large T antigen - Simian virus 40 | Geminin - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus |Org= Plasmodium falciparum|Tyrosinase - Agaricus bisporus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens |Org= Hepatitis C virus|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus | Tyrosinase - Agaricus bisporus | Cytochrome P450 3A4 - Homo sapiens | Sphingomyelin phosphodiesterase - Homo sapiens | Carbonic anhydrase IX - Homo sapiens | Androgen Receptor - Homo sapiens | Carbonic anhydrase XIV - Homo sapiens | Xanthine dehydrogenase - Bos taurus | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Hypoxia-inducible factor 1 alpha - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Canalicular multispecific organic anion transporter 1 - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Carbonic anhydrase I - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Prelamin-A/C - Homo sapiens | Thrombin - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Microtubule-associated protein tau - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Carbonic anhydrase II - Homo sapiens | Thyroid stimulating hormone receptor - Homo sapiens | Cruzipain - Trypanosoma cruzi | Multidrug resistance-associated protein 1 - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Lysosomal alpha-glucosidase - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Carbonic anhydrase VA - Homo sapiens | Xanthine dehydrogenase - Homo sapiens | Carbonic anhydrase VB - Homo sapiens | Carbonic anhydrase VII - Homo sapiens | Carbonic anhydrase XIII - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | Carbonic anhydrase III - Homo sapiens | Carbonic anhydrase 15 - Mus musculus | Interleukin-8 - Homo sapiens | P-glycoprotein 3 - Mus musculus | Nuclear receptor subfamily 1 group I member 2 - Rattus norvegicus | Xanthine dehydrogenase/oxidase - Rattus norvegicus | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | Carbonic anhydrase IV - Homo sapiens | Carbonic anhydrase XII - Homo sapiens | Carbonic anhydrase VI - Homo sapiens |Org= Mus musculus | Staphylococcus aureus | Pseudomonas aeruginosa | Plasmodium falciparum | Proteus mirabilis |
Dis=Breast Cancer|Breast Adenocarcinoma|Ductal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Central Nervous System Cancers|Glioblastoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
31553 |
22888-70-6 |
COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O |
|
482.44000 |
C25H22O10 |
2.592 |
5 |
5 |
155.00 |
4.0 |
35 |
5 |
Silibinin, the main flavonoid extracted from the milk thistle Silybum marianum, displays hepatoprotective properties in acute and chronic liver injury. |
Silybin |
| Silymarin |
drug repurposing |
Silybum marianum|Lycium chinense| |
Path=ERBB2 pathway|TP53 pathway|MYC pathway|SLC2A4 pathway|AKT1 pathway|TBC1D4 pathway|CASP3 pathway|LDHA pathway|PSA pathway|N/A|BCL2L1 pathway|MAPK14 pathway|MMP9 pathway|JUN pathway|MAP2K1 pathway|MAPK1 pathway|MAPK3 pathway|MAPK8 pathway|RAF1 pathway|CYCS pathway|EGFR pathway|IGF1R pathway|PTK2 pathway|VEGFA pathway|BID pathway|BIRC5 pathway|CASP8 pathway|CASP9 pathway|CFLAR pathway|TNFRSF10C pathway|DDIT3 pathway|TNFRSF10B pathway|FOS pathway|JUND pathway|MAPK9 pathway|MMP2 pathway|NFKB1 pathway|NFKB2 pathway|PLAU pathway|EIF4G1 pathway|HIF1A pathway|MTOR pathway|RPS6 pathway|RPS6KB2 pathway|STAT3 pathway|SPDEF pathway|CCND1 pathway|MCL1 pathway|EIF2A pathway|PARP1 pathway|Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | DNA polymerase iota - Homo sapiens | DNA polymerase eta - Homo sapiens | Large T antigen - Simian virus 40 | Geminin - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus |Org= Plasmodium falciparum|Tyrosinase - Agaricus bisporus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens |Org= Hepatitis C virus|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus | Tyrosinase - Agaricus bisporus | Cytochrome P450 3A4 - Homo sapiens | Sphingomyelin phosphodiesterase - Homo sapiens | Carbonic anhydrase IX - Homo sapiens | Androgen Receptor - Homo sapiens | Carbonic anhydrase XIV - Homo sapiens | Xanthine dehydrogenase - Bos taurus | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Hypoxia-inducible factor 1 alpha - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Canalicular multispecific organic anion transporter 1 - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Carbonic anhydrase I - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Prelamin-A/C - Homo sapiens | Thrombin - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Microtubule-associated protein tau - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Carbonic anhydrase II - Homo sapiens | Thyroid stimulating hormone receptor - Homo sapiens | Cruzipain - Trypanosoma cruzi | Multidrug resistance-associated protein 1 - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Lysosomal alpha-glucosidase - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Carbonic anhydrase VA - Homo sapiens | Xanthine dehydrogenase - Homo sapiens | Carbonic anhydrase VB - Homo sapiens | Carbonic anhydrase VII - Homo sapiens | Carbonic anhydrase XIII - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | Carbonic anhydrase III - Homo sapiens | Carbonic anhydrase 15 - Mus musculus | Interleukin-8 - Homo sapiens | P-glycoprotein 3 - Mus musculus | Nuclear receptor subfamily 1 group I member 2 - Rattus norvegicus | Xanthine dehydrogenase/oxidase - Rattus norvegicus | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | Carbonic anhydrase IV - Homo sapiens | Carbonic anhydrase XII - Homo sapiens | Carbonic anhydrase VI - Homo sapiens |Org= Mus musculus | Staphylococcus aureus | Pseudomonas aeruginosa | Plasmodium falciparum | Proteus mirabilis |
Dis=Breast Cancer|Breast Adenocarcinoma|Ductal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Central Nervous System Cancers|Glioblastoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
31553 |
22888-70-6 |
COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O |
|
482.44000 |
C25H22O10 |
2.592 |
5 |
5 |
155.00 |
4.0 |
35 |
5 |
Silymarin (Silybin B), a polyphenolic flavonoid extracted from the seeds of Silybum marianum or milk thistle, is used in the prevention and treatment of liver diseases and primary liver cancer. |
Silybin B |
| Tanshinone IIA |
drug repurposing |
Salvia miltiorrhizae |Salvia digitaloides|Allochromatium minutissimum|Ritterella rubra|Deguelia hatschbachii|Euphorbia sancta|Glycyrrhiza triphylla|Euphorbia retusa|Stauntonia obovatifoliola|Asphodeline tenuior|Viburnum sieboldi|Notholaena dealbata|Agathosma thymifolia|Camptothecium lutescens|Senecio madagascariensis|Artemisia siversiana|Metzgeria pubescens|Salvia miltiorrhiza|Phallusia fumigata|Salvia przewalskii|Rhabdia lycioides|Streptomyces lateritius|Radix salviae|Dioscorea communis|Palmaria palmata|Delphinium cyphoplectrum|Peucedani radix|Cladonia bellidiflora|Angelica decursiva|Glycine falcata|Peucedanum praeruptorum|Picradeniopsis pringlei|Combretum indicum|Decachaeta ovatifolia|Pleurophycus gardneri|Hydrolithon reinboldii|Bothriocline longipes|Salvia karabachensis|Salvia sclarea|Vicia sativa|Uvaria klaineana|Iris hoogiana|Amentotaxus yunnanensis|Amaranthus hybr |
Path=BCL2 pathway|BIRC5 pathway|MYC pathway|RB1 pathway|SPI1 pathway|BAX pathway|CASP3 pathway|PARP1 pathway|N/A|CDK2 pathway|CDKN1B pathway|NPM1 pathway|ERBB2 pathway|TP53 pathway|BCL2L1 pathway|CCND1 pathway|STAT3 pathway|MCL1 pathway|CYCS pathway|ESR1 pathway|ESR2 pathway|PCNA pathway|MMP2 pathway|MMP9 pathway|PLAU pathway|RELA pathway|TIMP1 pathway|TIMP2 pathway|CASP8 pathway|IL8 pathway|JUND pathway|NFKB1 pathway|AKT1 pathway|AURKA pathway|CASP9 pathway|MTOR pathway|PIK3CA pathway|CDK1 pathway|CCNB1 pathway|RPS6K pathway|Gen=Lipase|Cholinesterase - Equus caballus | Androgen Receptor - Homo sapiens | Apoptotic protease-activating factor 1 - Homo sapiens | Regulator of G-protein signaling 4 - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Aldose reductase - Rattus norvegicus | Papain - Carica papaya | Acetylcholinesterase - Electrophorus electricus | Acetylcholinesterase - Homo sapiens | Prelamin-A/C - Homo sapiens | Nonstructural protein 1 - Influenza A virus | Aldehyde dehydrogenase 1A1 - Homo sapiens | SARS coronavirus 3C-like proteinase - SARS coronavirus | Geminin - Homo sapiens | Aldose reductase - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Protein-tyrosine phosphatase 1C - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Carboxylesterase 2 - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Protein-tyrosine phosphatase 2C - Homo sapiens | Serine/threonine-protein kinase PLK1 - Homo sapiens | Ferritin light chain - Equus caballus | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens | Histone acetyltransferase GCN5 - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | Lysine-specific demethylase 4A - Homo sapiens | Monoglyceride lipase - Homo sapiens | Telomerase reverse transcriptase - Homo sapiens | DNA polymerase kappa - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | Protease - Human immunodeficiency virus 1 | Acyl coenzyme A:cholesterol acyltransferase - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | Rap guanine nucleotide exchange factor 3 - Homo sapiens | Acyl-CoA synthase - Mycobacterium tuberculosis | Vitamin D receptor - Homo sapiens |Org= Plasmodium falciparum |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|multidrug-resistant CEM/ADR5001 leukemia|Acute Myeloid Leukemia|Acute Monocytic Leukemia |Acute Promyelocytic Leukemia|Bone Cancer|Osteosarcoma|Breast Cancer|Ductal Adenocarcinoma|Breast Adenocarcinoma|Central Nervous System Cancers|Glioma|Cervical Cancer|Cervical Adenocarcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Gastrointestinal Cancer|Gastric carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Kidney Cancer|kidney cancer|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Lung Epithelial Carcinoma|Ovarian Cancer|Murine Ovarian Cancer|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=Metabolism |
3D viewer |
Pubchem |
4M0E |
164676 |
568-72-9 |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
|
294.34000 |
C19H18O3 |
4.66 |
3 |
0 |
47.30 |
0.0 |
22 |
4 |
Tanshinone IIA(Tanshinone B) is the most abundant diterpene quinone in Danshen, Salviae miltiorrhizae Radix, a widely prescribed traditional herbal medicine that is used to treat cardiovascular and inflammatory diseases A natural monoacylglycerol lipase inhibitor. |
Tanshinone B |
| Quercetin |
epigenetics |
Allium cepa|Diospyros lotus|Vaccinium macrocarpon|Ginkgo biloba|Aspergillus niger|Ardisia japonica|Draba nemorosa|Rabdosia japonica|Alnus sieboldiana|Hypericum perforatum| |
Path=CD19 pathway|CASP3 pathway|MAPK14 pathway|PTGS1 pathway|PTGS2 pathway|TNF pathway|CYP1A1 pathway|CYP1B1 pathway|Gen=Src,Sirtuin,PKC,PI3K |
Dis=Acute Lymphoblastic Leukemia|B-cell lymphoma|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|epidermal carcinoma of cervix|Colorectal Cancer|Colorectal Adenocarcinoma|Head and Neck Cancers|Oral Squamous Cell Carcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Kidney Cancer|Renal Cell Adenocarcinoma|Melanoma|Amelanotic melanoma|malignant melanoma|Murine Melanoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Prostate Cancer|prostate Carcinoma|Prostate Adenocarcinoma|Gen=Epigenetics |
3D viewer |
Pubchem |
3BPT 2HCK 4LMU 3LJ0 |
5280343 |
117-39-5 |
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O |
REFJWTPEDVJJIY-UHFFFAOYSA-N |
302.24000 |
C15H10O7 |
1.63 |
2 |
5 |
127.00 |
1.0 |
22 |
|
Quercetin, a natural flavonoid present in vegetables, fruit and wine, is a stimulator of recombinant SIRT1 and also a PI3K inhibitor with IC50 of 2.4-5.4 ?M. Phase 4. |
Sophoretin |
| Resveratrol |
epigenetics |
Vitis vinifera|Polygonum cuspidatum|Veratrum grandiflorum|Eucalyptus wandoo|Sinularia depressa|Daemonorops draco|Semen phaseoli|Picea glehnii|Rumex maritimus|Dryopteris crassirhizoma|Pleuropterus ciliinervis|Veratrum nigrum var. ussuriense|Gnetum latifolium|Hedysarum connatum|Humulus lupulus|Pseudoalteromonas luteoviolacea|Cassia dentata|Trifolium dubium|Sphaerella laricina|Hypericum laricifolium|Morus alba|Testa arachidis hypogaeae|Artemisia assoana|Adansonia grandidieri|Oroxylum indicum|Caragana tibetica|Aconitum seravschanicum|Dumortiera hirsuta|Ampelopsis glandulosa var. brevipedunculata|Rheum wittrocki|Senecio subdentatus|Streptomyces avermitilis|Fallopia multiflora|Arachis hypogaea|Drechslera avenae|Swertia franchetiana|Bassia muricata|Rheum coreanum|Cudrania javanensis|Sabina sargentii|Adiantum lunulatum|Rheum officinale|Nasutitermes ephratae|Bishovia boliviensis|Rheum palmatum|Vitis spp.|Acacia adunca|Chaenomeles sinensis|Rheum tanguticum|Veratrum album|Vatica rassak|Onobrychis arenaria|Caragana aurantiaca|Rubia cordifolia|Annona cornifolia|Eucalyptus melliodora|Smilax china|Broussonetia papyrifera|Vitis spp|Peltostigma guatemalense|Marrubium anisodon|Lavandula vera|Smilax glabra|Rauvolfia vomitoria|Biancaea decapetala|Ampelopsis brevipedunculata|Wikstroemia retusa|Cotyledon secunda|Vigna angularis|Enceliopsis argophylla|Caesalpinia decapetala|Pastinaca sativa|Calostephane divaricata|Vigna umbellata|Anacystis montana|Polygonum multiflorum|Naucleopsis ternstroemiiflora|Salvia syriaca|Vigna umbeuata|Laurencia spectabilis|Dictyopteris australis|Cytophaga hutchinsoni|Asterospicularia laurae|Scutellaria amoena|Eria mollis|Solanum laxum|Artocarpus dadah|Lepisorus ussuriensis|Amathia pinnata|Gnetum parvifolium|Alstonia spathulata|Gadus morhua callarias|Miliusa velutina|Phoebe pittieri|Aphyllocladus denticulatus|Eriocheir sinensis|Epichloe festucae var. lolii|Blastochloris viridis|Astragalus sempervirens|Dendriopoterium menendezii|Physalis alkekengi|Psychotria stachyoides|Olibanun|Premna odorata|Goniothalamus malayanus|Rivularia firma|Boehmeriae rhizoma et radix|Pinus sibirica|Justicia secunda|Aster sedifolius|Leathesia nana|Polygoni cuspidati rhizoma et radix|Ipomoea digitata|Neobalanocarpus heimii|Isaria fumosorosea|Zanthoxylum tetraspermum|Ampelopsis japonica|Aconitum tasiromontanum|Viguiera incana|Dodonaea viscosa|Smilax menispermoidea|Flacourtia jangomas|Dysoxylum cumingianum|Belamcandae rhizome|Radix cudraniae|Teucrium yemense|Helipterum roseum|Mori fructus|Lysimachia mauritiana|Rattus rattus|Iris domestica|Caulocystis cephalornithos|Vaccinium oxycoccos|Bulla striata| |
Gen=Autophagy|NAD(P)H dehydrogenase [quinone] 1 - Mus musculus | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Survival motor neuron protein - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Cytochrome P450 1A2 - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Cytochrome P450 2C19 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Pyruvate kinase - Leishmania mexicana | Lysine-specific demethylase 4D-like - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Prelamin-A/C - Homo sapiens | Cytochrome P450 19A1 - Homo sapiens | Monoamine oxidase B - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Histone acetyltransferase GCN5 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens |Org= Plasmodium falciparum|Carbonic anhydrase II - Homo sapiens | Carbonic anhydrase XIV - Homo sapiens | Carbonic anhydrase I - Homo sapiens | Carbonic anhydrase 15 - Mus musculus | Carbonic anhydrase VA - Homo sapiens | Carbonic anhydrase VB - Homo sapiens | Carbonic anhydrase IV - Homo sapiens | Carbonic anhydrase III - Homo sapiens | Carbonic anhydrase XII - Homo sapiens | Carbonic anhydrase XIII - Homo sapiens | Carbonic anhydrase VI - Homo sapiens | Carbonic anhydrase VII - Homo sapiens | Carbonic anhydrase IX - Homo sapiens| Chromobox protein homolog 1 - Homo sapiens | NAD-dependent deacetylase sirtuin 1 - Homo sapiens | Prenyltransferase homolog - Streptomyces coelicolor A3 | Estrogen receptor beta - Homo sapiens | Beta amyloid A4 protein - Homo sapiens | P-glycoprotein 1 - Homo sapiens | Protein-tyrosine phosphatase 1B - Homo sapiens | Cyclooxygenase-1 - Homo sapiens | Tyrosine-protein kinase LCK - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | 78 kDa glucose-regulated protein - Homo sapiens | Cyclooxygenase-1 - Ovis aries | Tyrosinase - Agaricus bisporus | Cyclooxygenase-2 - Homo sapiens | Transient receptor potential cation channel subfamily A member 1 - Rattus norvegicus | Androgen Receptor - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Regulator of G-protein signaling 4 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | M-phase phosphoprotein 8 - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Zinc finger protein mex-5 - Caenorhabditis elegans | Aryl hydrocarbon receptor - Oryctolagus cuniculus | Monoamine oxidase A - Homo sapiens | Niemann-Pick C1 protein - Homo sapiens | Serine/threonine-protein kinase mTOR - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Ornithine decarboxylase - Homo sapiens | Apoptosis regulator Bcl-X - Homo sapiens | Alpha-1d adrenergic receptor - Rattus norvegicus | Arachidonate 15-lipoxygenase, type II - Homo sapiens | Leukotriene A4 hydrolase - Homo sapiens | N1L - Vaccinia virus | Huntingtin - Homo sapiens | M18 aspartyl aminopeptidase - Plasmodium falciparum 3D7 | Norepinephrine transporter - Homo sapiens | Nitric oxide synthase, inducible - Mus musculus | Nuclear receptor ROR-gamma - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Large T antigen - Simian virus 40 | Carbonic anhydrase II - Homo sapiens | Bcr/Abl fusion protein - Homo sapiens | Tyrosinase - Mus musculus | Ras-related protein Rab-9A - Homo sapiens | NAD-dependent deacetylase sirtuin 2 - Homo sapiens | Cytochrome P450 1A1 - Homo sapiens | Cyclooxygenase-2 - Ovis aries | Sucrase-isomaltase - Rattus norvegicus | Tyrosinase - Homo sapiens | Cholinesterase - Equus caballus | Acidic alpha-glucosidase - Rattus norvegicus | Cerebroside-sulfatase - Homo sapiens | Lysosomal alpha-glucosidase - Homo sapiens | FAD-linked sulfhydryl oxidase ALR - Homo sapiens | Peripheral myelin protein 22 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | Quinone reductase 2 - Homo sapiens | Bloom syndrome protein - Homo sapiens | Cytochrome P450 1B1 - Homo sapiens | Protein kinase C alpha - Homo sapiens | Cathepsin L - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | Canalicular multispecific organic anion transporter 1 - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Carbonic anhydrase IX - Homo sapiens | 6-phospho-1-fructokinase - Trypanosoma brucei |Org= Filobasidiella neoformans | Pseudomonas aeruginosa PAO1 | Streptococcus mutans | Plasmodium falciparum | Candida albicans SC5314 | Helicobacter pylori | Neofusicoccum luteum | Human immunodeficiency virus 1 | Chromobacterium violaceum | Neisseria gonorrhoeae | Candida albicans | Streptococcus sanguinis | Staphylococcus aureus | Tetrahymena thermophila | Saccharomyces cerevisiae | Agrobacterium tumefaciens | Pseudomonas aeruginosa | Leishmania donovani |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Non-Melanoma Skin Cancers|Fibroblast|Non-small Cell Lung Cancer|Lewis Lung carcinoma |Gen=Autophagy |
3D viewer |
Pubchem |
4JAZ 1DVS 4QOH 4QOJ |
445154 |
501-36-0 |
C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O |
LUKBXSAWLPMMSZ-UHFFFAOYSA-N |
228.24000 |
C14H12O3 |
3.09 |
0 |
3 |
60.70 |
2.0 |
17 |
2 |
Resveratrol has a wide spectrum of targets including cyclooxygenases(i.e. COX, IC50=1.1 ?M), lipooxygenases?LOX, IC50=2.7 ?M?, kinases, sirtuins and other proteins. It has anti-cancer, anti-inflammatory, blood-sugar-lowering and other beneficial cardiovascular effects. |
N/A |
| (-)-Epigallocatechin Gallate |
epigenetics |
Diospyros kaki|Myrica rubra|Camellia sinensis|Prunus persica|Punica granatum|Ampelopsis japonica|Rhodiola rosea|Eriobotrya japonica|Morus alba|Ardisia japonica|Portulaca oleracea|Paeonia lactiflora| |
Path=ODC1 pathway|ABCG2 pathway|BCL2 pathway|BAX pathway|CASP3 pathway|PARP1 pathway|AR pathway|PSA pathway|N/A|CDK4 pathway|PCNA pathway|Gen=DNA Methyltransferase,HER2,Telomerase,EGFR,Fatty Acid Synthase|15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Arachidonate 15-lipoxygenase - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Lysine-specific demethylase 4D-like - Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Histone acetyltransferase GCN5 - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Vitamin D receptor - Homo sapiens | DNA polymerase kappa - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | HERG - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Galactokinase - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis|Beta-secretase 1 - Homo sapiens|Beta-secretase 1 - Homo sapiens | Fucosyltransferase 4 - Homo sapiens | CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase - Homo sapiens | Alpha-(1,3)-fucosyltransferase 7 - Homo sapiens|Hepatocyte growth factor receptor - Homo sapiens | 3-oxoacyl-acyl-carrier protein reductase - Plasmodium falciparum | 6-phosphogluconate dehydrogenase - Homo sapiens | Glucose-6-phosphate 1-dehydrogenase - Saccharomyces cerevisiae S288c | Apoptosis regulator Bcl-2 - Homo sapiens | Heat shock protein HSP 90-beta - Homo sapiens | Enoyl-acyl-carrier protein reductase - Plasmodium falciparum | Fatty acid synthase - Plasmodium falciparum |Org= Rattus norvegicus | Human herpesvirus 1 | Plasmodium falciparum | Human immunodeficiency virus 1 |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Acute Myeloid Leukemia|Basophilic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Non-Hodgkin's Lymphomas|Burkitt’s Lymphoma|Prostate Cancer|Prostate Adenocarcinoma|Uterine Neoplasms|leiomyoma|Gen=DNA Damage |
3D viewer |
Pubchem |
4E1A 4KQR 4KQK 4KQO |
65064 |
989-51-5 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
|
458.37000 |
C22H18O11 |
3.097 |
3 |
8 |
197.00 |
4.0 |
33 |
4 |
(-)-Epigallocatechin Gallate(EGCG) is the main catechin extraction of green tea that inhibits telomerase and DNA methyltransferase. EGCG blocks the activation of EGF receptors and HER-2 receptors. ECGG inhibits fatty acid synthase and glutamate dehydrogenase activity. |
EGCG |
| (-)-Parthenolide |
epigenetics |
Tanacetum parthenium|Tsuga sieboldii|Lactarius blennius|Sinularia erecta|Silene dioica|Mollugo pentaphylla|Paederia foetida|Dolichos kilimandscharicus|Tuta absoluta|Artemisia phaeolepis|Laurencia dendroidea|Naucleopsis mello-barretoi|Laserpitium siler|Ambrosia psilostachya| |
Path=MLL pathway|MAPK14 pathway|Gen=HDAC,NF-?B,Mdm2,p53|Aldehyde dehydrogenase 1A1 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Parathyroid hormone receptor - Homo sapiens | Vitamin D receptor - Homo sapiens | Ferritin light chain - Equus caballus | Regulator of G-protein signaling 4 - Homo sapiens | Geminin - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens|Acetylcholinesterase - Electrophorus electricus | Nuclear factor NF-kappa-B p65 subunit - Homo sapiens | Nitric oxide synthase, inducible - Mus musculus | Serotonin 2a (5-HT2a) receptor - Rattus norvegicus | Caspase-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Cholinesterase - Equus caballus | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Transcriptional activator Myb - Gallus gallus | NACHT, LRR and PYD domains-containing protein 3 - Homo sapiens | UDP-N-acetylglucosamine 1-carboxyvinyltransferase - Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) | UDP-N-acetylglucosamine 1-carboxyvinyltransferase - Escherichia coli K-12 | Transcription factor Sp1 - Homo sapiens | Cyclooxygenase-2 - Homo sapiens |Org= Plasmodium falciparum | Orobanche cernua var. cumana|TAR DNA-binding protein 43 - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Ataxin-2 - Homo sapiens | Parathyroid hormone receptor - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|pre-B leukemia|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Central Nervous System Cancers|Glioblastoma|Medulloblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Melanoma|malignant melanoma|Skin Cancer|Epithelial cell carcinoma|Small Cell Lung Cancer|Small Cell Lung Carcinoma|Gen=NF-?B |
3D viewer |
Pubchem |
|
7251185 |
20554-84-1 |
CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C |
|
248.32000 |
C15H20O3 |
2.923 |
3 |
0 |
38.80 |
0.0 |
18 |
3 |
(-)-Parthenolide, an inhibitor of the Nuclear Factor-?B Pathway, specifically depletes HDAC1 protein without affecting other class I/II HDACs Also promotes the ubiquitination of MDM2 and activates p53 cellular functions. |
N/A |
| Paclitaxel |
FDA approved |
Phyllosticta tabernaemontanae|Stephania japonica|Dioscorea collettii|Dioscorea futschauensis|Dioscorea nipponica|Dioscorea collettii var. hypoglauca|Cocculus trilobus|Dioscorea zingiberensis|Dioscorea althaeoides|Taxus brevifolia|Stephania hernandifolia|Dioscorea hypoglauca|Torreya grandis| |
Gen=Autophagy,Microtubule Associated|anticancer||Cholinesterase - Equus caballus | Tubulin alpha chain - Sus scrofa | Receptor protein-tyrosine kinase erbB-2 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | Nonstructural protein 1 - Influenza A virus | Cholecystokinin A receptor - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Cytochrome P450 3A4 - Homo sapiens | Cruzipain - Trypanosoma cruzi | Serine/threonine-protein kinase mTOR - Homo sapiens | Glucocorticoid receptor - Homo sapiens | Delta opioid receptor - Homo sapiens | ATP-dependent DNA helicase Q1 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Androgen Receptor - Homo sapiens | Melanocortin receptor 5 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Geminin - Homo sapiens | Vitamin D receptor - Homo sapiens | Bloom syndrome protein - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Neurokinin 2 receptor - Homo sapiens | Multidrug resistance-associated protein 7 - Homo sapiens | Prelamin-A/C - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Tyrosine-protein kinase FYN - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | P-glycoprotein 1 - Homo sapiens | Bile salt export pump - Homo sapiens | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Ataxin-2 - Homo sapiens | Cytochrome P450 1A2 - Homo sapiens | Niemann-Pick C1 protein - Homo sapiens | Regulator of G-protein signaling 4 - Homo sapiens | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 2 - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Peripheral myelin protein 22 - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Botulinum neurotoxin type A - Clostridium botulinum | Alpha-synuclein - Homo sapiens | Solute carrier family 22 member 1 - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Ras-related protein Rab-9A - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens |Org= Oryctolagus cuniculus | Plasmodium falciparum | Artemia | Sus scrofa |
Dis=acute myeloid leukemia|human leukemia|Breast Cancer|Breast Carcinoma|Colorectal Cancer|Colorectal Adenocarcinoma|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Gen=Cytoskeletal Signaling |
3D viewer |
Pubchem |
5HNW 5HNX 5HNZ 6B0C |
36314 |
33069-62-4 |
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C |
RCINICONZNJXQF-MZXODVADSA-N |
853.91000 |
C47H51NO14 |
3.055 |
11 |
3 |
221.00 |
14.0 |
62 |
7 |
Paclitaxel is a microtubule polymer stabilizer with IC50 of 0.1 pM in human endothelial cells. |
NSC 125973 |
| Artemisinin |
FDA approved |
Artemisia annua| |
Path=MMP2 pathway|CDK2 pathway|CDK4 pathway|RB1 pathway|SP1 pathway|Gen=Anti-infection|Org=Plasmodium falciparum 3D7 | Plasmodium falciparum | Plasmodium berghei | Plasmodium falciparum (isolate K1 / Thailand) | Plasmodium falciparum D6|Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | TAR DNA-binding protein 43 - Homo sapiens | Nonstructural protein 1 - Influenza A virus | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis |Org= Plasmodium falciparum|Histidine-rich protein - Plasmodium falciparum | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Cytochrome P450 2B6 - Homo sapiens | Geminin - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Cytochrome P450 1A2 - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Cholinesterase - Equus caballus | Ferritin light chain - Equus caballus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens |Org= Plasmodium berghei | Plasmodium falciparum 3D7 | Ipomoea grandifolia | Toxoplasma gondii | Plasmodium falciparum (isolate FcB1 / Columbia) | Leishmania donovani | Trypanosoma cruzi | Epilachna | Issatchenkia orientalis | Plasmodium yoelii nigeriensis | Candida albicans | Trypanosoma brucei rhodesiense | Gallus gallus | Filobasidiella neoformans | Urochloa decumbens | Plasmodium vinckei petteri | Balamuthia mandrillaris | Hepatitis B virus | Giardia intestinalis | Plasmodium falciparum NF54 | Fusarium oxysporum|Androgen Receptor - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Huntingtin - Homo sapiens |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Breast Cancer|Ductal Adenocarcinoma|Melanoma|malignant melanoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Gen=Microbiology |
3D viewer |
Pubchem |
|
68827 |
63968-64-9 |
CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)C |
BLUAFEHZUWYNDE-UHFFFAOYSA-N |
282.33000 |
C15H22O5 |
1.998 |
5 |
0 |
54.00 |
0.0 |
20 |
3 |
Artemisinin is a sesquiterpene endoperoxide which is a potent antimalarial agent. |
Qinghaosu,Artemisinine |
| Mercaptopurine (6-MP) |
FDA approved |
Origanum dictamnus|allium porrum|Entada africana|Lantana fucata |
Gen=DNA/RNA Synthesis|Cellular tumor antigen p53 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Transcriptional regulator ERG - Homo sapiens | Androgen Receptor - Homo sapiens | Thioredoxin glutathione reductase - Schistosoma mansoni | Cyclooxygenase-1 - Homo sapiens | Solute carrier family 22 member 8 - Rattus norvegicus | Lysine-specific demethylase 4D-like - Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | 4'-phosphopantetheinyl transferase ffp - Bacillus subtilis | Survival motor neuron protein - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | Putative fructose-1,6-bisphosphate aldolase - Giardia intestinalis | Lysine-specific demethylase 4A - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Purine nucleoside phosphorylase - Mycobacterium tuberculosis |Org= Mycobacterium avium subsp. paratuberculosis | Plasmodium falciparum | Escherichia coli | Leishmania amazonensis | Bacillus anthracis | Mycobacterium avium |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Non-small Cell Lung Cancer|Bronchioalveolar Carcinoma|Gen=DNA Damage |
3D viewer |
Pubchem |
3BGD 3NS1 |
667490 |
50-44-2 |
C1=NC2=C(N1)C(=S)N=CN2 |
GLVAUDGFNGKCSF-UHFFFAOYSA-N |
152.18000 |
C5H4N4S |
0.367 |
2 |
2 |
85.20 |
0.0 |
10 |
2 |
Mercaptopurine is a widely used antileukemic agent and immunosuppressive drug that inhibits de novo purine synthesis through incorporation of thiopurine methyltransferase metabolites into DNA and RNA. |
N/A |
| Genistein |
FDA approved |
Pueraria thunbergiana|Pueraria radix|Pueraria mirifica|Dalbergia parviflora|Pueraria thomsonii|Cudrania tricuspidata|Pauridiantha callicarpoides|Coniochaeta saccardoi|Atroxima liberica|Lespedeza floribunda|Glycine max|Arum maximum|Streptomyces griseochromogenes|Tolypocladium album|Trogoderma granarium|aged korean fermented soybean paste|Glycyrrhiza glabra|Bergenia crassifolia|Euphrasia stricta|Astragalus spinosus|Streptomyces mirabilis|Glycyrrhiza inflata|Dalbergia obtusa|Rheum qinlingense|Palafoxia texana|Glycyrrhiza uralensis|Delphinium barbeyi|Papaver tatricum|Amaranthus spinosus|Dunalia solanacea|Lawsonia inermis|Dalbergia sissoo|Murraya exotica|Ips cembrae|Lippia integrifolia|Abies amabilis|Scolopia chinensis|Derris scandens|Murraya paniculata|Chelonaplysilla violacea|Piper dilatatum|Crotalaria orixensis|Heliotropium hirsutissimum|Calicotome villosa|Macadamia ternifolia|Peltogyne pubescens|Christisonia bicolor|[clostridium] cellulolyticum|Pueraria lobata|Prunus serrulata var. spontanea|Cullen corylifolium|Erysimum siliculosum|Pseudoceratina arabica|Citrus rugulosa|Albizia subdimidiata|Hyoscyamus pusillus|Andira inermis|Pueraria montana var. lobata|Astragalus bicuspis|Pterocarpus indicus|Allagopappus viscosissimus|Cistanche salsa|Nicotiana raimondii|Sanguisorba officinalis|Pueraria montana var. thomsonii|Zanthoxylum decaryi|Pleurotus japonicus|Lunularia cruciata|Flemingia macrophylla|Candida albicans|Teucrium betonicum|Sophora flavescens|Ranunculus peltatus|Justicia adhatoda|Homo sapiens|Setosphaeria holmii|Spatholobus suberectus|Desmodium styracifolium|Sophora japonica|Neomeris annulata|Conyza japonica|Coniophora puteana|Cistanches herba|Sisymbrium officinale|Sophora tonkinensis|Trollius europaeus|Lepidosperma ustulatum|Fomes fastuosus|Sojae semen praeparatum|Puerariae flos|Jamesoniella colorata|Streptomyces filamentosus|Trifolium pratense|Lecanora kukunorensis|Semiaquilegiae radix|Tenebrio obscurus|Vitex negundo|Cymodocea nodosa|Lupinus luteus|Aglaia australiensis|Hibiscus schizopetalus|Fructussophorae|Octopus vulgaris|Fumaria micrantha|Teucrium marum|Jacmaia incana|Piptanthus nepalensis|Davidsoniella virescens|Iridis tectori rhizoma|Pachychalina alcaloidifera|Dinophysis fortii|Stachys chrysantha|Atuna racemosa|Cordyceps sinensis|Maximowiczia sonorae|Radix puerariae|Camchaya loloana|Diplacus longiflorus|Styrax agrestis|Platytaenia lasiocarpa|Vepris nobilis|Belamcandae rhizome|Smilax bracteata|Chrysanthemum uliginosum|Eriocephalus punctulatus|Astragalus pycnanthus|Aspergillus albus|Kaempferia rotunda|Sojae semen nigrum|Chionodoxa gigantea|Pulsatilla campanella|Hydrangea serrata|Chamomilla recutita|Dendrobium candidum|Bonamia spectabilis|Sophorae tonkinensis radix et rhizome|Berlinia tomentosa|Garcinia oblongifolia|Amietophrynus regularis|Ophiopogon planiscapus|Eucommiae cortex|Tynanthus panurensis|Amorphinopsis foetida|Linum crispum|Melaleuca viminea|Pterodon emarginatus|Flos genkwa|Syzygium nervosum|Macrocentrus cingulum|Penstemon teucrioides|Xenia blumi|Ipomoea muricata|Streptomyces|Swertia decussata|Berberis floribunda|Rabdosia angustifolia|Tabebuia chrysantha|Trifolium resupinatum|Streptomyces roseolus nrrl b-5424|Inulanthera calva|Usnea canariensis|Panzeria canescens|Iyengaria stellata|Hapalosiphon delicatulus|Crassostrea virginica|Streptomyces globisporus 1912|Convallaria majalis|Crotalus atrox|Bertya dimerostigma|Pseudocinchona pachyceras|Streptomyces ans-127|Scutellaria sieberi|Munchausia speciosa|Rosulabryum capillare|Erycibe expansa|Petroselinum crispum|Piper wightii|Astragalus wiedemannianus|Tephrosia watsoniana|Ophiorrhiza kunstleri|phoma glomerata|Dalbergia odorifera|Licaria brasiliensis|Strongylodesma algoaensis|Salvia miltiorrhiza|Parameria laevigata|Pisolithus tinctorius|soybeans|Achillea pseudopectinata|Asterias rathbuni|Baccharoides anthelmintica|Pinus koraiensis|Dalbergia frutescens|Ginkgo biloba|Ascochyta viciae |
Path=BCL2 pathway|CASP3 pathway|ER alpha pathway|PPARA pathway|PTK activity|Gen=EGFR,Topoisomerase|Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Epidermal growth factor receptor erbB1 - Homo sapiens | UDP-glucuronosyltransferase 1-9 - Homo sapiens | Estrogen receptor beta - Homo sapiens | Cholinesterase - Equus caballus | Protein kinase C alpha - Homo sapiens | Xanthine dehydrogenase - Homo sapiens | Canalicular multispecific organic anion transporter 1 - Homo sapiens | Maltase-glucoamylase - Homo sapiens | Serotonin 2a (5-HT2a) receptor - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Human immunodeficiency virus type 1 integrase - Human immunodeficiency virus 1 | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Microtubule-associated protein tau - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Adenosine A1 receptor - Homo sapiens | Androgen Receptor - Homo sapiens | Sialidase - Clostridium perfringens | Cytochrome P450 19A1 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Pyruvate kinase - Leishmania mexicana | ATPase family AAA domain-containing protein 5 - Homo sapiens | Neuraminidase - Influenza A virus | Dopamine transporter - Homo sapiens | Serotonin 2c (5-HT2c) receptor - Homo sapiens | Estradiol 17-beta-dehydrogenase 2 - Homo sapiens | Multidrug resistance-associated protein 1 - Homo sapiens | Thrombopoietin - Homo sapiens | Prelamin-A/C - Homo sapiens | DNA topoisomerase II alpha - Homo sapiens | Peripheral myelin protein 22 - Homo sapiens | Estradiol 17-beta-dehydrogenase 1 - Homo sapiens | Adenosine A2a receptor - Homo sapiens | MAP kinase ERK2 - Homo sapiens | Cytochrome P450 2C19 - Homo sapiens | Neuraminidase - Influenza A virus (A/Puerto Rico/8/1934(H1N1)) | Aldose reductase - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Quinone oxidoreductase - Mus musculus | LXR-beta - Homo sapiens | Survival motor neuron protein - Homo sapiens | Salivary alpha-amylase - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Cellular tumor antigen p53 - Homo sapiens | Monoamine oxidase A - Homo sapiens | Ornithine decarboxylase - Homo sapiens | P-glycoprotein 1 - Homo sapiens | Peroxisome proliferator-activated receptor gamma - Homo sapiens | Tyrosine-protein kinase YES - Homo sapiens | LXR-alpha - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Aldehyde oxidase - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Geminin - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Adenosine A2a receptor - Rattus norvegicus | Sialidase 2 - Homo sapiens | Tyrosine-protein kinase SYK - Homo sapiens | Ras-related protein Rab-9A - Homo sapiens | Testis-specific androgen-binding protein - Homo sapiens | Cystic fibrosis transmembrane conductance regulator - Rattus norvegicus | Cruzipain - Trypanosoma cruzi | Niemann-Pick C1 protein - Homo sapiens | Aldose reductase - Rattus norvegicus | 78 kDa glucose-regulated protein - Homo sapiens | Adenosine A1 receptor - Rattus norvegicus | Tyrosinase - Mus musculus | Cytochrome P450 1A2 - Homo sapiens | Hypoxia-inducible factor 1 alpha - Homo sapiens | Flap endonuclease 1 - Homo sapiens | M-phase phosphoprotein 8 - Homo sapiens | Sphingomyelin phosphodiesterase - Homo sapiens | Voltage-gated L-type calcium channel alpha-1C subunit - Rattus norvegicus | Tyrosine-protein kinase FYN - Homo sapiens | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Tyrosine-protein kinase BMX - Homo sapiens | ATP-binding cassette sub-family G member 2 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Fatty acid synthase - Plasmodium falciparum | Serine/threonine-protein kinase AKT - Homo sapiens | Serine/threonine-protein kinase PIM1 - Homo sapiens | Tyrosine-protein kinase SRC - Homo sapiens | Thromboxane-A synthase - Homo sapiens | Cyclooxygenase-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Androgen Receptor - Rattus norvegicus | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | DNA polymerase beta - Homo sapiens | Arachidonate 15-lipoxygenase - Oryctolagus cuniculus | Protein kinase Pfmrk - Plasmodium falciparum | Death-associated protein kinase 1 - Homo sapiens |Org= Rattus norvegicus | Callosobruchus chinensis | Tribolium castaneum | Rhyzopertha dominica | Sitophilus oryzae | Achaea janata | Plasmodium falciparum | Human immunodeficiency virus 1 | Hepatitis C virus | Cavia porcellus | Saccharomyces cerevisiae | Escherichia coli | Trypanosoma brucei brucei | Giardia intestinalis | Plasmodium berghei | Leishmania donovani |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Breast Carcinoma|Ductal Adenocarcinoma|Cervical Cancer|Cervical Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Skin Cancer|Skin Epidermoid Carcinoma|Gen=Protein Tyrosine Kinase |
3D viewer |
Pubchem |
3KGU 3KGT 1QKM 1X7J |
5280961 |
446-72-0 |
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O |
|
270.24000 |
C15H10O5 |
2.14 |
2 |
3 |
87.00 |
1.0 |
20 |
3 |
Genistein, a phytoestrogen found in soy products, is a highly specific inhibitor of protein tyrosine kinase (PTK) which blocks the mitogenic effect mediated by EGF on NIH-3T3 cells with IC50 of 12?M or by insulin with IC50 of 19 ?M. |
N/A |
| Resveratrol |
FDA approved |
Vitis vinifera|Polygonum cuspidatum|Veratrum grandiflorum|Eucalyptus wandoo|Sinularia depressa|Daemonorops draco|Semen phaseoli|Picea glehnii|Rumex maritimus|Dryopteris crassirhizoma|Pleuropterus ciliinervis|Veratrum nigrum var. ussuriense|Gnetum latifolium|Hedysarum connatum|Humulus lupulus|Pseudoalteromonas luteoviolacea|Cassia dentata|Trifolium dubium|Sphaerella laricina|Hypericum laricifolium|Morus alba|Testa arachidis hypogaeae|Artemisia assoana|Adansonia grandidieri|Oroxylum indicum|Caragana tibetica|Aconitum seravschanicum|Dumortiera hirsuta|Ampelopsis glandulosa var. brevipedunculata|Rheum wittrocki|Senecio subdentatus|Streptomyces avermitilis|Fallopia multiflora|Arachis hypogaea|Drechslera avenae|Swertia franchetiana|Bassia muricata|Rheum coreanum|Cudrania javanensis|Sabina sargentii|Adiantum lunulatum|Rheum officinale|Nasutitermes ephratae|Bishovia boliviensis|Rheum palmatum|Vitis spp.|Acacia adunca|Chaenomeles sinensis|Rheum tanguticum|Veratrum album|Vatica rassak|Onobrychis arenaria|Caragana aurantiaca|Rubia cordifolia|Annona cornifolia|Eucalyptus melliodora|Smilax china|Broussonetia papyrifera|Vitis spp|Peltostigma guatemalense|Marrubium anisodon|Lavandula vera|Smilax glabra|Rauvolfia vomitoria|Biancaea decapetala|Ampelopsis brevipedunculata|Wikstroemia retusa|Cotyledon secunda|Vigna angularis|Enceliopsis argophylla|Caesalpinia decapetala|Pastinaca sativa|Calostephane divaricata|Vigna umbellata|Anacystis montana|Polygonum multiflorum|Naucleopsis ternstroemiiflora|Salvia syriaca|Vigna umbeuata|Laurencia spectabilis|Dictyopteris australis|Cytophaga hutchinsoni|Asterospicularia laurae|Scutellaria amoena|Eria mollis|Solanum laxum|Artocarpus dadah|Lepisorus ussuriensis|Amathia pinnata|Gnetum parvifolium|Alstonia spathulata|Gadus morhua callarias|Miliusa velutina|Phoebe pittieri|Aphyllocladus denticulatus|Eriocheir sinensis|Epichloe festucae var. lolii|Blastochloris viridis|Astragalus sempervirens|Dendriopoterium menendezii|Physalis alkekengi|Psychotria stachyoides|Olibanun|Premna odorata|Goniothalamus malayanus|Rivularia firma|Boehmeriae rhizoma et radix|Pinus sibirica|Justicia secunda|Aster sedifolius|Leathesia nana|Polygoni cuspidati rhizoma et radix|Ipomoea digitata|Neobalanocarpus heimii|Isaria fumosorosea|Zanthoxylum tetraspermum|Ampelopsis japonica|Aconitum tasiromontanum|Viguiera incana|Dodonaea viscosa|Smilax menispermoidea|Flacourtia jangomas|Dysoxylum cumingianum|Belamcandae rhizome|Radix cudraniae|Teucrium yemense|Helipterum roseum|Mori fructus|Lysimachia mauritiana|Rattus rattus|Iris domestica|Caulocystis cephalornithos|Vaccinium oxycoccos|Bulla striata| |
Gen=Autophagy|NAD(P)H dehydrogenase [quinone] 1 - Mus musculus | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Survival motor neuron protein - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Cytochrome P450 1A2 - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Cytochrome P450 2C19 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Pyruvate kinase - Leishmania mexicana | Lysine-specific demethylase 4D-like - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Prelamin-A/C - Homo sapiens | Cytochrome P450 19A1 - Homo sapiens | Monoamine oxidase B - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Histone acetyltransferase GCN5 - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens |Org= Plasmodium falciparum|Carbonic anhydrase II - Homo sapiens | Carbonic anhydrase XIV - Homo sapiens | Carbonic anhydrase I - Homo sapiens | Carbonic anhydrase 15 - Mus musculus | Carbonic anhydrase VA - Homo sapiens | Carbonic anhydrase VB - Homo sapiens | Carbonic anhydrase IV - Homo sapiens | Carbonic anhydrase III - Homo sapiens | Carbonic anhydrase XII - Homo sapiens | Carbonic anhydrase XIII - Homo sapiens | Carbonic anhydrase VI - Homo sapiens | Carbonic anhydrase VII - Homo sapiens | Carbonic anhydrase IX - Homo sapiens| Chromobox protein homolog 1 - Homo sapiens | NAD-dependent deacetylase sirtuin 1 - Homo sapiens | Prenyltransferase homolog - Streptomyces coelicolor A3 | Estrogen receptor beta - Homo sapiens | Beta amyloid A4 protein - Homo sapiens | P-glycoprotein 1 - Homo sapiens | Protein-tyrosine phosphatase 1B - Homo sapiens | Cyclooxygenase-1 - Homo sapiens | Tyrosine-protein kinase LCK - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | 78 kDa glucose-regulated protein - Homo sapiens | Cyclooxygenase-1 - Ovis aries | Tyrosinase - Agaricus bisporus | Cyclooxygenase-2 - Homo sapiens | Transient receptor potential cation channel subfamily A member 1 - Rattus norvegicus | Androgen Receptor - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Regulator of G-protein signaling 4 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | M-phase phosphoprotein 8 - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Zinc finger protein mex-5 - Caenorhabditis elegans | Aryl hydrocarbon receptor - Oryctolagus cuniculus | Monoamine oxidase A - Homo sapiens | Niemann-Pick C1 protein - Homo sapiens | Serine/threonine-protein kinase mTOR - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Ornithine decarboxylase - Homo sapiens | Apoptosis regulator Bcl-X - Homo sapiens | Alpha-1d adrenergic receptor - Rattus norvegicus | Arachidonate 15-lipoxygenase, type II - Homo sapiens | Leukotriene A4 hydrolase - Homo sapiens | N1L - Vaccinia virus | Huntingtin - Homo sapiens | M18 aspartyl aminopeptidase - Plasmodium falciparum 3D7 | Norepinephrine transporter - Homo sapiens | Nitric oxide synthase, inducible - Mus musculus | Nuclear receptor ROR-gamma - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Large T antigen - Simian virus 40 | Carbonic anhydrase II - Homo sapiens | Bcr/Abl fusion protein - Homo sapiens | Tyrosinase - Mus musculus | Ras-related protein Rab-9A - Homo sapiens | NAD-dependent deacetylase sirtuin 2 - Homo sapiens | Cytochrome P450 1A1 - Homo sapiens | Cyclooxygenase-2 - Ovis aries | Sucrase-isomaltase - Rattus norvegicus | Tyrosinase - Homo sapiens | Cholinesterase - Equus caballus | Acidic alpha-glucosidase - Rattus norvegicus | Cerebroside-sulfatase - Homo sapiens | Lysosomal alpha-glucosidase - Homo sapiens | FAD-linked sulfhydryl oxidase ALR - Homo sapiens | Peripheral myelin protein 22 - Homo sapiens | Beta-lactamase AmpC - Escherichia coli K-12 | Quinone reductase 2 - Homo sapiens | Bloom syndrome protein - Homo sapiens | Cytochrome P450 1B1 - Homo sapiens | Protein kinase C alpha - Homo sapiens | Cathepsin L - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | Canalicular multispecific organic anion transporter 1 - Homo sapiens | Estrogen receptor alpha - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Carbonic anhydrase IX - Homo sapiens | 6-phospho-1-fructokinase - Trypanosoma brucei |Org= Filobasidiella neoformans | Pseudomonas aeruginosa PAO1 | Streptococcus mutans | Plasmodium falciparum | Candida albicans SC5314 | Helicobacter pylori | Neofusicoccum luteum | Human immunodeficiency virus 1 | Chromobacterium violaceum | Neisseria gonorrhoeae | Candida albicans | Streptococcus sanguinis | Staphylococcus aureus | Tetrahymena thermophila | Saccharomyces cerevisiae | Agrobacterium tumefaciens | Pseudomonas aeruginosa | Leishmania donovani |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Non-Melanoma Skin Cancers|Fibroblast|Non-small Cell Lung Cancer|Lewis Lung carcinoma |Gen=Autophagy |
3D viewer |
Pubchem |
4JAZ 1DVS 4QOH 4QOJ |
445154 |
501-36-0 |
C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O |
LUKBXSAWLPMMSZ-UHFFFAOYSA-N |
228.24000 |
C14H12O3 |
3.09 |
0 |
3 |
60.70 |
2.0 |
17 |
2 |
Resveratrol has a wide spectrum of targets including cyclooxygenases(i.e. COX, IC50=1.1 ?M), lipooxygenases?LOX, IC50=2.7 ?M?, kinases, sirtuins and other proteins. It has anti-cancer, anti-inflammatory, blood-sugar-lowering and other beneficial cardiovascular effects. |
N/A |
| Cyclosporine |
FDA approved |
Mycale hentscheli |
Gen=phosphatase,Immunology & Inflammation related|immunosuppressant |
Dis=Acute Myeloid Leukemia|Acute Myeloid Leukemia|Gen=Others |
3D viewer |
Pubchem |
4Y0Z 1YLC 1YLD 1WZ5 |
6435893 |
79217-60-0 |
CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C |
PMATZTZNYRCHOR-CGLBZJNRSA-N |
1202.61000 |
C62H111N11O12 |
4.333 |
11 |
5 |
279.00 |
15.0 |
85 |
|
Cyclosporine is a calcineurin phosphatase pathway inhibitor, used as an immunosuppressant drug to prevent rejection in organ transplantation. |
cyclosporin A|cyclosporine|Ciclosporin|59865-13-3|Ciclosporine|Neoral|Cyclosporine A|Cyclosporin|Ciclosporina|Ciclosporinum|Sandimmune|Equoral|Neoplanta|Sandimmun|Sang-35|Gengraf|Sandimmun Neoral|UNII-83HN0GTJ6D|Antibiotic S 7481F1|Consupren|Restasis|Ramihyphin A|SangCyA|83HN0GTJ6D|MLS001333756|CHEBI:4031|CSA|S-Neoral|Cipol N|Sigmasporin Microoral|Sang 35|DSSTox_CID_365|Ciclosporine [INN-French]|Ciclosporinum [INN-Latin]|Ciclosporina [INN-Spanish]|Ciclosporin (Ciclosporin A)|DSSTox_RID_75541|DSSTox_GSID_20365|SDZ-OXL 400|OL 27-400|CCRIS 1590|HSDB 6881|Abrammune|Imusporin|Seciera|Vekacia|DRG-0275|Papilock Mini|Arpimune ME|Zinograf ME|Sandimmune Neoral|C62H111N11O12|NSC 290193|Ciclosporina Germed|S 7481F1|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone|CYA|SMR000058578|Cicloral (antibiotic)|Debio088|79217-60-0|Cyclosporine [USAN:USP]|Sigmasporin|Cyclokat|Mitogard|Papilock|Pulminiq|Zyclorin|CicloMulsion|CyclosporinA|Ciclosporin DT|Consupren S|NSC290193|Modusik-A|NeuroSTAT|1cyn|2wfj|4jjm|Cipol-N|NCGC00016890-01|Neoral, Sandimmune|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,2|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19|(R-(R*,R*-(E)))-Cyclic(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-3-hydroxy-N,4-dimethyl-L-2-amino-6-octenoyl-L-alpha-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl)|Cyclo(((E)-(2S,3R,4R)-3-hydroxy-4-methyl-2-(methylamino)-6-octenoyl)-L-2-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl)|Cyclo(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-((3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methylleucyl)|Cyclo[[(E)-(2S,3R,4R)-3-hydroxy-4-methyl-2-(methylamino)-6-octenoyl]-L-2-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl]|Prestwick_731|Ciclosporin [INN]|CAS-59865-13-3|CsA & IFN.alpha.|1c5f|2z6w|Prestwick2_000435|Prestwick3_000435|CHEMBL160|Sang-2000|AC1NR4C4|SCHEMBL3491|SCHEMBL4442|Nova-22007|Ikervis (opthalmic solution)|BSPBio_000450|Cyclosporin A & IFN.alpha.|MLS000028376|MLS002153454|MLS002207033|Verkazia (opthalmic solution)|BPBio1_000496|GTPL1024|DTXSID0020365|CHEBI:92233|AOB2581|ATH-002|OLO-400|CB-01-09 MMX|MolPort-006-705-994|PMATZTZNYRCHOR-CGLBZJNRSA-N|HMS1569G12|HMS2089A09|HMS2096G12|HMS2230M14|HMS3713G12|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone|(R-[R*,R*-(E)])-Cyclic(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-3-hydroxy-N,4-dimethyl-L-2-amino-6-octenoyl-L-alpha-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl)|1,11-cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(E)-(2S,3R,4R)-2-amino-3-hydroxy-N,4-dimethyloct-6-enoyl-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucine]|30-Ethyl-33-(1-hydroxy-2-methyl-hex-4-enyl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone|30-ethyl-33-[(4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone|30-ethyl-33-[(4E)-1-hydroxy-2-methylhex-4-en-1-yl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone|Cyclo(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-((3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl)-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methylleucyl)|Tox21_110667|Tox21_301849|BDBM50022815|DE-076|MFCD00274558|ST-603|Cyclosporin A, >=98.5% (TLC)|AKOS015969287|AKOS015994720|Tox21_110667_1|CCG-208184|DB00091|EBD2126862|KS-1257|NCGC00093704-12|NCGC00164258-01|NCGC00164258-02|NCGC00164258-03|NCGC00255232-01|AT-12519|C042|OL-27400|SBI-0050230.P003|AB0090560|5946-EP0930075A1|5946-EP2289877A1|5946-EP2292601A1|5946-EP2292602A1|5946-EP2292603A1|5946-EP2292604A2|5946-EP2292618A1|5946-EP2293650A1|5946-EP2298737A1|5946-EP2298739A1|5946-EP2298740A1|5946-EP2298741A1|5946-EP2298771A2|5946-EP2301920A1|5946-EP2301940A1|5946-EP2308843A1|5946-EP2308861A1|J10181|J90049|865C133|Cyclosporin A, VETRANAL(TM), analytical standard|SR-01000780563|BMT-ABA-SAR-MLE-VAL-MLE-ALA-ALA-MLE-MLE-MVA|BMT-ABA-SAR-MLE-VAL-MLE-ALA-DAL-MLE-MLE-MVA|Q-200913|SR-01000780563-3|BRD-K03222093-001-01-8|BRD-K13533483-001-03-0|Ciclosporin, European Pharmacopoeia (EP) Reference Standard|Cyclosporin A, from Tolypocladium inflatum, >=95% (HPLC), solid|Cyclosporine, United States Pharmacopeia (USP) Reference Standard|Ciclosporin for system suitability, European Pharmacopoeia (EP) Reference Standard|Cyclosporin A, from Tolypocladium inflatum, BioReagent, for molecular biology, >=95%|Cyclosporine, Pharmaceutical Secondary Standard; Certified Reference Material|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,1|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone|(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone|104250-72-8|223528-56-1|30-Ethyl-33-((E)-1-hydroxy-2-methyl-hex-4-enyl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,28-octamethyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone|56645-58-0| |
| Adenosine |
FDA approved |
Isatis indigotica|Streptomyces herbaceus am-3279|Boschniakia rossica| |
Gen=Adenosine Receptor|Gen=DNA/RNA Synthesis|Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Geminin - Homo sapiens | Adenosylhomocysteinase - Mus musculus | Hepatitis C virus NS5B RNA-dependent RNA polymerase - Hepatitis C virus | Dipeptidyl peptidase IV - Homo sapiens | Adenylate cyclase type V - Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens |Org= Human herpesvirus 1 | Human herpesvirus 2 | Moloney murine leukemia virus | Human herpesvirus 3 | Vaccinia virus | Trichomonas vaginalis | Cowpox virus | Human herpesvirus 1 strain KOS | Vaccinia virus Copenhagen | Macacine herpesvirus 1 | African swine fever virus | unidentified influenza virus | Human herpesvirus 5|Org=Oryctolagus cuniculus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Gen=GPCR & G Protein |
3D viewer |
Pubchem |
4LCA 4LC4 3KW2 3UAY |
60961 |
58-61-7 |
C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O |
OIRDTQYFTABQOQ-UHFFFAOYSA-N |
267.24000 |
C10H13N5O4 |
-1.881 |
4 |
4 |
140.00 |
2.0 |
19 |
3 |
Adenosine is a nucleoside composed of a molecule of adenine attached to a ribose sugar molecule (ribofuranose) moiety via a ?-N9-glycosidic bond. |
N/A |
| Vidarabine |
FDA approved |
Isatis indigotica|Streptomyces herbaceus am-3279|Boschniakia rossica| |
Gen=DNA/RNA Synthesis|Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Geminin - Homo sapiens | Adenosylhomocysteinase - Mus musculus | Hepatitis C virus NS5B RNA-dependent RNA polymerase - Hepatitis C virus | Dipeptidyl peptidase IV - Homo sapiens | Adenylate cyclase type V - Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens |Org= Human herpesvirus 1 | Human herpesvirus 2 | Moloney murine leukemia virus | Human herpesvirus 3 | Vaccinia virus | Trichomonas vaginalis | Cowpox virus | Human herpesvirus 1 strain KOS | Vaccinia virus Copenhagen | Macacine herpesvirus 1 | African swine fever virus | unidentified influenza virus | Human herpesvirus 5|Org=Oryctolagus cuniculus |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Hepatobiliary Cancer|Hepatocellular Carcinoma|Gen=DNA Damage |
3D viewer |
Pubchem |
4JV0 4YR2 5KFD 4KLS |
21704 |
5536-17-4 |
C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O |
OIRDTQYFTABQOQ-UHFFFAOYSA-N |
267.24000 |
C10H13N5O4 |
-1.881 |
4 |
4 |
140.00 |
2.0 |
19 |
3 |
Vidarabine is an antiviral drug by interfering with the synthesis of viral DNA, used to treat herpes simplex and varicella zoster viruses. |
N/A |
| Artesunate |
FDA approved |
Artemisia annua|Artemisia apiacea |
Path=KDR pathway|VEGFA pathway|Gen=STAT|antiparasitic|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus |Org= Plasmodium berghei | Plasmodium falciparum | Plasmodium falciparum (isolate K1 / Thailand) | Plasmodium falciparum NF54 | Plasmodium vinckei petteri | Toxoplasma gondii RH | Plasmodium vivax | Plasmodium falciparum 3D7 | Trypanosoma brucei brucei | Plasmodium malariae | Plasmodium yoelii nigeriensis | Plasmodium yoelii | Fasciola hepatica | Human herpesvirus 5 strain AD169 | Schistosoma mansoni | Echinococcus multilocularis | Schistosoma japonicum|Geminin - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Huntingtin - Homo sapiens |Org= Plasmodium falciparum | Trypanosoma brucei rhodesiense | Leishmania donovani | Trypanosoma cruzi |
Dis=Acute Myeloid Leukemia|Acute Myeloid Leukemia|Cervical Cancer|Cervical Adenocarcinoma|Chronic Myelogenous Leukemia|Ovarian Cancer|Epithelial Ovarian Cancer |Uterine Neoplasms|Choriocarcinoma|Gen=JAK/STAT |
3D viewer |
Pubchem |
|
6917864 |
88495-63-0 |
CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC(=O)CCC(=O)O)C |
FIHJKUPKCHIPAT-AHIGJZGOSA-N |
384.42000 |
C19H28O8 |
1.845 |
7 |
0 |
101.00 |
5.0 |
27 |
3 |
Artesunate is a part of the artemisinin group of agents with an IC50 of < 5 ?M for small cell lung carcinoma cell line H69. It is a potential inhibitor of STAT-3 and exhibits selective cytotoxicity of cancer cells over normal cells in vitro A potent inhibitor of EXP1. |
WR-256283 |
| Cyclosporin A |
FDA approved |
Mycale hentscheli |
Gen=Immunology & Inflammation related|immunosuppressant |
Dis=Acute Myeloid Leukemia|Acute Myeloid Leukemia|Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
1MIK |
5284373 |
59865-13-3 |
CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C |
PMATZTZNYRCHOR-IMVLJIQESA-N |
1202.61000 |
C62H111N11O12 |
4.333 |
11 |
5 |
279.00 |
15.0 |
85 |
|
Cyclosporin A is an immunosuppressive agent, binds to the cyclophilin and then inhibits calcineurin with IC50 of 7 nM in a cell-free assay, widely used in organ transplantation to prevent rejection. |
Cyclosporine A |
| Dihydroartemisinin (DHA) |
FDA approved |
Artemisia annua|Artemisia apiacea |
Path=MAPK14 pathway|CASP3 pathway|P-glycoprotein 1 - Homo sapiens |Org= Plasmodium falciparum 3D7 | Plasmodium falciparum|Peripheral myelin protein 22 - Rattus norvegicus | Cytochrome P450 3A4 - Homo sapiens | Huntingtin - Homo sapiens | Cellular tumor antigen p53 - Homo sapiens | Geminin - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | 78 kDa glucose-regulated protein - Homo sapiens | Survival motor neuron protein - Homo sapiens |Org= Plasmodium falciparum |
Dis=Acute Lymphoblastic Leukemia|Acute Lymphoblastic Leukemia|Non-small Cell Lung Cancer|Lung Adenocarcinoma|Non-small Cell Lung Cancer|Gen=Others |
3D viewer |
Pubchem |
|
3000518 |
71939-50-9 |
CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)O)C |
|
284.35000 |
C15H24O5 |
1.621 |
4 |
0 |
57.20 |
0.0 |
20 |
3 |
Dihydroartemisinin (DHA) is a semi-synthetic derivative of artemisinin and isolated from the traditional Chinese herb Artemisia annua. |
N/A |
| Silibinin |
FDA approved |
Silybum marianum|Lycium chinense| |
Path=ERBB2 pathway|TP53 pathway|MYC pathway|SLC2A4 pathway|AKT1 pathway|TBC1D4 pathway|CASP3 pathway|LDHA pathway|PSA pathway|N/A|BCL2L1 pathway|MAPK14 pathway|MMP9 pathway|JUN pathway|MAP2K1 pathway|MAPK1 pathway|MAPK3 pathway|MAPK8 pathway|RAF1 pathway|CYCS pathway|EGFR pathway|IGF1R pathway|PTK2 pathway|VEGFA pathway|BID pathway|BIRC5 pathway|CASP8 pathway|CASP9 pathway|CFLAR pathway|TNFRSF10C pathway|DDIT3 pathway|TNFRSF10B pathway|FOS pathway|JUND pathway|MAPK9 pathway|MMP2 pathway|NFKB1 pathway|NFKB2 pathway|PLAU pathway|EIF4G1 pathway|HIF1A pathway|MTOR pathway|RPS6 pathway|RPS6KB2 pathway|STAT3 pathway|SPDEF pathway|CCND1 pathway|MCL1 pathway|EIF2A pathway|PARP1 pathway|Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | DNA polymerase iota - Homo sapiens | DNA polymerase eta - Homo sapiens | Large T antigen - Simian virus 40 | Geminin - Homo sapiens | Thioredoxin reductase 1, cytoplasmic - Rattus norvegicus |Org= Plasmodium falciparum|Tyrosinase - Agaricus bisporus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Solute carrier organic anion transporter family member 2B1 - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens |Org= Hepatitis C virus|Acetylcholinesterase - Electrophorus electricus | Cholinesterase - Equus caballus | Tyrosinase - Agaricus bisporus | Cytochrome P450 3A4 - Homo sapiens | Sphingomyelin phosphodiesterase - Homo sapiens | Carbonic anhydrase IX - Homo sapiens | Androgen Receptor - Homo sapiens | Carbonic anhydrase XIV - Homo sapiens | Xanthine dehydrogenase - Bos taurus | DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Hypoxia-inducible factor 1 alpha - Homo sapiens | Thyroid hormone receptor beta-1 - Homo sapiens | Canalicular multispecific organic anion transporter 1 - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Carbonic anhydrase I - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Prelamin-A/C - Homo sapiens | Thrombin - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Peripheral myelin protein 22 - Rattus norvegicus | Microtubule-associated protein tau - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Carbonic anhydrase II - Homo sapiens | Thyroid stimulating hormone receptor - Homo sapiens | Cruzipain - Trypanosoma cruzi | Multidrug resistance-associated protein 1 - Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein - Homo sapiens | Lysosomal alpha-glucosidase - Homo sapiens | Arachidonate 15-lipoxygenase - Homo sapiens | Carbonic anhydrase VA - Homo sapiens | Xanthine dehydrogenase - Homo sapiens | Carbonic anhydrase VB - Homo sapiens | Carbonic anhydrase VII - Homo sapiens | Carbonic anhydrase XIII - Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 - Homo sapiens | Peroxisome proliferator-activated receptor delta - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | Carbonic anhydrase III - Homo sapiens | Carbonic anhydrase 15 - Mus musculus | Interleukin-8 - Homo sapiens | P-glycoprotein 3 - Mus musculus | Nuclear receptor subfamily 1 group I member 2 - Rattus norvegicus | Xanthine dehydrogenase/oxidase - Rattus norvegicus | Bromodomain adjacent to zinc finger domain protein 2B - Homo sapiens | Carbonic anhydrase IV - Homo sapiens | Carbonic anhydrase XII - Homo sapiens | Carbonic anhydrase VI - Homo sapiens |Org= Mus musculus | Staphylococcus aureus | Pseudomonas aeruginosa | Plasmodium falciparum | Proteus mirabilis |
Dis=Breast Cancer|Breast Adenocarcinoma|Ductal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Breast Cancer|Central Nervous System Cancers|Glioblastoma|Non-small Cell Lung Cancer|Lung Epithelial Carcinoma|Gen=Others |
3D viewer |
Pubchem |
|
31553 |
22888-70-6 |
COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O |
|
482.44000 |
C25H22O10 |
2.592 |
5 |
5 |
155.00 |
4.0 |
35 |
5 |
Silibinin, the main flavonoid extracted from the milk thistle Silybum marianum, displays hepatoprotective properties in acute and chronic liver injury. |
Silybin |
| Xanthohumol |
anticancer |
Humulus lupulus|Abelia chinensis|Hoffmannia strigillosa|Artemisia dentata|Vellozia nanuzae|Faramea salicifolia|Dendronephthya griffini|Piper regnellii|Buddleja cordata|Prorocentrum micans|Gymnocalycium schickendantzii|Rapanea lancifolia|Theonella conica|Lythrum salicaria|Syncarpia hillii|Centaurea maculosa|Latrunculia magnifica|Rhinella marina|Asimina parviflora|Helichrysum tenuifolium|Morella rubra|Lemaireocereus griseus|Ephedra sinica|Syzygium polycephaloides|Erysimum leptophyllum|Pteridium esculentum|Myxococcus stipitatus|Onopordum acanthium|Atalantia racemosa|Sophora flavescens|Lemaireocereus longispinus|Baccharis neglecta|Millettia erythrocalyx|Atraphaxis spinosa|Xenoacremonium recifei|Aplophyllum alberti-regelii|Negombata magnifica|Cordia leucocephala|Conus mus|Dolabella californica|Scorzonera pseudodivaricata|Buphane fischeri|Crambe tatarica|Simarouba glauca|Monsonia senegalensis|Shigella dysenteriae|Embelia schimperi|Alkanna cappadocica|Clerodendrum bungei|Diospyros eriantha|Plathymenia reticulata|Chondrodendron tomentosum|Lycogala epidendrum|Epilobium hirsutum|Haplophyllum obtusifolium|Ononis vaginalis|Hypericum styphelioides|Eria anomala|Tricholoma columbetta|Pteris semipinnata|Euphorbia nematocypha|Embelia parviflora|Pancratium sickenbergeri|Juniperus rigida var. conferta|Fritillaria ningguoensis|Erythrina melanacantha|Vernonia fagifolia|Esenbeckia leiocarpa|Siphonaria capensis|Planchonia grandis|Diospyros assimilis|Salvia hispanica|Mycobacterium leprae |
Path=IL6 pathway|ALPL pathway|PSEN2 pathway|VWF pathway|MKI67 pathway|BAX pathway|BCL2 pathway|BCL2L1 pathway|PARP1 pathway|CASP3 pathway|CASP7 pathway|CASP8 pathway|CASP9 pathway|Gen=COX|Protein kinase C alpha - Homo sapiens | Arachidonate 5-lipoxygenase - Homo sapiens | Prostaglandin E synthase - Homo sapiens | Lymphocyte antigen 96 - Homo sapiens | 3-phosphoinositide dependent protein kinase-1 - Homo sapiens |Org= Human immunodeficiency virus 1 | Plasmodium falciparum |
Dis=Acute Myeloid Leukemia|Acute Promyelocytic Leukemia|Bone Cancer|Osteosarcoma|Breast Cancer|Breast Adenocarcinoma|Ductal Adenocarcinoma|Central Nervous System Cancers|Neruoblastoma|Neuroblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Prostate Cancer|Prostate Adenocarcinoma|prostate Carcinoma|Soft Tissue Sarcoma|Sarcoma|Gen=Metabolism |
3D viewer |
Pubchem |
|
639665 |
6754-58-1 |
CC(=CCC1=C(C=C(C(=C1O)C(=O)C=CC2=CC=C(C=C2)O)OC)O)C |
|
354.40000 |
C21H22O5 |
4.816 |
2 |
3 |
87.00 |
6.0 |
26 |
2 |
Xanthohumol, a prenylated chalcone from hop, inhibits COX-1 and COX-2 activity and shows chemopreventive effects. Phase 1. |
N/A |
| Gallic acid |
FDA approved |
Terminalia arjuna|Punica granatum|Diospyros lotus|Phyllanthus emblica|Rhynchosia volubilis|Caesalpinia ferrea| |
Path=CASP3 pathway|BCL2 pathway|BAX pathway|Gen=ROS |
Dis=Acute Lymphoblastic Leukemia|murine lymphoblastoid cell|Central Nervous System Cancers|Glioblastoma|Colorectal Cancer|Colorectal Adenocarcinoma|Hepatobiliary Cancer|Hepatocellular Carcinoma|Kidney Cancer|kidney cancer|Renal Cell Adenocarcinoma|Melanoma|malignant melanoma|Murine Melanoma|Non-Melanoma Skin Cancers|Skin Carcinoma|Non-small Cell Lung Cancer|large cell carcinoma|Ovarian Cancer|Epithelial Ovarian Cancer |Gen=Immunology & Inflammation |
3D viewer |
Pubchem |
4Z5X 4IC0 3WKU 3WPM |
370 |
149-91-7 |
C1=C(C=C(C(=C1O)O)O)C(=O)O |
LNTHITQWFMADLM-UHFFFAOYSA-N |
170.12000 |
C7H6O5 |
0.733 |
1 |
3 |
98.00 |
1.0 |
12 |
|
Gallic acid, known as powerful antioxidants, is an organic acid found in a variety of foods and herbs. |
3,4,5-Trihydroxybenzoic acid, Gallate, Benzoic acid |
