| Apocynin |
immunology inflammation |
Allium cepa|Bursera tonkinensis|Stellaria dichotoma|Oroxylum indicum|Phebalium clavatum|Artemisia giraldii|Croton urucurana|Anastatica hierochuntica|Artemisia latifolia|Ventilago madraspatana|Trichilia catigua|Pellina semitubulosa|Centaurea ferox|Hortonia floribunda|Dendrocalamus strictus|Conocarpus erectus|Sorbaria arborea|Cynanchum wilfordii|Vincetoxicum atratum|Hedysarum coronarium|Thalictrum podocarpum|Helichrysum splendidum|Fabiana imbricata|Meliosma wightii|Penicillium cyclopium|Scandix pecten-veneris|Lethariella sinensis|Radix cynanchi paniculati|Unona lawii|Russula lepida|Uruparia lanosa|Violsse herba|Turbina corymbosa|Campanula hypopolia|Chasmanthera dependens|Radix cynanchi|Pteris cretica|Syzygium levinei|Penicillium expansum|Pinus resinosa|Picrorhizae rhizoma|Phyllanthus tenellus|Diospyros glaucifolia|Hesperocyparis bakeri|Iridis tectori rhizoma|Urginea riparia|Perymenium mendezii|Philadelphus coronarius|Polygala fruticosa|Belamcandae rhizome|Gossypium herbaceum|Crepis czerepanovii|Achillea atrata|Apocyniveneti folium|Paeonia rockii|Pertusaria amara|Gypsophila licentiana hand.-mazz.|Apocynum cannabinum|Dendrobium gibsonii|Cortex moutan|Acacia suaveolens|Hymenoxys grandiflora|Radix bupleuri|Picrorhiza scrophulariiflora|Cordyceps sinensis|Neofusicoccum mangiferae|Picea glauca|Achlys triphylla|Iris sp|Polyporus fomentarius|Indigofera tinctoria|Ceratostigma willmottianum|Cynanchum atratum|Bromelia pinguin|Stereocaulon corticulatum|Imperata cylindrica|Lactuca laciniata|Apocynum androsaemifolium|Randia formosa|Larix lyallii|Iris tectorum|Periplaneta americana|Garcinia ovalifolia|Senecio miser|Isatis tinctoria|Calystegia pubescens|Picrorhiza kurrooa|Polypodium niponicum|Paenibacillus thiaminolyticus|Aconitum liljestrandii|Phragmatobia fuliginosa|Lampranthus sociorum|Pterocarpus macrocarpus|Neopicrorhiza scrophulariiflora|Alcyonium coralloides|Cylindropuntia leptocaulis|Alectoria ochroleuca|Thea sasanqua|Sargentodoxa cuneata|Bulbophyllum protractum|Rubus occidentalis|Dendrobates auratus|Tarchonanthus camphoratus|Zingiber officinale|Axinella polypoides|Metapochonia suchlasporia|Elymnias thryallis|Cypripedium calceolus|Eupatoriastrum nelsonii|Flemingia philippinensis|Artemisia porrecta|Funtumia africana|Iris sp.|Trichoplusia ni|Kielmeyera rubriflora|Nauclea rhynchophylla|Albizia procera|Othonna tagetes|Parmelia amphixanthoides|Harpullia ramiflora|Magnolia fraseri|Maackia floribunda|Betonica grandiflora|Picea engelmannii|Jacobaea othonnae|Corydalis pallida|Huperzia selago|Lupinus pilosus|Melanargia galathea|Dysidea chlorea|Merremia quinquefolia|Helicoon richonis|Millettia pinnata|Hydroclathrus tenuis|Tripteris microcarpa|Marsupella aquatica|Chiloscyphus rivularis|Simaba cuneata|Agave cocui|Sonchus macrocarpus|Thalictrum aquilegiifolium|Phakellia flabellata|Phyllosticta cirsii|Mesembryanthemum tortuosum|Pteris pedata |
Gen=NADPH-oxidase|Geminin - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens |Org= Hamster | Cricetinae gen. sp. |
Dis=Hepatobiliary Cancer|Hepatoma|Gen=Others |
3D viewer |
Pubchem |
3TBC |
2214 |
498-02-2 |
CC(=O)C1=CC(=C(C=C1)O)OC |
DFYRUELUNQRZTB-UHFFFAOYSA-N |
166.17000 |
C9H10O3 |
1.311 |
2 |
1 |
46.50 |
2.0 |
12 |
1 |
Apocynin is a selective NADPH-oxidase inhibitor with IC50 of 10 ?M. |
Acetovanillone |
| 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 |
| Apocynin |
natural product |
Allium cepa|Bursera tonkinensis|Stellaria dichotoma|Oroxylum indicum|Phebalium clavatum|Artemisia giraldii|Croton urucurana|Anastatica hierochuntica|Artemisia latifolia|Ventilago madraspatana|Trichilia catigua|Pellina semitubulosa|Centaurea ferox|Hortonia floribunda|Dendrocalamus strictus|Conocarpus erectus|Sorbaria arborea|Cynanchum wilfordii|Vincetoxicum atratum|Hedysarum coronarium|Thalictrum podocarpum|Helichrysum splendidum|Fabiana imbricata|Meliosma wightii|Penicillium cyclopium|Scandix pecten-veneris|Lethariella sinensis|Radix cynanchi paniculati|Unona lawii|Russula lepida|Uruparia lanosa|Violsse herba|Turbina corymbosa|Campanula hypopolia|Chasmanthera dependens|Radix cynanchi|Pteris cretica|Syzygium levinei|Penicillium expansum|Pinus resinosa|Picrorhizae rhizoma|Phyllanthus tenellus|Diospyros glaucifolia|Hesperocyparis bakeri|Iridis tectori rhizoma|Urginea riparia|Perymenium mendezii|Philadelphus coronarius|Polygala fruticosa|Belamcandae rhizome|Gossypium herbaceum|Crepis czerepanovii|Achillea atrata|Apocyniveneti folium|Paeonia rockii|Pertusaria amara|Gypsophila licentiana hand.-mazz.|Apocynum cannabinum|Dendrobium gibsonii|Cortex moutan|Acacia suaveolens|Hymenoxys grandiflora|Radix bupleuri|Picrorhiza scrophulariiflora|Cordyceps sinensis|Neofusicoccum mangiferae|Picea glauca|Achlys triphylla|Iris sp|Polyporus fomentarius|Indigofera tinctoria|Ceratostigma willmottianum|Cynanchum atratum|Bromelia pinguin|Stereocaulon corticulatum|Imperata cylindrica|Lactuca laciniata|Apocynum androsaemifolium|Randia formosa|Larix lyallii|Iris tectorum|Periplaneta americana|Garcinia ovalifolia|Senecio miser|Isatis tinctoria|Calystegia pubescens|Picrorhiza kurrooa|Polypodium niponicum|Paenibacillus thiaminolyticus|Aconitum liljestrandii|Phragmatobia fuliginosa|Lampranthus sociorum|Pterocarpus macrocarpus|Neopicrorhiza scrophulariiflora|Alcyonium coralloides|Cylindropuntia leptocaulis|Alectoria ochroleuca|Thea sasanqua|Sargentodoxa cuneata|Bulbophyllum protractum|Rubus occidentalis|Dendrobates auratus|Tarchonanthus camphoratus|Zingiber officinale|Axinella polypoides|Metapochonia suchlasporia|Elymnias thryallis|Cypripedium calceolus|Eupatoriastrum nelsonii|Flemingia philippinensis|Artemisia porrecta|Funtumia africana|Iris sp.|Trichoplusia ni|Kielmeyera rubriflora|Nauclea rhynchophylla|Albizia procera|Othonna tagetes|Parmelia amphixanthoides|Harpullia ramiflora|Magnolia fraseri|Maackia floribunda|Betonica grandiflora|Picea engelmannii|Jacobaea othonnae|Corydalis pallida|Huperzia selago|Lupinus pilosus|Melanargia galathea|Dysidea chlorea|Merremia quinquefolia|Helicoon richonis|Millettia pinnata|Hydroclathrus tenuis|Tripteris microcarpa|Marsupella aquatica|Chiloscyphus rivularis|Simaba cuneata|Agave cocui|Sonchus macrocarpus|Thalictrum aquilegiifolium|Phakellia flabellata|Phyllosticta cirsii|Mesembryanthemum tortuosum|Pteris pedata |
Gen=NADPH-oxidase|Geminin - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens |Org= Hamster | Cricetinae gen. sp. |
Dis=Hepatobiliary Cancer|Hepatoma|Gen=Others |
3D viewer |
Pubchem |
3TBC |
2214 |
498-02-2 |
CC(=O)C1=CC(=C(C=C1)O)OC |
DFYRUELUNQRZTB-UHFFFAOYSA |
166.17000 |
C9H10O3 |
1.311 |
2 |
1 |
46.50 |
2.0 |
12 |
1 |
Apocynin is a selective NADPH-oxidase inhibitor with IC50 of 10 ?M. |
Acetovanillone |
| Methylnonylketone |
natural product |
Zingiber officinale | Houttuyniae herba | Momordicae fructus | Radix bupleuri | Curcumae rhizoma | Akebia quinata | Akebia trifoliata | Allium cepa | Angelica acutiloba | Angelica gigas | Angelica sinensis | Aster tataricus | Houttuynia cordata | Capsicum annuum | Vitis vinifera | Curcuma kwangsiensis | Homo sapiens | Curcuma longa | Homo sapiens | Curcuma phaeocaulis | Ardisiae japonicae | Curcuma wenyujin | Magnolia liliflora | Curcuma zedoaria | Saururi herba | Syzygium aromaticum | Rose rugosae flos | Houttuynia cordata | Humulus lupulus | Zanthoxylum planispinum | Caryophylliflos | Kaempferia galanga | Ardisiae japonicae | Arum ternatum thunb | Pinellia ternata | Eucheuma muricatum | Junci medulla | Schisandra chinensis | Hericium erinaceus | Capsici fructus | Terminalia chebula | Crataegus pinnatifida | Ardisiae japonicae herba | Zingiber officinale | Exodermis poria | Phellodendri amurensis cortex | Craibiodendron yunnanese | Houttuynia cordata | Zingiberis rhizoma | Allii fistulost bulbus | Capsella bursa-pastoris | Bulbus allii fistulosi | Morindae officinalis radix | Sclerotium poriae cocos | Ganoderma | Magnolia liliiflora | Zanthoxyli pericarpium | Mahoniae folum |
Gen=Others|Org=Arvicola amphibius | Microtus arvalis | Meloidogyne incognita | Meloidogyne javanica |
Gen=Others |
3D viewer |
Pubchem |
3F5O |
8163 |
112-12-9 |
CCCCCCCCCC(=O)C |
KYWIYKKSMDLRDC-UHFFFAOYSA |
170.29000 |
C11H22O |
3.756 |
1 |
0 |
17.10 |
8.0 |
12 |
0 |
Methylnonylketone, also known as 2-Undecanone and IBI-246, is a natural non-toxic insect repellant compound. |
2-Undecanone, IBI-246 |
| Benzyl isothiocyanate |
natural product |
Lepidium apetalum | Descurainia sophia | Tropaeolum majus | Brassica juncea | Tropaeolum majus | Tropaeolum majus | Lepidium apetalum | Descurainia sophia | Carica papaya | Carica papaya | Brassica juncea | Brassica juncea | Lepidii semen descurainiae semen | Sinapis semen | Allium cepa | Carica papaya |
Gen=Others|Glutathione S-transferase kappa 1 - Homo sapiens | Glutathione S-transferase Mu 1 - Mus musculus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Transient receptor potential cation channel subfamily A member 1 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | P-glycoprotein 1 - Homo sapiens | Vanilloid receptor - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Vitamin D receptor - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | Heat shock protein beta-1 - Homo sapiens | Macrophage migration inhibitory factor - Homo sapiens | Cytochrome P450 2B1 - Rattus norvegicus | Androgen Receptor - Homo sapiens |Org= Sclerotinia sclerotiorum | Meloidogyne javanica |
Gen=Others |
3D viewer |
Pubchem |
6EQW 4OMD 6EQX 6EQV |
2346 |
622-78-6 |
C1=CC=C(C=C1)CN=C=S |
MDKCFLQDBWCQCV-UHFFFAOYSA |
149.21000 |
C8H7NS |
0 |
0 |
0 |
44.40 |
0.0 |
10 |
1 |
Benzyl isothiocyanate (BITC) is an isothiocyanate originally found in cruciferous vegetables that exhibits immunomodulatory, anti-parasitic, antibiotic, antioxidative, anti-atherosclerotic, anti-angiogenic, anti-metastatic, anticancer chemotherapeutic, and chemopreventive activities. |
Benzyl isothiocyanate, Benzoylthiocarbimide, Isothiocyanic Acid Benzoyl Ester |
| 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 |
| (+)-Usniacin |
natural product |
Alectoria ochroleuca|Euonymus alatus|Boenninghausenia sessilicarpa|Centaurea balsamita|Eucomis comosa|Lobaria scrobiculata|Glycosmis macrantha|Ilex pernyi|Allium cepa|Cladonia mitis|Solanum havanense|Helleborus niger|Entada pursaetha|Lichen usnea|Vernonia echioides|Dasyscyphus nidulus|Nemuaron vieillardii|Heliophila longifolia|Ormosia henryi|Ardisia gigantifolia|Vanilla planifolia|Cyclanthera pedata|Rottlera tinctoria|Cucumis prophetarum|Euphorbia thymifolia|Xanthogaleruca luteola|Corsinia coriandrina|Lycopodium clavatum|Hispidella hispanica|Chloranthus henryi|Streptomyces ghanaensis|Bouvardia ternifolia|Scabiosa tschiliensis| |
Gen=Others|Human immunodeficiency virus type 1 integrase - Human immunodeficiency virus 1 | Protein-tyrosine phosphatase 1B - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Leukocyte elastase - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Fructose-1,6-bisphosphatase - Homo sapiens | Cholinesterase - Equus caballus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Fructose-1,6-bisphosphatase - Sus scrofa |Org= Mus musculus | Mycobacterium tuberculosis | Plasmodium falciparum | Plasmodium berghei | Spodoptera littoralis | Plasmodium falciparum (isolate K1 / Thailand) | Influenza A virus | Escherichia coli ATCC 8739|Aldehyde dehydrogenase 1A1 - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Anthrax lethal factor - Bacillus anthracis | Breast cancer type 1 susceptibility protein - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens |Org= Spodoptera littoralis | Staphylococcus aureus | Candida albicans | Mycobacterium smegmatis|Org=Mycobacterium tuberculosis H37Rv |
Dis=Breast Cancer|Ductal Adenocarcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Gen=Others |
3D viewer |
Pubchem |
|
442614 |
7562-61-0 |
CC1=C(C(=C2C(=C1O)C3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C)O |
|
344.32000 |
C18H16O7 |
1.087 |
4 |
3 |
121.00 |
2.0 |
25 |
3 |
(+)-Usniacin is a naturally occurring dibenzofuran derivative found in several lichen species. |
D-Usnic Acid |
| Phloroglucinol |
natural product |
Alpinia blepharocalyx | Acacia arabica | Pteris semipinnata | Rapanea lancifolia | Lemaireocereus griseus | Spatholobus suberectus | Dryopteris crassirhizoma | Hypericum perforatum | Eisenia bicyclis | Spatholobus suberectus | Humulus lupulus | Ecklonia cava | Humulus lupulus | Hoffmannia strigillosa | Artemisia dentata | Buphane fischeri | Salvia hispanica | Scorzonera pseudodivaricata | Syncarpia hillii | Buddleja cordata | Prorocentrum micans | Atalantia racemosa | Fritillaria ningguoensis | Mycobacterium leprae | Diospyros eriantha | Negombata magnifica | Alkanna cappadocica | Xenoacremonium recifei | Ononis vaginalis | Crambe tatarica | Millettia erythrocalyx | Juniperus rigida var. conferta | Homo sapiens | Cystoseira tamariscifolia | Allium cepa |
Tyrosinase - Homo sapiens | DNA polymerase kappa - Homo sapiens | Beta-secretase 1 - Homo sapiens |
|
3D viewer |
Pubchem |
5MG5 4HDK |
359 |
108-73-6 |
C1=C(C=C(C=C1O)O)O |
QCDYQQDYXPDABM-UHFFFAOYSA-N |
126.03000 |
C6H6O3 |
-1.3809 |
0 |
3 |
60.69 |
3.0 |
9 |
1 |
A simplified, colorimetric micromethod for xylose in serum or urine, with phloroglucinol.|Z protein in hepatic uptake and esterification of long-chain fatty acids.|Global control in Pseudomonas fluorescens mediating antibiotic synthesis and suppression of black root rot of tobacco.|Inhibitory effect of acylphloroglucinol derivatives on the replication of vesicular stomatitis virus.|Inhibitory effects of 3-nitro-2,4,6-trihydroxybenzamides on Epstein-Barr virus early antigen induction.|Genetic analysis of the antifungal activity of a soilborne Pseudomonas aureofaciens strain. |
phloroglucinol|108-73-6|Benzene-1,3,5-triol|1,3,5-trihydroxybenzene|1,3,5-benzenetriol|Phloroglucin|Phloroglucine|Spasfon-Lyoc|s-Trihydroxybenzene|5-Hydroxyresorcinol|Benzene-s-triol|3,5-Dihydroxyphenol|Benzene, trihydroxy|sym-Trihydroxybenzene|5-Oxyresorcinol|Dilospan S|Floroglucinol|Floroglucin|Phloroglucinol anhydrous|5-Oxyresorcinolphloroglucin|1,3,5-THB|1,3,5-Trihydroxycyclohexatriene|1,3,5-Triol|Floroglucin Czech|Floroglucinol Czech|Benzene, 1,3,5-trihydroxy-|UNII-DHD7FFG6YS|5-Benzenetriol|NSC 1572|CCRIS 4147|Phloroglucinol (JAN)|DHD7FFG6YS|Phloroglucinol, anhydrous|1,2,5-trihydroxybenzene|EINECS 203-611-2|BRN 1341907|AI3-08848|CHEMBL473159|CHEBI:16204|QCDYQQDYXPDABM-UHFFFAOYSA-N|MFCD00002286|Phloroglucinol, 99+%, anhydrous|NCGC00166270-01|phloroglucinol ts|1,5-Benzenetriol|13X|Dilospan S (TN)|PubChem2603|Phloroglucinol BAN|1,3,5-benzenetrioe|1,5-Trihydroxybenzene|1,5-Triol|AC1Q1GOU|Benzene,3,5-trihydroxy-|WLN: QR CQ EQ|1,3,5-trihydroxylbenzene|1,3,5-trihydroxy benzene|1,3,5-trihydroxy-benzene|1,3, 5-Trihydroxybenzene|SCHEMBL26311|1,5-Trihydroxycyclohexatriene|4-06-00-07361 (Beilstein Handbook Reference)|KSC174Q3J|Phloroglucinol, p.a., 99%|or cyclohexane-1,3,5-trione|AC1L192D|DTXSID9048354|CTK0H4834|KS-00000VUQ|NSC1572|MolPort-000-871-966|ZINC391883|ACT13446|NSC-1572|ANW-15974|BBL018701|BDBM50249069|STL146346|phloroglucinol (1,3,5-benzenetriol)|Phloroglucinol, >=99.0% (HPLC)|AKOS000119851|AM84333|AS04650|DB12944|MCULE-5869131240|RP19670|RTR-001989|TRA0078596|1,3,5-Benzenetriol (ACD/Name 4.0)|NCGC00166270-02|AC-10081|AJ-21154|AN-22523|BC200250|CJ-03532|SC-00309|ZB012097|AB1004109|LS-105905|TL8000285|TR-001989|FT-0606511|P0249|P1376|ST50214381|A-8565|C02183|D00152|A801919|I04-0078|Q-200070|Phloroglucinol, plant cell culture tested, BioReagent|F0001-0177|Phloroglucinol, Used to detect the presence of wood fiber.|InChI=1/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9|1,3,5-Trihydroxybenzene; 1,3,5-Trihydroxybenzene anhydrous; 1,3,5-THB|Phloroglucinol (anhydrous), European Pharmacopoeia (EP) Reference Standard| |
| Spiraeoside |
natural product |
Allium ascalonicum | Euonymus japonicus | Lawsonia inermis | Allium ascalonicum | Euonymus japonicus | Hibiscus mutabilis | Celastrus orbiculatus | Geranium wilfordii maxim | Farfarae flos | Allium cepa | Crataegus pinnatifida | Grataegus pinnatifida | Hibiscus mutabilis | Celastrus orbiculatus |
DNA-(apurinic or apyrimidinic site) lyase - Homo sapiens | Tyrosinase - Agaricus bisporus | Lysosomal alpha-glucosidase - Homo sapiens | Plasminogen - Homo sapiens | Aldose reductase - Homo sapiens |Org= Dengue virus | Danio rerio |
Org=Dengue virus | Danio rerio |
3D viewer |
Pubchem |
|
5320844 |
20229-56-5 |
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O |
OIUBYZLTFSLSBY-HMGRVEAOSA-N |
464.10000 |
C21H20O12 |
-4.5481 |
7 |
8 |
206.60 |
12.0 |
33 |
4 |
Absorption and disposition kinetics of the dietary antioxidant quercetin in man.|Absorption and excretion of conjugated flavonols, including quercetin-4'-O-beta-glucoside and isorhamnetin-4'-O-beta-glucoside by human volunteers after the consumption of onions.|Cellular uptake of dietary flavonoid quercetin 4'-beta-glucoside by sodium-dependent glucose transporter SGLT1.|Quercetin glucosides are completely hydrolyzed in ileostomy patients before absorption.|Determination of flavonol metabolites in plasma and tissues of rats by HPLC-radiocounting and tandem mass spectrometry following oral ingestion of [2-(14)C]quercetin-4'-glucoside.|Absorption of quercetin-3-glucoside and quercetin-4'-glucoside in the rat small intestine: the role of lactase phlorizin hydrolase and the sodium-dependent glucose transporter. |
Spiraeoside|Spiraein|20229-56-5|Spiraeosid|Spiraein (Acacia)|Quercetin 4'-O-glucoside|Quercetin 4'-glucoside|Quercetin-4'-glucoside|UNII-K2B74751XI|EINECS 243-614-6|CHEMBL402947|CHEBI:75839|K2B74751XI|quercetin 4'-O-beta-D-glucopyranoside|2-(4-(beta-D-Glucopyranosyloxy)-3-hydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one|4H-1-Benzopyran-4-one, 2-(4-(beta-D-glucopyranosyloxy)-3-hydroxyphenyl)-3,5,7-trihydroxy-|Spireoside|4H-1-Benzopyran-4-one, 2-4-(beta-D-glucopyranosyloxy)-3-hydroxyphenyl-3,5,7-trihydroxy-|AC1NSZXI|Quercetin 4'-b-D-glucoside|Spireoside (6CI,7CI,8CI)|SCHEMBL1155660|Spiraeoside, analytical standard|CTK8G3187|DTXSID00174078|MolPort-006-069-272|OIUBYZLTFSLSBY-HMGRVEAOSA-N|Quercetin 4'-O-beta-D-glucoside|ZINC4349687|BDBM50362884|AKOS025146959|API0004223|MCULE-3523271321|NCGC00163625-01|LS-39680|SC-88040|FT-0645061|Quercetin 4 inverted exclamation marka-glucoside|229S565|J-013135|Quercetin 4 inverted exclamation marka-O-|A-D-glucopyranoside|2-hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl beta-D-glucopyranoside|3,3 inverted exclamation marka,4 inverted exclamation marka,5,7-Pentahydroxyflavone 4 inverted exclamation marka-glucoside|3,5,7-trihydroxy-2-(3-hydroxy-4-{(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yloxy}phenyl)-4H-chromen-4-one|3,5,7-trihydroxy-2-3-hydroxy-4-(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yloxyphenylchromen-4-one|4H-1-Benzopyran-4-one, 2-4-(.beta.-D-glucopyranosyloxy)-3-hydroxyphenyl-3,5,7-trihydroxy-| |
| Quercetin-3,4'-Di-O-Glucoside |
natural product |
Allium ascalonicum | Hibiscus rosa-sinensis | Allium cepa | Allium ascalonicum | Hibiscus rosa-sinensis | Allium cepa |
Org=Dengue virus |
Org=Dengue virus |
3D viewer |
Pubchem |
|
11215769 |
No Cas |
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O |
RPVIQWDFJPYNJM-KBGHMCAJSA-N |
626.15000 |
C27H30O17 |
-6.639 |
12 |
11 |
285.75 |
18.0 |
44 |
5 |
Absorption, excretion and metabolite profiling of methyl-, glucuronyl-, glucosyl- and sulpho-conjugates of quercetin in human plasma and urine after ingestion of onions.|A perspective on targeting non-structural proteins to combat neglected tropical diseases: Dengue, West Nile and Chikungunya viruses. |
|
| Apocynin |
natural product |
Allium cepa|Bursera tonkinensis|Stellaria dichotoma|Oroxylum indicum|Phebalium clavatum|Artemisia giraldii|Croton urucurana|Anastatica hierochuntica|Artemisia latifolia|Ventilago madraspatana|Trichilia catigua|Pellina semitubulosa|Centaurea ferox|Hortonia floribunda|Dendrocalamus strictus|Conocarpus erectus|Sorbaria arborea|Cynanchum wilfordii|Vincetoxicum atratum|Hedysarum coronarium|Thalictrum podocarpum|Helichrysum splendidum|Fabiana imbricata|Meliosma wightii|Penicillium cyclopium|Scandix pecten-veneris|Lethariella sinensis|Radix cynanchi paniculati|Unona lawii|Russula lepida|Uruparia lanosa|Violsse herba|Turbina corymbosa|Campanula hypopolia|Chasmanthera dependens|Radix cynanchi|Pteris cretica|Syzygium levinei|Penicillium expansum|Pinus resinosa|Picrorhizae rhizoma|Phyllanthus tenellus|Diospyros glaucifolia|Hesperocyparis bakeri|Iridis tectori rhizoma|Urginea riparia|Perymenium mendezii|Philadelphus coronarius|Polygala fruticosa|Belamcandae rhizome|Gossypium herbaceum|Crepis czerepanovii|Achillea atrata|Apocyniveneti folium|Paeonia rockii|Pertusaria amara|Gypsophila licentiana hand.-mazz.|Apocynum cannabinum|Dendrobium gibsonii|Cortex moutan|Acacia suaveolens|Hymenoxys grandiflora|Radix bupleuri|Picrorhiza scrophulariiflora|Cordyceps sinensis|Neofusicoccum mangiferae|Picea glauca|Achlys triphylla|Iris sp|Polyporus fomentarius|Indigofera tinctoria|Ceratostigma willmottianum|Cynanchum atratum|Bromelia pinguin|Stereocaulon corticulatum|Imperata cylindrica|Lactuca laciniata|Apocynum androsaemifolium|Randia formosa|Larix lyallii|Iris tectorum|Periplaneta americana|Garcinia ovalifolia|Senecio miser|Isatis tinctoria|Calystegia pubescens|Picrorhiza kurrooa|Polypodium niponicum|Paenibacillus thiaminolyticus|Aconitum liljestrandii|Phragmatobia fuliginosa|Lampranthus sociorum|Pterocarpus macrocarpus|Neopicrorhiza scrophulariiflora|Alcyonium coralloides|Cylindropuntia leptocaulis|Alectoria ochroleuca|Thea sasanqua|Sargentodoxa cuneata|Bulbophyllum protractum|Rubus occidentalis|Dendrobates auratus|Tarchonanthus camphoratus|Zingiber officinale|Axinella polypoides|Metapochonia suchlasporia|Elymnias thryallis|Cypripedium calceolus|Eupatoriastrum nelsonii|Flemingia philippinensis|Artemisia porrecta|Funtumia africana|Iris sp.|Trichoplusia ni|Kielmeyera rubriflora|Nauclea rhynchophylla|Albizia procera|Othonna tagetes|Parmelia amphixanthoides|Harpullia ramiflora|Magnolia fraseri|Maackia floribunda|Betonica grandiflora|Picea engelmannii|Jacobaea othonnae|Corydalis pallida|Huperzia selago|Lupinus pilosus|Melanargia galathea|Dysidea chlorea|Merremia quinquefolia|Helicoon richonis|Millettia pinnata|Hydroclathrus tenuis|Tripteris microcarpa|Marsupella aquatica|Chiloscyphus rivularis|Simaba cuneata|Agave cocui|Sonchus macrocarpus|Thalictrum aquilegiifolium|Phakellia flabellata|Phyllosticta cirsii|Mesembryanthemum tortuosum|Pteris pedata |
Gen=NADPH-oxidase|Geminin - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens |Org= Hamster | Cricetinae gen. sp. |
Dis=Hepatobiliary Cancer|Hepatoma|Gen=Others |
3D viewer |
Pubchem |
3TBC |
2214 |
498-02-2 |
CC(=O)C1=CC(=C(C=C1)O)OC |
DFYRUELUNQRZTB-UHFFFAOYSA-N |
166.06000 |
C9H10O3 |
-0.766 |
1 |
1 |
46.53 |
5.0 |
12 |
1 |
Axoplasm chemical composition in Myxicola and solubility properties of its structural proteins.|Metabolic activation of phenols by stimulated neutrophils: a concept for a selective type of anti-inflammatory drug.|Effect of NADPH oxidase inhibition on endothelial cell ELAM-1 mRNA expression.|Effect of apocynin on the induction of ulcerative lesions in rat skin injected with tubercle bacteria.|The newly developed neutrophil oxidative burst antagonist apocynin inhibits joint-swelling in rat collagen arthritis.|Antiarthritic activity of the newly developed neutrophil oxidative burst antagonist apocynin. |
Acetovanillone|apocynin|498-02-2|1-(4-Hydroxy-3-methoxyphenyl)ethanone|4'-Hydroxy-3'-methoxyacetophenone|Acetoguaiacone|Acetoguaiacon|Apocynine|4-Acetyl-2-methoxyphenol|Acetovanilone|Acetovanyllon|Ethanone, 1-(4-hydroxy-3-methoxyphenyl)-|3-Methoxy-4-hydroxyacetophenone|4-HYDROXY-3-METHOXYACETOPHENONE|Acetovanillon|1-(4-hydroxy-3-methoxyphenyl)ethan-1-one|4-Hydroxy-3-methoxyphenyl methyl ketone|Acetophenone, 4'-hydroxy-3'-methoxy-|NSC 209524|UNII-B6J7B9UDTR|EINECS 207-854-5|BRN 0637373|3-Metoksy-4-hydroksyacetofenon|CCRIS 7285|2-methoxy-4-acetylphenol|B6J7B9UDTR|3-Metoksy-4-hydroksyacetofenon Polish|AI3-15892|CHEBI:2781|DFYRUELUNQRZTB-UHFFFAOYSA-N|Acetovanillone, 98%|1-(4-hydroxy-3-methoxy-phenyl)ethanone|1-(4-hydroxy-3-methoxy-phenyl)-ethanone|WLN: 1VR DQ CO1|1-acetyl-4-hydroxy-3-methoxybenzene|4-Acetylguaiacol|PubChem3315|Acetovanillone; Apocynin|ACMC-1AHLR|apocynin (acetovanillone)|bmse000584|bmse010031|AC1L1D6F|AC1Q7AD6|AURORA KA-3667|Phenol, 4-acetyl-2-methoxy|4-08-00-01814 (Beilstein Handbook Reference)|KSC236I5L|MLS001304972|SCHEMBL109514|4-hydroxy3-methoxyacetophenone|4hydroxy-3-methoxyacetophenone|Acetovanillone, >=98%, FG|AC1Q46A5|CHEMBL346919|DTXSID7060097|CTK1D6455|KS-00000WMF|TIMTEC-BB SBB008060|4-hydroxy -3-methoxyacetophenone|NSC2146|MolPort-000-000-274|Acetovanillone, analytical standard|HMS3651H03|ZINC162515|3'-Methoxy-4'-hydroxyacetophenone|HY-N0088|NSC-2146|STR03975|AKOS BBS-00003229|ANW-30844|BBL009710|MFCD00008747|NSC209524|s2425|SBB008060|STL141075|ZINC00162515|AKOS000120562|4-Hydroxy-3-methoxyphenyl methyl keton|AN-4876|AS03910|CM10957|CS-5647|DB12618|FS-3673|MCULE-4549346345|NSC-209524|RL03825|RTR-033392|1-(4-hydroxy-3-methoxyphenyl)-ethanone|NCGC00247065-01|4'-Hydroxy-3'-methoxyacetophenone, 98%|4CN-0663|AC-29981|AJ-15916|AK-42915|CJ-02042|L911|LS-13569|SC-04834|SMR000752909|1-(4-Hydroxy-3-methoxyphenyl)-1-ethanone|AB1003774|TR-033392|AM20090774|FT-0618638|ST24030066|ST50213415|SW219526-1|C11380|M-6166|21432-EP2311824A1|21432-EP2314295A1|AA-504/20839006|I01-7005|Q-200477|ACETOPHENONE,4-HYDROXY,3-METHOXY ACETOVANILLON|F2191-0004|InChI=1/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H|I75| |
| Delphinidin 3-Glucoside |
natural product |
Aspergillus falconensis | Lepisorus ussuriensis | Caesalpinia magnifoliolata | Annona cornifolia | Hypericum laricifolium | Premna odorata | Acacia adunca | Codonopsis pilosula | Amphilophium crucigerum | Aglaia laxiflora | Lepiota neomastoidea | Melicope hayesii | Anochetus kempfi | Scutellaria amoena | Grateloupia proteus | Fitchia speciosa | Polysiphonia elongata | Iryanthera paraensis | Embelia kilimandscharica | Caulerpa serrulata | Calostephane divaricata | Carya cathayensis | Cotyledon secunda | Callicarpa maingayi | Plantago amplexicaulis | Eugenia umbelliflora | Dysidea amblia | Ormosia balansae | Pastinaca sativa | Peltogyne porphyrocardia | Nasutitermes ephratae | Blastochloris viridis | Sabina sargentii | Allium cepa | Globularia orientalis | Asterospicularia laurae | Cephalaria uralensis | Scurrula atropurpurea | Crocus sativus | Helipterum roseum | Bleekeria vitiensis | Viguiera incana | Glycine max | Peltostigma guatemalense | Penicillium alutaceum | Roboastra tigris | Bishovia boliviensis | Euphorbia lactea | Delphinium shawurense | Encyothalia cliftonii | Haliclona mucosa | Morus alba | Eucalyptus melliodora | Pteris radiata | Alternaria japonica | Fagraea gracilipes | Punica granatum | myrciaria cauliflora | Gnetum latifolium | Cylindrospermopsis raciborskii | Cladonia fallax | Centaurea squarrosa | Sonchus ortunoi | Ratibida mexicana | Caragana aurantiaca | Vitis vinifera | Ahnfeltia paradoxa | Aconitum violaceum | Marrubium anisodon | Gutierrezia lucida | Ascidia ahodori | Ircinia spinosula | Pinus brutia var. eldarica | Artemisia assoana | Thalictrum minus | Ribes nigrum | Amaranthus viridis | Magnolia sieboldii | Lathyrus nissolia | Chrysothamnus parryi | Leonurus persicus | Salvia syriaca | Drechslera avenae | Naucleopsis ternstroemiiflora | Crotalaria aegyptiaca | Clusia columnaris | Alstonia spathulata | Streptomyces avermitilis | Lactarius camphoratus | Rumex maritimus | Glechoma hirsuta | Goniothalamus malayanus | Ipomoea digitata | Leathesia nana | Cryptocarya foveolata | Haplophyllum ferganicum | Swertia franchetiana | Nostoc carneum | Macowania hamata | Adiantum lunulatum | Amathia pinnata | Uvaria rufa | Scopolia hladnikiana | Hedysarum connatum | Hieracium gymnocephalum | Phlegmacium vitellinum | Laurencia spectabilis | Digitalis isabelliana | Datura inoxia | Phoebe pittieri | Agelas linnaei | Geranium sylvaticum | Dumortiera hirsuta | Vaccinium oxycoccos | Ceramium rubrum | Dicoma capensis | Astragalus sempervirens | Pseudoalteromonas luteoviolacea | Pseudeurotium zonatum | Rauvolfia vomitoria | Vincetoxicum hirundinaria | Sinularia depressa | Cyberlindnera jadinii | Euplotes raikovi | Ricinodendron africanum | Chaenomeles sinensis | Zanthoxylum tetraspermum | Trametes sanguinea | Helichrysum graveolens | Anacystis montana | Garcinia xipshuanbannaensis | Solanum laxum | Wikstroemia retusa | Lysimachia mauritiana | Isodon lasiocarpus | Artemisia carvifolia | Euphorbia turczaninowii | Litsea rotundifolia | Styrax ferrugineus |
|
|
3D viewer |
Pubchem |
|
443650 |
Delphinidin 3-O-glucoside |
C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)OC4C(C(C(C(O4)CO)O)O)O |
XENHPQQLDPAYIJ-PEVLUNPASA-O |
466.11000 |
C21H20O12 |
-4.5087 |
6 |
10 |
200.53 |
13.0 |
33 |
4 |
Development and validation of an LC-MS/MS analysis for simultaneous determination of delphinidin-3-glucoside, cyanidin-3-glucoside and cyanidin-3-(6-malonylglucoside) in human plasma and urine after blood orange juice administration.|A novel cation-dependent O-methyltransferase involved in anthocyanin methylation in grapevine.|Dietary anthocyanins protect endothelial cells against peroxynitrite-induced mitochondrial apoptosis pathway and Bax nuclear translocation: an in vitro approach.|Influence of delphinidin-3-glucoside on oxidized low-density lipoprotein-induced oxidative stress and apoptosis in cultured endothelial cells.|Neuroprotective effects of black soybean anthocyanins via inactivation of ASK1-JNK/p38 pathways and mobilization of cellular sialic acids.|Plant food delphinidin-3-glucoside significantly inhibits platelet activation and thrombosis: novel protective roles against cardiovascular diseases. |
Delphinidin 3-glucoside|Delphinidin 3-O-glucoside|Delphinidin 3-O-beta-D-glucoside|UNII-8XEQ4P5O4Z|8XEQ4P5O4Z|CHEBI:31463|Myrtillin|50986-17-9|5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-3-yl beta-D-glucopyranoside|Myrtillin A|Delphinidin 3-O-glucoside cation|AC1L9EYH|SCHEMBL675416|delphinidin 3-O-beta-glucoside|CHEMBL518846|delfinidin 3-O-beta-D-glucoside|Delphinidin-3-O-beta-glucopyranoside|C12138|(2S,3R,4S,5S,6R)-2-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol| |
| Methyl Nonyl Ketone |
natural product |
Zingiber officinale | Houttuyniae herba | Momordicae fructus | Radix bupleuri | Curcumae rhizoma | Akebia quinata | Akebia trifoliata | Allium cepa | Angelica acutiloba | Angelica gigas | Angelica sinensis | Aster tataricus | Houttuynia cordata | Capsicum annuum | Vitis vinifera | Curcuma kwangsiensis | Homo sapiens | Curcuma longa | Homo sapiens | Curcuma phaeocaulis | Ardisiae japonicae | Curcuma wenyujin | Magnolia liliflora | Curcuma zedoaria | Saururi herba | Syzygium aromaticum | Rose rugosae flos | Houttuynia cordata | Humulus lupulus | Zanthoxylum planispinum | Caryophylliflos | Kaempferia galanga | Ardisiae japonicae | Arum ternatum thunb | Pinellia ternata | Eucheuma muricatum | Junci medulla | Schisandra chinensis | Hericium erinaceus | Capsici fructus | Terminalia chebula | Crataegus pinnatifida | Ardisiae japonicae herba | Zingiber officinale | Exodermis poria | Phellodendri amurensis cortex | Craibiodendron yunnanese | Houttuynia cordata | Zingiberis rhizoma | Allii fistulost bulbus | Capsella bursa-pastoris | Bulbus allii fistulosi | Morindae officinalis radix | Sclerotium poriae cocos | Ganoderma | Magnolia liliiflora | Zanthoxyli pericarpium | Mahoniae folum |
Gen=Others|Org=Arvicola amphibius | Microtus arvalis | Meloidogyne incognita | Meloidogyne javanica |
Gen=Others |
3D viewer |
Pubchem |
3F5O |
8163 |
112-12-9 |
CCCCCCCCCC(=O)C |
KYWIYKKSMDLRDC-UHFFFAOYSA-N |
170.17000 |
C11H22O |
-2.1838 |
1 |
0 |
17.07 |
10.0 |
12 |
0 |
Virucidal effects of the steam distillate from Houttuynia cordata and its components on HSV-1, influenza virus, and HIV.|Removal of xenobiotics in a two phase sequencing batch reactor: kinetics and modelling.|Biodegradation of 4-nitrophenol in a two-phase sequencing batch reactor: concept demonstration, kinetics and modelling.|Novel arthropod repellent, BioUD, is an efficacious alternative to deet.|An odorant receptor from the southern house mosquito Culex pipiens quinquefasciatus sensitive to oviposition attractants.|Enzymatic functions of wild tomato methylketone synthases 1 and 2. |
2-Undecanone|Undecan-2-one|Methyl nonyl ketone|112-12-9|2-Hendecanone|UNDECANONE|Ketone, methyl nonyl|Nonyl methyl ketone|Rue ketone|METHYL N-NONYL KETONE|2-Oxoundecane|Methylnonylketone|MGK Dog and Cat Repellent|Caswell No. 573O|2-Undecanone (natural)|UNII-YV5DSO8CY9|Undecanone-(2)|FEMA No. 3093|HSDB 7431|NSC 4028|Methyl Nonyl Ketone FCC|Mgk dog & cat repellent|EINECS 203-937-5|YV5DSO8CY9|EPA Pesticide Chemical Code 044102|BRN 1749573|AI3-03081|CHEBI:17700|NSC4028|KYWIYKKSMDLRDC-UHFFFAOYSA-N|MFCD00009583|2-Undecanone, 98%|Q-201393|2-undecanon|Luparone|Enodyl|methyl n-nonylketone|Methyl-n-nonylketone|MGK dog AMP MNK|2-Undecanone, 99%|2-Methylundecanone,(S)|AC1L1QEM|DSSTox_CID_1943|AC1Q5H8X|ACMC-1C77Q|DSSTox_RID_76418|DSSTox_GSID_21943|KSC176M2T|SCHEMBL117635|SCHEMBL249443|WLN: 9V1|Jsp000923|CHEMBL1236582|DTXSID2021943|CTK0H6629|FEMA 3093|KS-00000YHI|2-Undecanone, analytical standard|MolPort-003-933-723|2-Undecanone, natural, FCC, FG|BB_SC-06944|NSC-4028|ZINC1529305|Tox21_301385|ANW-16393|BBL011441|LMFA12000002|SBB060389|STL146552|2-Undecanone, >=98%, FCC, FG|AKOS005720838|AN-1415|DB08688|LS-3143|MCULE-6858373499|RTR-002375|NCGC00164003-01|NCGC00255160-01|CAS-112-12-9|L352|TR-002375|FT-0613466|ST51046579|U0006|C01875|A802493|I14-10598|Methyl nonyl ketone (MNK)Nonyl methyl ketoneMethyldecananone2-HendecanoneUndecanoneIBI-246| |
| 2-Pentylfuran |
natural product |
Caulis perillae | Akebia quinata | Oldenlandia diffusa | Typha angustifolia | Artemisia capillaries | Akebia trifoliata | Ostericum grosseserratum | Typha angustifolia | Allium cepa | Panax ginseng | Herba taxilli | Angelica acutiloba | Patrinia scabiosifolia | Adenophprae ae radix | Patrinia villosa | Aucklandiae radix | Pinellia ternata | Cannabis sativa | Angelica gigas | Polygonatum odoratum | Rhododendri daurici folium | Angelica sinensis | Portulaca oleracea | Radix cynanchi paniculati | Arnebia euchroma | Scutellaria barbata | Scutellariae barbatae herba | Arnebia guttata | Sraitia grosvenorii | Capsici fructus | Bupleurum chinense | Radix chuanxiong | Glycyrrhiza | Bupleurum falcatum | Rhizoma chuanxiong | Violsse herba | Bupleurum scorzonerifolium | Dendrobium fimbriatum var. oculatum | Cuscutae semen | Capsicum annuum | Dendrobium chrysanthum | Capsella bursa-pastoris | Arisaematis rhizoma | Senna alexandrina | Hansenia weberbaueriana | Morindae officinalis radix | Actaea dahurica | Oplopanax elatus | Campsis flos | Actaea cimicifuga | Caulis perillae frutescentis | Ganoderma | Actaea heracleifolia | Sclerotium poriae cocos | Conyza stricta | Magnolia officinalis rehd et wils | Actaea simplex | Arachis hypogaea | Magnolia yunnanensis | Chuanxiong rhizoma | Cnidium officinale | Eleutherococcus giraldii | Jaborosa laciniata | Semen pharbitidis | Crocus sativus | Gardenia jasminoides | Prunus persica | Buddleja japonica | Pollen typhae | Inula helenium | Citrullus lanatus subsp. vulgaris | Gentiana utriculosa | Flemingia prostrata roxb | Ligusticum sinense | Gossypium herbaceum | Oxalis corniculata | Leonuri fructus | Lithospermum erythrorhizon | Homo sapiens | Polygonati odorati rhizoma | Lobelia chinensis | Homo sapiens | Ginkgo biloba | Hippophae fructus | Lonicera japonica | Ligusticum sinense | Homo sapiens | Allii tuberosi semen | Lycium barbarum | Exodermis poria | Bupleurum chaishoui | Ephedra herba | Lycium chinense | Hericium erinaceus | Folium perillae | Radix bupleuri | Nelumbo nucifera | Bupleurum chaishoui | Citrus reticulata | Bombyx mori | Hansenia forbesii | Oxalis corniculata | Bupleurum chinense | Meliae azedarach fructus | Hansenia weberbaueriana | Folium perillae | Ligusticum chuanxiong |
Heat shock protein beta-1 - Homo sapiens | Androgen Receptor - Homo sapiens |
|
3D viewer |
Pubchem |
|
19602 |
2-n-Pentylfuran |
CCCCCC1=CC=CO1 |
YVBAUDVGOFCUSG-UHFFFAOYSA-N |
138.10000 |
C9H14O |
-0.7112 |
0 |
0 |
13.14 |
5.0 |
10 |
1 |
Different molecular types of Pseudomonas fragi have the same overall behaviour as meat spoilers.|Physicochemical and flavor characteristics of flavoring agent from mungbean protein hydrolyzed by bromelain.|Static headspace analysis of odorants in commercial rice proteins. |
2-PENTYLFURAN|3777-69-3|Furan, 2-pentyl-|2-Amylfuran|2-n-Pentylfuran|Furan, pentyl-|PENTYLFURAN|2-Pentylfuran (natural)|UNII-6I0QAJ1JZQ|2-pentyl furan|FEMA No. 3317|EINECS 223-234-7|6I0QAJ1JZQ|BRN 0107854|CHEBI:89197|YVBAUDVGOFCUSG-UHFFFAOYSA-N|W-106514|2-pentylfurane|CCRIS 8807|2-pentyl-furan|2-n-Amylfuran|Furane, 2-pentyl|2-(N-Pentyl)furan|PubChem7059|2-(Pent-1-yl)fura|AC1L2EGN|ACMC-1CR6G|DSSTox_CID_27679|DSSTox_RID_82496|DSSTox_GSID_47679|5-17-01-00390 (Beilstein Handbook Reference)|Amyl furan (2-Pentyl furan)|SCHEMBL221257|CHEMBL3182720|DTXSID9047679|2-Pentylfuran, >=98%, FG|CTK1C2668|FEMA 3317|MolPort-001-767-620|2-Pentylfuran, analytical standard|KS-000010BS|ZINC1997926|ZX-AT008910|Tox21_303542|4832AB|ANW-28727|MFCD00036497|OR3220|AKOS015913798|ACM3777693|FCH1116834|LS-3020|NCGC00257337-01|64079-01-2|AJ-32318|AN-20963|CJ-30830|CAS-3777-69-3|AX8077986|DB-003325|RT-000871|ST2417147|FT-0613265|P1209|2-Pentylfuran, natural (US), >=97%, FG|777P693|A823863|C-36409| |
| Apocynin |
bioactive compound |
Allium cepa|Bursera tonkinensis|Stellaria dichotoma|Oroxylum indicum|Phebalium clavatum|Artemisia giraldii|Croton urucurana|Anastatica hierochuntica|Artemisia latifolia|Ventilago madraspatana|Trichilia catigua|Pellina semitubulosa|Centaurea ferox|Hortonia floribunda|Dendrocalamus strictus|Conocarpus erectus|Sorbaria arborea|Cynanchum wilfordii|Vincetoxicum atratum|Hedysarum coronarium|Thalictrum podocarpum|Helichrysum splendidum|Fabiana imbricata|Meliosma wightii|Penicillium cyclopium|Scandix pecten-veneris|Lethariella sinensis|Radix cynanchi paniculati|Unona lawii|Russula lepida|Uruparia lanosa|Violsse herba|Turbina corymbosa|Campanula hypopolia|Chasmanthera dependens|Radix cynanchi|Pteris cretica|Syzygium levinei|Penicillium expansum|Pinus resinosa|Picrorhizae rhizoma|Phyllanthus tenellus|Diospyros glaucifolia|Hesperocyparis bakeri|Iridis tectori rhizoma|Urginea riparia|Perymenium mendezii|Philadelphus coronarius|Polygala fruticosa|Belamcandae rhizome|Gossypium herbaceum|Crepis czerepanovii|Achillea atrata|Apocyniveneti folium|Paeonia rockii|Pertusaria amara|Gypsophila licentiana hand.-mazz.|Apocynum cannabinum|Dendrobium gibsonii|Cortex moutan|Acacia suaveolens|Hymenoxys grandiflora|Radix bupleuri|Picrorhiza scrophulariiflora|Cordyceps sinensis|Neofusicoccum mangiferae|Picea glauca|Achlys triphylla|Iris sp|Polyporus fomentarius|Indigofera tinctoria|Ceratostigma willmottianum|Cynanchum atratum|Bromelia pinguin|Stereocaulon corticulatum|Imperata cylindrica|Lactuca laciniata|Apocynum androsaemifolium|Randia formosa|Larix lyallii|Iris tectorum|Periplaneta americana|Garcinia ovalifolia|Senecio miser|Isatis tinctoria|Calystegia pubescens|Picrorhiza kurrooa|Polypodium niponicum|Paenibacillus thiaminolyticus|Aconitum liljestrandii|Phragmatobia fuliginosa|Lampranthus sociorum|Pterocarpus macrocarpus|Neopicrorhiza scrophulariiflora|Alcyonium coralloides|Cylindropuntia leptocaulis|Alectoria ochroleuca|Thea sasanqua|Sargentodoxa cuneata|Bulbophyllum protractum|Rubus occidentalis|Dendrobates auratus|Tarchonanthus camphoratus|Zingiber officinale|Axinella polypoides|Metapochonia suchlasporia|Elymnias thryallis|Cypripedium calceolus|Eupatoriastrum nelsonii|Flemingia philippinensis|Artemisia porrecta|Funtumia africana|Iris sp.|Trichoplusia ni|Kielmeyera rubriflora|Nauclea rhynchophylla|Albizia procera|Othonna tagetes|Parmelia amphixanthoides|Harpullia ramiflora|Magnolia fraseri|Maackia floribunda|Betonica grandiflora|Picea engelmannii|Jacobaea othonnae|Corydalis pallida|Huperzia selago|Lupinus pilosus|Melanargia galathea|Dysidea chlorea|Merremia quinquefolia|Helicoon richonis|Millettia pinnata|Hydroclathrus tenuis|Tripteris microcarpa|Marsupella aquatica|Chiloscyphus rivularis|Simaba cuneata|Agave cocui|Sonchus macrocarpus|Thalictrum aquilegiifolium|Phakellia flabellata|Phyllosticta cirsii|Mesembryanthemum tortuosum|Pteris pedata |
Gen=NADPH-oxidase|Geminin - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens |Org= Hamster | Cricetinae gen. sp. |
Dis=Hepatobiliary Cancer|Hepatoma|Gen=Others |
3D viewer |
Pubchem |
3TBC |
2214 |
498-02-2 |
CC(=O)C1=CC(=C(C=C1)O)OC |
DFYRUELUNQRZTB-UHFFFAOYSA-N |
166.17000 |
C9H10O3 |
1.311 |
2 |
1 |
46.50 |
2.0 |
12 |
1 |
Apocynin is a selective NADPH-oxidase inhibitor with IC50 of 10 ?M. |
Acetovanillone |
| 1-Propanethiol |
natural product |
Homo sapiens | Allium cepa | Allium cepa | Solanum tuberosum | Phaseolus vulgaris | Allium sativum | Allium cepa | Bulbus allii fistulosi |
Org=Arvicola amphibius |
Org=Arvicola amphibius |
3D viewer |
Pubchem |
3S57 3S5A 3BTY 3BUC |
7848 |
107-03-9 |
CCCS |
SUVIGLJNEAMWEG-UHFFFAOYSA-N |
76.03000 |
C3H8S |
0.2859 |
0 |
0 |
38.80 |
3.0 |
4 |
0 |
Conversion of leukotriene A4 to leukotriene B4: catalysis by human liver microsomes under anaerobic conditions.|The anesthetic potency of propanol and butanol versus propanethiol and butanethiol in alpha1 wild type and alpha1(S267Q) glycine receptors.|Studies of the chemical selectivity of hapten, reactivity, and skin sensitization potency. 1. Synthesis and studies on the reactivity toward model nucleophiles of the (13)C-labeled skin sensitizers hex-1-ene- and hexane-1,3-sultones.|Inclusion complex formation of captopril with alpha- and beta-cyclodextrins in aqueous solution: NMR spectroscopic and molecular dynamic studies.|A high-yield method to extract peptides from rat brain tissue.|A new maleimide-bound acid-cleavable solid-support reagent for profiling phosphorylation. |
1-Propanethiol|Propane-1-thiol|Propanethiol|107-03-9|PROPYL MERCAPTAN|n-Propylmercaptan|n-Propyl mercaptan|n-Propylthiol|1-Propylmercaptan|Propylthiol|1-Mercaptopropane|1-Propyl mercaptan|Thiopropyl alcohol|n-Thiopropyl alcohol|1-propylthiol|Mercaptan C3|propylmercaptan|Propanethiols|UNII-4AB0N08V2H|FEMA No. 3521|CCRIS 1246|HSDB 1037|EINECS 203-455-5|n-C3H7SH|BRN 1696860|4AB0N08V2H|CHEBI:8473|SUVIGLJNEAMWEG-UHFFFAOYSA-N|MFCD00004900|79869-58-2|n-propanethiol|propan-1-thiol|SSP|propanethiol, sodium salt|propanthiol|propane thiol|propyl thiol|1-propanthiol|1-Propanethoil|1-propane thiol|1-propyl thiol|NPM™|n-PrSH|UN2402|1-Propanethiol, 99%|AC1L1POU|AC1Q7GOX|51285-52-0|Propyl mercaptan, >=97%|3-Mercaptopropyl Silica Gel|4-01-00-01449 (Beilstein Handbook Reference)|KSC176I9H|ACMC-2098n6|Jsp000626|CHEMBL1236818|DTXSID5026750|CTK0H6493|FEMA 3521|MolPort-001-782-697|ZINC897490|6898-84-6 (hydrochloride salt)|ANW-15472|Propyl mercaptan, analytical standard|AKOS000121933|LS-3076|MCULE-8267649092|RTR-001374|TRA0025519|1-Propanethiol, natural, >=98%, FG|KS-00000W31|AN-22461|SC-91751|TR-001374|FT-0608279|FT-0625298|M1979|P0488|Propanethiols UN2402 Flammable liquid|Propanethiols UN2402 Flammable liquid|C08390|135120-EP2280000A1|135120-EP2292228A1|135302-EP2274983A1|135302-EP2292228A1|146588-EP2292597A1|146588-EP2377849A2|A801560|I09-0183|InChI=1/C3H8S/c1-2-3-4/h4H,2-3H2,1H|J-001693|F8880-8482| |
| Quercetin-3,4'-Diglucoside |
natural product |
Allium victorialis | Solanum lycopersicum | Allium cepa | Solanum habrochaites | Allium cepa | Ginkgo biloba |
Tyrosinase - Agaricus bisporus |
|
3D viewer |
Pubchem |
|
5320835 |
29125-80-2 |
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O |
RPVIQWDFJPYNJM-DEFKTLOSSA-N |
626.15000 |
C27H30O17 |
-6.639 |
12 |
11 |
285.75 |
18.0 |
44 |
5 |
alpha-Oligoglucosylation of a sugar moiety enhances the bioavailability of quercetin glucosides in humans. |
Quercetin 3,4'-diglucoside|quercetin 3,4'-O-diglucoside|29125-80-2|Quercetin-3,4'-diglucoside|AC1NSZX6|SCHEMBL934200|CHEMBL1098352|CHEBI:131498|MolPort-019-937-450|ZINC49781425|MCULE-5166055618|quercetin 3,4'-di-O-beta-D-glucoside|Quercetin-3,4'-O-di-beta-glucopyranoside|Quercetin 3,4'-di-O-beta-D-glucopyranoside|J-017401|Quercetin 3,4'-diglucoside, >=85% (LC/MS-UV)|4-3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl-2-hydroxyphenyl beta-D-glucopyranoside|5,7-dihydroxy-2-3-hydroxy-4-(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yloxyphenyl-3-(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yloxychromen-4-one| |
| (+)-Usnic Acid |
natural product |
Alectoria ochroleuca|Euonymus alatus|Boenninghausenia sessilicarpa|Centaurea balsamita|Eucomis comosa|Lobaria scrobiculata|Glycosmis macrantha|Ilex pernyi|Allium cepa|Cladonia mitis|Solanum havanense|Helleborus niger|Entada pursaetha|Lichen usnea|Vernonia echioides|Dasyscyphus nidulus|Nemuaron vieillardii|Heliophila longifolia|Ormosia henryi|Ardisia gigantifolia|Vanilla planifolia|Cyclanthera pedata|Rottlera tinctoria|Cucumis prophetarum|Euphorbia thymifolia|Xanthogaleruca luteola|Corsinia coriandrina|Lycopodium clavatum|Hispidella hispanica|Chloranthus henryi|Streptomyces ghanaensis|Bouvardia ternifolia|Scabiosa tschiliensis|Senecio macrospermus |
Gen=Others|Human immunodeficiency virus type 1 integrase - Human immunodeficiency virus 1 | Protein-tyrosine phosphatase 1B - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Leukocyte elastase - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Fructose-1,6-bisphosphatase - Homo sapiens | Cholinesterase - Equus caballus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Fructose-1,6-bisphosphatase - Sus scrofa |Org= Mus musculus | Mycobacterium tuberculosis | Plasmodium falciparum | Plasmodium berghei | Spodoptera littoralis | Plasmodium falciparum (isolate K1 / Thailand) | Influenza A virus | Escherichia coli ATCC 8739 |
Dis=Breast Cancer|Ductal Adenocarcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Gen=Others |
3D viewer |
Pubchem |
|
478125 |
7562-61-0 |
CC1=C(C(=C2C(=C1O)C3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C)O |
WEYVVCKOOFYHRW-SFHVURJKSA-N |
344.09000 |
C18H16O7 |
-1.202 |
4 |
3 |
121.13 |
9.0 |
25 |
3 |
Depsides and depsidones as inhibitors of HIV-1 integrase: discovery of novel inhibitors through 3D database searching.|Lichen metabolites. 1. Inhibitory action against leukotriene B4 biosynthesis by a non-redox mechanism.|Usimines A-C, bioactive usnic acid derivatives from the Antarctic lichen Stereocaulon alpinum.|Synthesis and cytotoxic activities of usnic acid derivatives.|Designing inhibitors against fructose 1,6-bisphosphatase: exploring natural products for novel inhibitor scaffolds.|Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine. |
(+)-Usnic acid|d-Usninic acid|(-)-Usnic acid|(R)-Usnic acid|7562-61-0|CHEBI:38320|(R)-2,6-Diacetyl-3,7,9-trihydroxy-8,9b-dimethyl-9bH-dibenzofuran-1-one|(+)-Usnic acid from Usnea dasypoga|NSC-685596|UNII-663456969I|(9bR)-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzob,dfuran-1(9bH)-one|CHEMBL242022|MFCD00016878|(R)-(+)-Usnic acid|663456969I|AC1L9Y5D|AC1Q5D8E|SCHEMBL177775|2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3(2H,9bH)-dione|CTK5E1786|ZINC135466|BDBM50202829|ZINC53007738|AKOS032948335|RTR-031535|ST057566|AJ-112151|TR-031535|A838466|UNII-0W584PFJ77 component WEYVVCKOOFYHRW-SFHVURJKSA-N|(9bR)-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyl-1-dibenzofuranone|(9bR)-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyl-dibenzofuran-1-one|(9bR)-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzofuran-1-one|(9bR)-2,6-diethanoyl-8,9b-dimethyl-3,7,9-tris(oxidanyl)dibenzofuran-1-one|1,3(2H,9bH)-Dibenzofurandione,2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-, (9bR)-|(S)-1,1'-(1,7,9-trihydroxy-8,9b-dimethyl-3-oxo-3,9b-dihydrodibenzob,dfuran-2,6-diyl)diethanone| |
| Methylnonylketone |
bioactive compound |
Zingiber officinale | Houttuyniae herba | Momordicae fructus | Radix bupleuri | Curcumae rhizoma | Akebia quinata | Akebia trifoliata | Allium cepa | Angelica acutiloba | Angelica gigas | Angelica sinensis | Aster tataricus | Houttuynia cordata | Capsicum annuum | Vitis vinifera | Curcuma kwangsiensis | Homo sapiens | Curcuma longa | Homo sapiens | Curcuma phaeocaulis | Ardisiae japonicae | Curcuma wenyujin | Magnolia liliflora | Curcuma zedoaria | Saururi herba | Syzygium aromaticum | Rose rugosae flos | Houttuynia cordata | Humulus lupulus | Zanthoxylum planispinum | Caryophylliflos | Kaempferia galanga | Ardisiae japonicae | Arum ternatum thunb | Pinellia ternata | Eucheuma muricatum | Junci medulla | Schisandra chinensis | Hericium erinaceus | Capsici fructus | Terminalia chebula | Crataegus pinnatifida | Ardisiae japonicae herba | Zingiber officinale | Exodermis poria | Phellodendri amurensis cortex | Craibiodendron yunnanese | Houttuynia cordata | Zingiberis rhizoma | Allii fistulost bulbus | Capsella bursa-pastoris | Bulbus allii fistulosi | Morindae officinalis radix | Sclerotium poriae cocos | Ganoderma | Magnolia liliiflora | Zanthoxyli pericarpium | Mahoniae folum |
Gen=Others|Org=Arvicola amphibius | Microtus arvalis | Meloidogyne incognita | Meloidogyne javanica |
Gen=Others |
3D viewer |
Pubchem |
3F5O |
8163 |
112-12-9 |
CCCCCCCCCC(=O)C |
KYWIYKKSMDLRDC-UHFFFAOYSA-N |
170.29000 |
C11H22O |
3.756 |
1 |
0 |
17.10 |
8.0 |
12 |
0 |
Methylnonylketone, also known as 2-Undecanone and IBI-246, is a natural non-toxic insect repellant compound. |
2-Undecanone, IBI-246 |
| Benzyl isothiocyanate |
bioactive compound |
Lepidium apetalum | Descurainia sophia | Tropaeolum majus | Brassica juncea | Tropaeolum majus | Tropaeolum majus | Lepidium apetalum | Descurainia sophia | Carica papaya | Carica papaya | Brassica juncea | Brassica juncea | Lepidii semen descurainiae semen | Sinapis semen | Allium cepa | Carica papaya |
Gen=Others|Glutathione S-transferase kappa 1 - Homo sapiens | Glutathione S-transferase Mu 1 - Mus musculus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Transient receptor potential cation channel subfamily A member 1 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | P-glycoprotein 1 - Homo sapiens | Vanilloid receptor - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Vitamin D receptor - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | Heat shock protein beta-1 - Homo sapiens | Macrophage migration inhibitory factor - Homo sapiens | Cytochrome P450 2B1 - Rattus norvegicus | Androgen Receptor - Homo sapiens |Org= Sclerotinia sclerotiorum | Meloidogyne javanica |
Gen=Others |
3D viewer |
Pubchem |
6EQW 4OMD 6EQX 6EQV |
2346 |
622-78-6 |
C1=CC=C(C=C1)CN=C=S |
MDKCFLQDBWCQCV-UHFFFAOYSA-N |
149.21000 |
C8H7NS |
0 |
0 |
0 |
44.40 |
0.0 |
10 |
1 |
Benzyl isothiocyanate (BITC) is an isothiocyanate originally found in cruciferous vegetables that exhibits immunomodulatory, anti-parasitic, antibiotic, antioxidative, anti-atherosclerotic, anti-angiogenic, anti-metastatic, anticancer chemotherapeutic, and chemopreventive activities. |
Benzyl isothiocyanate, Benzoylthiocarbimide, Isothiocyanic Acid Benzoyl Ester |
| Methyl Cis-Ferulate |
natural product |
Allium cepa|Perilla frutescens|Sesamum indicum|Stemona japonica|Hibiscus taiwanensis|Radix rehmanniae |
Org=Puccinia graminis f. sp. tritici | Puccinia coronata |
Dis=Hepatobiliary Cancer|Hepatoma|Org=Puccinia graminis f. sp. tritici | Puccinia coronata |
3D viewer |
Pubchem |
|
10176654 |
No Cas |
COC1=C(C=CC(=C1)C=CC(=O)OC)O |
AUJXJFHANFIVKH-XQRVVYSFSA-N |
208.07000 |
C11H12O4 |
-0.1398 |
2 |
1 |
55.76 |
7.0 |
15 |
1 |
|
METHYL CIS-FERULATE|cis-Ferulic acid methyl ester|UNII-B476T91J1F|B476T91J1F|Methyl (Z)-ferulate|34298-89-0|Methyl ferulate, (Z)-|CHEMBL2287145|Cinnamic acid, 4-hydroxy-3-methoxy-, methyl ester, (Z)-|ZINC12358996|2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, methyl ester, (2Z)-|CJ-13850|4CH-006720| |
| 2-Methyl-(E)-2-Butenal |
natural product |
Allium schoenoprasum | Lysimachiae foenigraeci herba | Ephedra herba | Allium cepa | Aloe africana | Aloe vera | Aloe ferox | Aloe spicata | Angelica acutiloba | Angelica gigas | Angelica sinensis |
Org=Myzus persicae |
Org=Myzus persicae |
3D viewer |
Pubchem |
|
5321950 |
497-03-0 |
CC=C(C)C=O |
ACWQBUSCFPJUPN-HWKANZROSA-N |
84.06000 |
C5H8O |
1.1613 |
1 |
0 |
17.07 |
3.0 |
6 |
0 |
Spatiotemporal alterations in primary odorant representations in olfactory marker protein knockout mice. |
Tiglic aldehyde|trans-2-Methyl-2-butenal|Tiglaldehyde|497-03-0|2-methylbut-2-enal|(E)-2-Methylbut-2-enal|Tiglic acid aldehyde|Tiglinaldehyde|2-Methylcrotonaldehyde|E-2-Methyl-2-butenal|2-Butenal, 2-methyl-, (E)-|Tigaldehyde, trans-|2-Butenal, 2-methyl-, (2E)-|2,3-Dimethylacrolein|1115-11-3|Crotonaldehyde, 2-methyl-, (E)-|trans-2,3-Dimethylacrolein|UNII-27ZVE2K81C|2-Methyl-2-butenal, trans-|2-METHYL-2-BUTENAL|2-Methylcrotonaldehyde, (E)-|FEMA No. 3407|2-Methyl-2-butenal, (E)-|2-Methylbut-2-en-1-al, (E)-|NSC 2179|EINECS 207-833-0|AI3-24379|2-Butenal, 2-methyl-|27ZVE2K81C|trans-Tiglaldehyde|ACWQBUSCFPJUPN-HWKANZROSA-N|MFCD00006977|2-methyl-(E)-2-butenal|trans-2-Methylcrotonaldehyde|trans-2-Methyl-2-butenal, 98%|6038-09-1|(e)-2-methyl-2-butenal|2-Butenal,2-methyl-(Z)-|tiglinaldehydn|tiglic aldehydn|CCRIS 8097|(E)-tiglaldehyde|Crotonaldehyde, 2-methyl-, (E)- (8CI)|AC1Q6PHE|Tiglic aldehyde, >=96%|AC1NT10G|AC1Q2A2Z|DSSTox_CID_29264|DSSTox_RID_83383|DSSTox_GSID_49308|CHEMBL53493|DTXSID1049308|2-Butenal,2-methyl-, (Z)-|ACWQBUSCFPJUPN-HWKANZROSA-|NSC2179|MolPort-001-792-101|NSC-2179|ZINC1577193|Tox21_202837|7385AF|AKOS015912688|FCH1115140|FCH3406620|FCH3461294|NCGC00260383-01|AN-21407|CAS-497-03-0|CJ-25024|LS-179707|trans-2-Methyl-2-butenal, analytical standard|EN300-109078|I14-43585|I14-48659|trans-2-Methyl-2-butenal, sum of isomers, >=99%, FG|InChI=1/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+| |
| 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 |
| Methyl Ferulate |
natural product |
Allium cepa|Streptomyces pentaticus|Eritrichium sericeum|Woodsia manchuriensis|Aplophyllum pedicellatum|Streptomyces argenteolus|Anemone tomentosa|Phlogacanthus tubiflorus|Olea europaea|Colpomenia sinuosa|Sabia japonica|Chrysosplenium americanum|Lobophytum schoedei|Pisonia aculeata|Bohadschia vitiensis|Sesamum indicum|Stemona japonica |
Quinone oxidoreductase - Mus musculus |Org= Pythium | Athelia rolfsii |
Dis=Hepatobiliary Cancer|Hepatoma|Org=Pythium | Athelia rolfsii |
3D viewer |
Pubchem |
|
5357283 |
22329-76-6 |
COC1=C(C=CC(=C1)C=CC(=O)OC)O |
AUJXJFHANFIVKH-GQCTYLIASA-N |
208.07000 |
C11H12O4 |
-0.1398 |
2 |
1 |
55.76 |
7.0 |
15 |
1 |
Synthesis of feruloyl-myo-inositols and their inhibitory effects on superoxide generation.|Biochemical analysis of a beta-D-xylosidase and a bifunctional xylanase-ferulic acid esterase from a xylanolytic gene cluster in Prevotella ruminicola 23.|Design, synthesis and antithrombotic evaluation of novel dabigatran prodrugs containing methyl ferulate.|Characterization of a feruloyl esterase from Lactobacillus plantarum.|Stimulation of phosphorylation of ERK and CREB by phellopterin and auraptene isolated from Citrusjunos.|Discovery of novel feruloyl esterase activity of BioH in Escherichia coli BL21(DE3). |
Methyl ferulate|2309-07-1|methyl 3-(4-hydroxy-3-methoxyphenyl)acrylate|Ferulic acid methyl ester|22329-76-6|Ferulic acid methylester|methyl 4-hydroxy-3-methoxycinnamate|trans-methylferulate|CHEBI:67379|CINNAMIC ACID, 4-HYDROXY-3-METHOXY-, METHYL ESTER|2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, methyl ester|UNII-Y98BUA66RX|Y98BUA66RX|trans-Ferulic acid methyl ester|AUJXJFHANFIVKH-GQCTYLIASA-N|NSC 74548|NSC-74548|BRN 2731141|methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate|methyl (E)-4-hydroxy-3-methoxycinnamate|AI3-23713|2-propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, methyl ester, (2E)-|EN300-28623|methyl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate|Methyl (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate|methyl trans-ferulate|AC1NSAI3|Methyl ferulate, (E)-|bmse000609|bmse010229|CHEMBL32969|Methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate|AC1Q41K7|MolPort-001-786-899|MolPort-009-674-147|ALBB-026142|NSC74548|ZINC1621053|SBB059306|STK665368|AKOS003404666|AKOS025310509|CS-W019429|GS-3694|HY-W018643|MCULE-7084750759|Methyl 4'-hydroxy-3'-methoxycinnamate|AJ-28336|AK-88786|CJ-05793|LS-54118|AB1009461|ST2413323|ST4134741|TC-133591|4-hydroxy-3-methoxy-cinnamic acid methyl ester|(E)-4-hydroxy-3-methoxycinnamic acid methyl ester|(E)4-hydroxy-3-methoxycinnamic acid methyl ester|309F071|4-10-00-01779 (Beilstein Handbook Reference)|methyl(E)-3-(4-hydroxy-3-methoxyphenyl)acrylate|I01-8171|J-014979|4-HYDROXY-3-METHOXYCINNAMIC ACID METHYL ESTER|methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate|methyl(2e)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate|Methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate|Methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate #|methyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate|3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid methyl ester|2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, methyl ester (9CI)|2-Propenoic acid,3-(4-hydroxy-3-methoxyphenyl)-, methyl ester, (2E)-|Ferulic acid methyl ester; 4-Hydroxy-3-methoxycinnamic acid methyl ester; Methyl 3-(4-hydroxy-3-methoxyphenyl)acrylate| |
| 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| |
| 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| |
| (Methyldisulfanyl)Methane |
natural product |
Homo sapiens | Homo sapiens | Allium cepa | Allium cepa | Allium sativum | Allium sativum | Rhodospirillum rubrum | Isoplexis sceptrum | Herbertus sakuraii | Allium sativum | Ovibos moschatus | Elephantopus angustifolius | Loranthus parasiticus | Sarcocephalus latifolius | Aniba megaphylla | Libocedrus decurrens | Paederiae scandentis herba | Allium azureum ledeb | Raphani semen | Allii sativi bulbus | Allii tuberosi semen | Allium sativum | Bulbus allii fistulosi | Paederia scandens | Allium cepa | Crataegus pinnatifida | Capsella bursa-pastoris | Allium sativum | Allium tuberosum | Allium tuberosum | Allium tuberosum | Berberis integerrima | Crataegus pinnatifida | Homo sapiens |
Peroxisome proliferator-activated receptor delta - Homo sapiens | Thyroid stimulating hormone receptor - Homo sapiens | Proto-oncogene c-JUN - Homo sapiens |
|
3D viewer |
Pubchem |
|
12232 |
624-92-0 |
CSSC |
WQOXQRCZOLPYPM-UHFFFAOYSA-N |
93.99000 |
C2H6S2 |
1.3858 |
0 |
0 |
50.60 |
3.0 |
4 |
0 |
Trace determination of volatile sulfur compounds by solid-phase microextraction and GC-MS.|Statistical and theoretical investigations on the directionality of nonbonded S...O interactions. Implications for molecular design and protein engineering.|Beta-glucuronidase inhibitor tectorigenin isolated from the flower of Pueraria thunbergiana protects carbon tetrachloride-induced liver injury.|Evaluation of solid-phase microextraction for time-weighted average sampling of volatile sulfur compounds at ppb concentrations.|Study on the organoleptic intensity scale for measuring oral malodor.|Dissociative recombination cross section and branching ratios of protonated dimethyl disulfide and N-methylacetamide. |
Dimethyl disulfide|METHYL DISULFIDE|624-92-0|Dimethyldisulfide|Disulfide, dimethyl|DMDS|2,3-Dithiabutane|Dimethyl disulphide|(Methyldisulfanyl)methane|Methyldisulfide|Methyldithiomethane|(Methyldithio)methane|Methyldisulfanylmethane|NSC 9370|UNII-3P8D642K5E|FEMA No. 3536|CCRIS 2939|1,2-Dimethyldisulfane|HSDB 6400|EINECS 210-871-0|UN2381|AI3-25305|CHEBI:4608|(CH3S)2|WQOXQRCZOLPYPM-UHFFFAOYSA-N|3P8D642K5E|MFCD00008561|Methyl disulfide, 99%|dimethydisulfide|methyl disulphide|dimethyldisulphide|Disulfide dimethyl|MeS-SMe|PubChem9665|methyldisulfanyl methane|AC1Q4HEQ|AC1Q4HER|Methyl disulfide (8CI)|Dimethyl disulfide, 98%|Dimethyl disulfide, 99%|DSSTox_CID_5117|EC 210-871-0|(Methyldisulfanyl)methane #|DSSTox_RID_77673|DSSTox_GSID_25117|Dimethyl disulfide, >=99%|WLN: 1SS1|AC1L1Z53|CHEMBL1347061|Dimethyl disulfide, >=99.0%|DTXSID4025117|CTK2F3131|NSC9370|MolPort-003-929-787|BDBM233038|Dimethyl disulfide, >=98%, FG|KS-000017OV|NSC-9370|ZINC8221057|EINECS 272-923-9|Tox21_201525|(1/4)x>>u paragraph signthornAoAN|AKOS009157459|Methyl disulfide, 99%, AcroSeal(R)|Dimethyl disulfide, analytical standard|LS-1499|MCULE-7451882535|RP18575|RTR-021489|UN 2381|NCGC00091798-01|NCGC00091798-02|NCGC00259075-01|AN-22028|CAS-624-92-0|Dimethyl disulfide, natural, >=98%, FG|TL8004165|TR-021489|D0714|Dimethyl disulfide, purum, >=98.0% (GC)|FT-0625135|EN300-36043|InChI=1/C2H6S2/c1-3-4-2/h1-2H|C08371|Dimethyl disulfide UN2381 Flammable liquid|224638-EP2371831A1|A833808|Dimethyl disulfide UN2381 Flammable liquid|I09-0129|Q-100719|F0001-1676| |
| 2-Tridecanone |
natural product |
Momordicae fructus | Akebia quinata | Akebia trifoliata | Allium cepa | Houttuynia cordata | Humulus lupulus | Zanthoxylum bungeanum | Zanthoxylum piperitum | Zanthoxylum schinifolium | Ixora chinensis | Fructus schiandrae | Nicotiana tabacum | Bulbus allii fistulosi | Sorbus tianschanica | Zanthoxylum integrifoliolum | Juncus effusus | Juncus effusus | Rosa rugosa | Houttuynia cordata | Rosa rugosa | Rosa rugosa | Nicotiana tabacum | Nicotiana tabacum | Homo sapiens | Homo sapiens | Sorbus tianschanica | Sorbus tianschanica | Common rush | Zanthoxylum schinifolium | Rose rugosae flos | Junci medulla | Evodiae fructus | Zingiber officinale | Lysimachiae foenigraeci herba |
Org=Meloidogyne javanica | Meloidogyne incognita |
Org=Meloidogyne javanica | Meloidogyne incognita |
3D viewer |
Pubchem |
|
11622 |
593-08-8 |
CCCCCCCCCCCC(=O)C |
CYIFVRUOHKNECG-UHFFFAOYSA-N |
198.20000 |
C13H26O |
-2.7598 |
1 |
0 |
17.07 |
12.0 |
14 |
0 |
Glutathione S-transferases from larval Manduca sexta midgut: sequence of two cDNAs and enzyme induction.|An odorant receptor from the southern house mosquito Culex pipiens quinquefasciatus sensitive to oviposition attractants.|Enzymatic functions of wild tomato methylketone synthases 1 and 2.|Odorant-binding proteins of the malaria mosquito Anopheles funestus sensu stricto.|Phylogenetic and experimental characterization of an acyl-ACP thioesterase family reveals significant diversity in enzymatic specificity and activity.|Distinct expression profiles and different functions of odorant binding proteins in Nilaparvata lugens St?l. |
2-TRIDECANONE|Tridecan-2-one|593-08-8|Methyl undecyl ketone|Mathyl undecyl kepoje|Hendecyl methyl ketone|Methyl n-undecyl ketone|2-Tridecankje|Tridecanone-2|TRIDECANONE|2-Tridecanone (natural)|UNII-5Q35VHX26K|NSC 14763|FEMA No. 3388|EINECS 209-784-0|AI3-04238|5Q35VHX26K|CHEBI:77928|CYIFVRUOHKNECG-UHFFFAOYSA-N|MFCD00008968|W-105331|2-Tridecanone, 99%|ACMC-1AQBG|DSSTox_CID_2070|AC1L1XR9|DSSTox_RID_76479|DSSTox_GSID_22070|KSC270G4R|SCHEMBL119126|CHEMBL480097|DTXSID4022070|2-Tridecanone, >=96%, FG|CTK1H0348|FEMA 3388|MolPort-003-927-112|2-Tridecanone, analytical standard|NSC14763|ZINC1653218|Tox21_301838|ANW-33220|LMFA12000058|NSC-14763|AKOS009158653|2-Tridecanone, >=98%, natural, FG|EBD2211689|LS-1417|RTR-020580|TRA0066951|NCGC00255260-01|AK-95269|AN-21550|CAS-593-08-8|CC-12003|H645|SY033275|2-Tridecanone, purum, >=97.0% (GC)|AB1006140|AX8237196|DB-003333|TR-020580|FT-0613458|ST24026018|MFCD00008968 (95%)|A832256|C-28181|I14-6312|2TD| |
| Phloroglucinaldehyde |
natural product |
Allium cepa |
Org=Rattus norvegicus |
Org=Rattus norvegicus |
3D viewer |
Pubchem |
|
68099 |
487-70-7 |
C1=C(C=C(C(=C1O)C=O)O)O |
BTQAJGSMXCDDAJ-UHFFFAOYSA-N |
154.03000 |
C7H6O4 |
-1.5733 |
1 |
3 |
77.76 |
4.0 |
11 |
1 |
Identification of Cabernet Sauvignon anthocyanin gut microflora metabolites.|Health-Beneficial Phenolic Aldehyde in Antigonon leptopus Tea.|Biological activities of polyphenols from grapes.|Angiotensin-I-converting enzyme (ACE) inhibitors from marine resources: prospects in the pharmaceutical industry.|Dieckol from Ecklonia cava Regulates Invasion of Human Fibrosarcoma Cells and Modulates MMP-2 and MMP-9 Expression via NF-B Pathway.|Phlorotannins from brown algae (Fucus vesiculosus) inhibited the formation of advanced glycation endproducts by scavenging reactive carbonyls. |
2,4,6-Trihydroxybenzaldehyde|487-70-7|Phloroglucinaldehyde|Benzaldehyde, 2,4,6-trihydroxy-|Formylphloroglucinal|Formylphloroglucinol|NSC 38610|BRN 2254429|Phloroglucinol aldehyde|EINECS 207-663-7|UNII-I70C45KRO9|I70C45KRO9|BTQAJGSMXCDDAJ-UHFFFAOYSA-N|MFCD00003329|AK-81651|2,4,6-trihydroxybenzaldehyd|NSC38610|PubChem21790|AC1Q6Q1A|AC1Q78MS|ACMC-1AO01|Benzaldehyde,4,6-trihydroxy-|SCHEMBL307321|2,4,6-trihydroxy-benzaldehyde|AC1L290Y|ARK075|CHEMBL2403487|KS-00000LKI|DTXSID90197594|MolPort-001-783-197|2,4,6-tris(oxidanyl)benzaldehyde|ZINC1670802|ANW-30694|NSC-38610|AKOS015899852|CS-W005130|FCH1118038|GS-3678|MCULE-6389850503|2,4,6-Trihydroxybenzaldehyde, >=97%|AJ-29182|AN-45250|CC-07166|CJ-27130|LS-25168|SC-49966|ST095214|SY047039|AB0031484|AX8004708|DB-019833|ST2403645|TC-119439|FT-0609876|T1744|X4581|MFCD00003329 (98%)|K-9192|487T707|A827604|C-03264|I14-11155|InChI=1/C7H6O4/c8-3-5-6(10)1-4(9)2-7(5)11/h1-3,9-11| |
| Diffractaic Acid |
natural product |
Ormosia henryi | Xanthogaleruca luteola | Senecio macrospermus | Ardisia gigantifolia | Eucomis comosa | Lichen usnea | Illicium difengpi | Usnea longissima | Usnea diffracta | Illicium difengpi | Bouvardia ternifolia | Illicium difengpi | Lycopodium clavatum | Entada pursaetha | Allium cepa |
Neuropeptide S receptor - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | ATPase family AAA domain-containing protein 5 - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Cruzipain - Trypanosoma cruzi | Mothers against decapentaplegic homolog 3 - Homo sapiens | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Human immunodeficiency virus type 1 integrase - Human immunodeficiency virus 1 | Alpha-synuclein - Homo sapiens | Serine/threonine-protein kinase PLK1 - Homo sapiens | Luciferin 4-monooxygenase - Photinus pyralis | Ferritin light chain - Equus caballus | 78 kDa glucose-regulated protein - Homo sapiens | Microtubule-associated protein tau - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | FAD-linked sulfhydryl oxidase ALR - Homo sapiens | DNA polymerase beta - Homo sapiens | Vitamin D receptor - Homo sapiens |Org= Plasmodium falciparum | Mycobacterium tuberculosis H37Rv |
Org=Plasmodium falciparum | Mycobacterium tuberculosis H37Rv |
3D viewer |
Pubchem |
|
94870 |
436-32-8 |
CC1=CC(=C(C(=C1C(=O)O)O)C)OC(=O)C2=C(C(=C(C=C2C)OC)C)OC |
MIJKZXWOOXIEEU-UHFFFAOYSA-N |
374.14000 |
C20H22O7 |
1.6732 |
3 |
2 |
102.29 |
14.0 |
27 |
2 |
Depsides and depsidones as inhibitors of HIV-1 integrase: discovery of novel inhibitors through 3D database searching.|Lichen metabolites. 1. Inhibitory action against leukotriene B4 biosynthesis by a non-redox mechanism.|Microsphere-based protease assays and screening application for lethal factor and factor Xa.|Identification and characterization of mefloquine efficacy against JC virus in vitro.|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. |
Diffractaic acid|Diffractic acid|Dirbizomic acid|Dirhizomic acid|436-32-8|DIFFRACTOIC ACID|DIFFRACTANIC ACID|NSC 5901|NSC 685595|BRN 2915070|NSC5901|NSC685595|NSC-685595|Benzoic acid, 2,4-dimethoxy-3,6-dimethyl-, 4-carboxy-3-hydroxy-2,5-dimethylphenyl ester|beta-Resorcylic acid, 3,6-dimethyl-, 4-(2,4-dimethoxy-3,6-dimethylbenzoate)|Diffractasaure|Dirhizonic acid|DIFFRATIC ACID|Spectrum_000043|SpecPlus_000832|AC1Q5ULR|Spectrum2_000730|Spectrum3_001103|Spectrum4_001934|Spectrum5_000723|AC1L3T2R|BSPBio_002806|KBioGR_002309|KBioSS_000423|3-10-00-01544 (Beilstein Handbook Reference)|MLS001049104|DivK1c_006928|SPECTRUM1504118|SPBio_000660|CHEMBL367741|SCHEMBL3459615|KBio1_001872|KBio2_000423|KBio2_002991|KBio2_005559|KBio3_002026|DTXSID40195883|CHEBI:107634|MolPort-002-514-208|NSC-5901|ZINC1687273|ACM436328|CCG-39676|AKOS015969704|4-(2,4-dimethoxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,6-dimethylbenzoic acid|NCGC00095683-01|NCGC00095683-02|SMR000386936|LS-143441|A827187|SR-01000758212|SR-01000758212-2|BRD-K51370144-001-02-3|BRD-K51370144-001-06-4|4-(2,4-dimethoxy-3,6-dimethyl-benzoyl)oxy-2-hydroxy-3,6-dimethyl-benzoic acid|4-(2,4-dimethoxy-3,6-dimethyl-phenyl)carbonyloxy-3,6-dimethyl-2-oxidanyl-benzoic acid|4-(2,4-dimethoxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,6-dimethylbenzoic acid|4-(2,4-Dimethoxy-3,6-dimethylphenylcarbonyloxy)-2-hydroxy-3,6-dimethylbenzoic acid|4-(2,4-dimethoxy-3,6-dimethylphenyl)-oxomethoxy-2-hydroxy-3,6-dimethylbenzoic acid| |
| O-Coumaric Acid |
natural product |
Syringa komarowi | Aloe ferox | Sophora tometosa | Ricciocarpos natans | Aloe spicata | Parmelia pseudoreticulata | Stevia satureiaefolia | Lysimachia clethroides | Scutellaria violacea | Aster oharai | Fallopia multiflora | Iberis amara | Crocus asturicus | Rhododendron dauricum | Sarcophyton glaucum | Corydalis ochotensis | Scutellaria barbata | Thorecta marginalis | Cinnamomum cassia | Citrus limonia | Cyerce cristallina | Helenium alternifolium | Cinnamomum cassia | Erica carnea | Pseudaegle trifoliata | Piper sintenense | Eupatorium fortunei | Corydalis flabellata | Phaulopsis imbricata | Heliotropium amplexicaule | Physcia aegialita | Dichapetalum madagascariense | Stillingia sanguinolenta | Doriopsilla albopunctata | Annulusmagnus triseptatus | Teucrium trifidum | Mourera fluviatilis | Armillaria tabescens | Viburnum fur | Eupatorium pauciflorum | Ephydatia syriaca | Trapa bispinosa | Asclepias speciosa | Paeonia delavayi | Achillea pannonica | Echites hirsuta | Prumnopitys ferruginoides | Mimosa tenuiflora | Callicarpa bodinieri | Senna sophera | Polyopes affinis | Thalictrum fortunei | Spirastrella inconstans | Anthocercis genistoides | Manilkara hexandra | Periploca calophylla | Melilotus officinalis | Dendroctonus ponderosae | Citrus aurantiifolia | Pteris palmiformis | Pyura sacciformis | Diospyros crassiflora | Aphanamixis polystachya | Artemisia anomala | Huperzia lucidula | Eupatorium fortunei | Moringa stenopetala | Allium cepa | Alloascoidea hylecoeti | Foeniculum vulgare | Epimedium versicolor | Melilotus suaveolens | Justicia ghiesbreghtiana | Citrus limon | Panax notoginseng | Citrus limonia | Inulae flos | Uncaria glabrata | Aloe africana | Holboellia fargesi | Aloe vera | Medicago truncatula |
Quinone oxidoreductase - Mus musculus | Carbonic anhydrase III - Homo sapiens | Carbonic anhydrase I - Homo sapiens | Xanthine dehydrogenase - Homo sapiens | Solute carrier family 22 member 8 - Rattus norvegicus | Hydroxycarboxylic acid receptor 2 - Homo sapiens | Nuclear factor NF-kappa-B p105 subunit - Homo sapiens | Carbonic anhydrase VB - Homo sapiens | Carbonic anhydrase IV - Homo sapiens | Tyrosinase - Agaricus bisporus | Carbonic anhydrase II - Homo sapiens |Org= Mus musculus | Mycobacterium tuberculosis H37Rv | Ralstonia solanacearum | Mycobacterium bovis BCG | Mycobacterium smegmatis str. MC2 155 |
Org=Mus musculus | Mycobacterium tuberculosis H37Rv | Ralstonia solanacearum | Mycobacterium bovis BCG | Mycobacterium smegmatis str. MC2 155 |
3D viewer |
Pubchem |
1V5Z 5BNL |
637540 |
trans-2-Hydroxycinnamic acid |
C1=CC=C(C(=C1)C=CC(=O)O)O |
PMOWTIHVNWZYFI-AATRIKPKSA-N |
164.05000 |
C9H8O3 |
-0.339 |
2 |
2 |
57.53 |
4.0 |
12 |
1 |
Cinnamaldehydes inhibit cyclin dependent kinase 4/cyclin D1.|Antiallergic principles from Alpinia galanga: structural requirements of phenylpropanoids for inhibition of degranulation and release of TNF-alpha and IL-4 in RBL-2H3 cells.|Structure-activity relationships of trans-cinnamic acid derivatives on alpha-glucosidase inhibition.|Tyrosinase-inhibitory constituents from the twigs of Cinnamomum cassia.|Carbonic anhydrase inhibitors. Antioxidant polyphenols effectively inhibit mammalian isoforms I-XV.|Structure-activity relationships of trans-substituted-propenoic acid derivatives on the nicotinic acid receptor HCA2 (GPR109A). |
2-Hydroxycinnamic acid|o-Coumaric acid|614-60-8|trans-2-Hydroxycinnamic acid|2-Coumaric acid|trans-o-Hydroxycinnamic acid|trans-o-Coumaric acid|2-Coumarate|(E)-o-Hydroxycinnamic acid|2-Hydroxycinnamate|(2E)-3-(2-hydroxyphenyl)prop-2-enoic acid|3-(2-hydroxyphenyl)acrylic acid|583-17-5|o-Hydroxy-trans-cinnamic acid|trans-2-Hydroxycinnamate|(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID|(E)-3-(2-Hydroxyphenyl)-2-propenoic acid|2-Hydroxycinamic acid|2-Hydroxycinnamic acid, (E)-|CINNAMIC ACID, o-HYDROXY-, (E)-|UNII-23AU5FZB9C|(E)-2-hydroxycinnamic acid|(E)-3-(2-hydroxyphenyl)acrylic acid|CCRIS 5834|trans-2-coumaric acid|(E)-3-(2-hydroxyphenyl)prop-2-enoic acid|(2E)-3-(2-Hydroxyphenyl)-2-propenoic acid|EINECS 210-386-4|ortho-Hydroxycinnamic acid|NSC 32952|2-Propenoic acid, 3-(2-hydroxyphenyl)-, (E)-|2-Propenoic acid, 3-(2-hydroxyphenyl)-, (2E)-|BRN 1100900|23AU5FZB9C|2-Propenoic acid, 3-(2-hydroxyphenyl)-|CHEMBL52564|CHEBI:18125|PMOWTIHVNWZYFI-AATRIKPKSA-N|3-(2-hydroxyphenyl)prop-2-enoic acid|o-coumarate|MFCD00004379|2-Hydroxy Cinnamic Acid|(E)-3-(2-HYDROXY-PHENYL)-ACRYLIC ACID|cis-2-coumaric acid|2HC|cis-2-coumarate|3-(2-hydroxyphenyl)prop-2-enoate|cis-2-hydroxycinnamic acid|o-Hydroxycinnamate|trans-o-Coumarate|(2Z)-3-(2-hydroxyphenyl)acrylic acid|ortho-coumaric acid|ortho-Hydroxycinnamate|PubChem8214|(E)-Coumarinic Acid|(2Z)-3-(2-hydroxyphenyl)acrylate|AC1LCUFT|trans-o-Hydroxycinnamate|trans-ortho-coumaric acid|(E)-ortho-coumaric acid|o-Hydroxy-trans-cinnamate|(E)-o-Hydroxycinnamicacid|bmse000347|Cinnamic acid, o-hydroxy-|WLN: QV1U1R BQ|AC1Q71FE|SCHEMBL64885|QSPL 150|CHEBI:18176|2-Hydroxycinnamic acid, (2E)-|MolPort-001-641-053|ZINC895911|ALBB-025832|NSC32952|ZX-AT016055|BBL013048|BDBM50146462|NSC-32952|SBB065726|STK301745|AKOS003790794|3-(2-Hydroxyphenyl)-2-propenoic acid|CS-W013247|DB01650|MCULE-5451854573|OR40640|RTR-037283|(E)-3-(2-hydroxyphenyl)-acrylic acid|CINNAMIC ACID,2-HYDROXY (TRANS)|trans-3-(2-hydroxyphenyl)propenoic acid|AJ-24216|AN-46543|AS-12449|LS-54110|ST097457|2-Hydroxycinnamic acid, predominantly trans|TR-037283|R1101|C01772|2-Hydroxycinnamic acid, predominantly trans, 97%|614H608|C-04438|I04-0024|TRANS-2-HYDROXYCINNAMIC ACID; O-COUMARIC ACID|2-Propenoic acid, 3-(2-hydroxyphenyl)-, (E)- (9CI)|F2191-0203|90E8F55A-AB69-4720-95AF-747C2DCA5471|UNII-2S0H1PX3LM component PMOWTIHVNWZYFI-AATRIKPKSA-N| |
| 2-Methyl-(E)-2-Pentenal |
natural product |
Allium schoenoprasum | Allium azureum ledeb | Evodiae fructus | Apocyniveneti folium | Allium cepa | Foeniculum vulgare | Allium schoenoprasum |
Org=Myzus persicae |
Org=Myzus persicae |
3D viewer |
Pubchem |
|
5319754 |
623-36-9 |
CCC=C(C)C=O |
IDEYZABHVQLHAF-GQCTYLIASA-N |
98.07000 |
C6H10O |
0.4851 |
1 |
0 |
17.07 |
4.0 |
7 |
0 |
|
2-METHYL-2-PENTENAL|623-36-9|(E)-2-Methyl-2-pentenal|2-Pentenal, 2-methyl-|2-Methyl-3-ethylacrolein|2-Methyl-2-penten-1-al|2-Methyl-2-pentene-1-al|14250-96-5|2,4-Dimethylcrotonaldehyde|NSC 9464|(E)-2-methylpent-2-enal|UNII-98QAG1U530|alpha-Methyl-beta-ethylacrolein|beta-Ethyl-alpha-methylacrolein|FEMA No. 3194|.alpha.-Methyl-.beta.-ethylacrolein|EINECS 210-789-5|trans-2-Methyl-2-pentenal|2-methyl-(E)-2-pentenal|BRN 0506124|2-Methyl-2-pentenal, 97%|IDEYZABHVQLHAF-GQCTYLIASA-N|98QAG1U530|.beta.-Ethyl-.alpha.-methylacrolein|MFCD00006978|2-Methyl-2-pentenoic aldehyde|2-Pentenal, 2-methyl-, (2E)-|2-Methylpentenal (Related)|2-Methyl-2-pentenal, (2E)-|NSC9464|AC1NSYK1|EC 210-789-5|AC1Q2CA0|WLN: VHY1&U3|(E)-2-methyl-pent-2-enal|CHEMBL2270062|NSC-9464|ZINC1699996|2-Methyl-2-pentenal, >=97%, FG|AKOS015899936|FCH1117756|FCH3433542|FCH3458177|LS-2949|RP08737|2-Methyl-2-pentenal, analytical standard|AN-22007|CC-11314|CJ-28664|S740|RT-001798|M0893|A833721|C-30867|I14-1140|J-509939|UNII-947O3MC76M component IDEYZABHVQLHAF-GQCTYLIASA-N| |
| Propane-2-Thiol |
natural product |
Pisum sativum | Allium ampeloprasum | Allium cepa | Solanum lycopersicum | Solanum tuberosum | Solanum tuberosum | Phaseolus vulgaris | Bulbus allii fistulosi | Solanum lycopersicum | Solanum tuberosum | Allium ampeloprasum | Allium cepa | Phaseolus vulgaris | Pisum sativum |
Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Androgen Receptor - Homo sapiens | Interleukin-8 - Homo sapiens |
|
3D viewer |
Pubchem |
|
6364 |
75-33-2 |
CC(C)S |
KJRCEJOSASVSRA-UHFFFAOYSA-N |
76.03000 |
C3H8S |
0.5632 |
0 |
0 |
38.80 |
3.0 |
4 |
0 |
Trace determination of volatile sulfur compounds by solid-phase microextraction and GC-MS.|The stromal chloroplast Deg7 protease participates in the repair of photosystem II after photoinhibition in Arabidopsis.|Optimizing expression and purification of an ATP-binding gene gsiA from Escherichia coli k-12 by using GFP fusion.|MSMEG_2731, an uncharacterized nucleic acid binding protein from Mycobacterium smegmatis, physically interacts with RPS1. |
2-Propanethiol|ISOPROPYL MERCAPTAN|Propane-2-thiol|75-33-2|Isopropanethiol|Isopropylthiol|2-Mercaptopropane|2-Propylmercaptan|1-Methylethanethiol|Isopropylmercaptan|2-Propylthiol|UNII-E52LR62ETC|NSC 87537|Propanethiol-(2)|HSDB 625|iso-C3H7SH|EINECS 200-861-4|E52LR62ETC|AI3-22988|CHEBI:8474|KJRCEJOSASVSRA-UHFFFAOYSA-N|2-Propanethiol, 98%|propan-2-thiol|isopropyl thiol|2mercaptopropane|isopropane thiol|2-propanthiol|2-propane thiol|iPrSH|2 -propylmercaptan|AC1Q1QSV|32812-84-3|DSSTox_CID_5481|ACMC-209oy1|EC 200-861-4|AC1L1MD3|AC1Q7G8C|2-Propanethiol, >=97%|2-Propanethiol, >=98%|DSSTox_RID_77804|DSSTox_GSID_25481|KSC225O2L|CHEMBL1897156|DTXSID1025481|CTK1C5725|KS-00000USB|MolPort-003-935-617|ZINC897493|2-Propanethiol, analytical standard|NSC87537|Tox21_201170|ANW-36599|MFCD00004863|NSC-87537|2-Propanethiol, >=97.0% (GC)|AKOS000121903|LS-1661|RP18363|RTR-024240|TRA0127235|CAS-75-33-2|NCGC00091817-01|NCGC00091817-02|NCGC00258722-01|AN-23849|BP-21263|SC-92041|U039|DB-003328|TR-024240|FT-0613370|P0489|C08391|65133-EP2274983A1|65133-EP2308812A2|InChI=1/C3H8S/c1-3(2)4/h3-4H,1-2H|I09-0001|F0001-1899| |
| (+)-Usniacin |
bioactive compound |
Alectoria ochroleuca|Euonymus alatus|Boenninghausenia sessilicarpa|Centaurea balsamita|Eucomis comosa|Lobaria scrobiculata|Glycosmis macrantha|Ilex pernyi|Allium cepa|Cladonia mitis|Solanum havanense|Helleborus niger|Entada pursaetha|Lichen usnea|Vernonia echioides|Dasyscyphus nidulus|Nemuaron vieillardii|Heliophila longifolia|Ormosia henryi|Ardisia gigantifolia|Vanilla planifolia|Cyclanthera pedata|Rottlera tinctoria|Cucumis prophetarum|Euphorbia thymifolia|Xanthogaleruca luteola|Corsinia coriandrina|Lycopodium clavatum|Hispidella hispanica|Chloranthus henryi|Streptomyces ghanaensis|Bouvardia ternifolia|Scabiosa tschiliensis| |
Gen=Others|Human immunodeficiency virus type 1 integrase - Human immunodeficiency virus 1 | Protein-tyrosine phosphatase 1B - Homo sapiens | Acetylcholinesterase - Electrophorus electricus | Leukocyte elastase - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | Fructose-1,6-bisphosphatase - Homo sapiens | Cholinesterase - Equus caballus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Fructose-1,6-bisphosphatase - Sus scrofa |Org= Mus musculus | Mycobacterium tuberculosis | Plasmodium falciparum | Plasmodium berghei | Spodoptera littoralis | Plasmodium falciparum (isolate K1 / Thailand) | Influenza A virus | Escherichia coli ATCC 8739|Aldehyde dehydrogenase 1A1 - Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 - Homo sapiens | Anthrax lethal factor - Bacillus anthracis | Breast cancer type 1 susceptibility protein - Homo sapiens | Cytochrome P450 2C9 - Homo sapiens |Org= Spodoptera littoralis | Staphylococcus aureus | Candida albicans | Mycobacterium smegmatis|Org=Mycobacterium tuberculosis H37Rv |
Dis=Breast Cancer|Ductal Adenocarcinoma|Pancreatic Adenocarcinoma|Pancreatic Adenocarcinoma |Gen=Others |
3D viewer |
Pubchem |
|
442614 |
7562-61-0 |
CC1=C(C(=C2C(=C1O)C3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C)O |
|
344.32000 |
C18H16O7 |
1.087 |
4 |
3 |
121.00 |
2.0 |
25 |
3 |
(+)-Usniacin is a naturally occurring dibenzofuran derivative found in several lichen species. |
D-Usnic Acid |
| [3-Hydroxy-4,5-Bis(Hydroxymethyl)-2-(3-Methylbut-2-Enyl)Phenyl] 2,4-Dihydroxy-6-Methylbenzoate |
natural product |
Hypoxylon fragiforme | Plantago subulata | Thymus marschallianus | Pteronia eenii | Trema dielsiana | Rapanea laetevirens | Cyclamen repandum | Helicobasidium mompa | Andryala pinnatifida | Cussonia arborea | Hericium erinaceus | Stereum hirsutum | Burasaia madagascariensis | Berberis tabiensis | Ormosia sumatrana | Azolla filiculoides | Eucalyptus maideni | Allium cepa | Axinyssa isabela | Pachysandra procumbens | Aspergillus brunneus | Stictocardia campanulata |
|
|
3D viewer |
Pubchem |
|
100450 |
No Cas |
CC1=CC(=CC(=C1C(=O)OC2=C(C(=C(C(=C2)CO)CO)O)CC=C(C)C)O)O |
WTZUCTQSBSDSRG-UHFFFAOYSA-N |
388.15000 |
C21H24O7 |
0.15 |
3 |
5 |
127.45 |
15.0 |
28 |
2 |
Linkage between the gene (or genes) controlling synthesis of the fourth component of complement and the major histocompatibility complex.|Thermal copoly(amino acids) as inhibitors of glyoxalase I.|The living state and cancer.|QSAR of the inhibition of glyoxalase by S-substituted glutathiones.|Enzyme inhibitors in relation to cancer therapy.|A two-step purification of mouse liver glyoxalase I and evidence of its dimeric constitution. |
MS 3|MS-3|Glyo-I|GLYOXALASE I|BRN 2787821|58265-74-0|MS-3 (GLYOXALASE INHIBITOR)|3-hydroxy-4,5-bis(hydroxymethyl)-2-(3-methylbut-2-en-1-yl)phenyl 2,4-dihydroxy-6-methylbenzoate|beta-Resorcylic acid, 6-methyl-, 3,4-bis(hydroxymethyl)-5-hydroxy-6-(3-methyl-2-butenyl)phenyl ester|Lactoylglutathione Lyase|AC1L2OS1|AC1Q60PQ|CHEMBL2005906|CTK8D4987|DTXSID10206995|WTZUCTQSBSDSRG-UHFFFAOYSA-N|ZINC1567130|NSC302378|AKOS030530688|NSC-302378|NCI60_002553|LS-143447|3-Hydroxy-4,5-bis(hydroxymethyl)-2-prenylphenyl 2,4-dihydroxy-6-methylbenzoate|3-hydroxy-4,5-bis(hydroxymethyl)-2-(3-methylbut-2-enyl)phenyl 2,4-dihydroxy-6-methylbenzoate|2,4-Dihydroxy-6-methylbenzoic acid 3-hydroxy-4,5-bis(hydroxymethyl)-2-(3-methyl-2-butenyl)phenyl ester, 9CI|57827-79-9| |
| Quercetin 7,4'-Di-O-Beta-D-Glucopyranoside |
natural product |
Allium victorialis | Rhodomyrtus tomentosa | Solanum lycopersicum | Solanum habrochaites | Allium cepa | Allium ascalonicum | Hibiscus rosa-sinensis |
|
|
3D viewer |
Pubchem |
|
11968881 |
No Cas |
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O |
QZXHFNCQMMUANB-UINLEYECSA-N |
626.15000 |
C27H30O17 |
-6.295 |
12 |
11 |
285.75 |
18.0 |
44 |
5 |
|
Quercetin 7,4'-diglucoside|Quercetin 4',7-diglucoside|quercetin 7,4'-O-diglucoside|quercetin 4',7-O-diglucoside|CHEMBL2206210|CHEBI:131499|quercetin 4',7-O-beta-D-diglucoside|quercetin 7,4'-di-O-beta-D-glucoside|4-7-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-4-oxo-4H-1-benzopyran-2-yl-2-hydroxyphenyl beta-D-glucopyranoside|42900-82-3 |
| 2-Hydroxy-4-(2-Hydroxy-4-Methoxy-3,6-Dimethylbenzoyl)Oxy-3,6-Dimethylbenzoic Acid |
natural product |
Lycopodium clavatum | Bouvardia ternifolia | Eucomis comosa | Senecio macrospermus | Ardisia gigantifolia | Hyattella intestinalis | Entada pursaetha | Linum sativum | Piper fadyenii | Coniocarpon cinnabarinum | Allium cepa | Inocybe umbrina | Thamnosma montana | Usnea longissima |
Serine/threonine-protein kinase PLK1 - Homo sapiens | Mothers against decapentaplegic homolog 3 - Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | DNA polymerase iota - Homo sapiens | Alpha-synuclein - Homo sapiens | Vitamin D receptor - Homo sapiens | Geminin - Homo sapiens |
|
3D viewer |
Pubchem |
|
167666 |
17636-16-7 |
CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2)C)C(=O)O)O)C)O)C)OC |
NMKBRSYSHBPUPY-UHFFFAOYSA-N |
360.12000 |
C19H20O7 |
1.2647 |
3 |
3 |
113.29 |
13.0 |
26 |
2 |
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. |
Barbatic acid|17636-16-7|Benzoic acid, 2-hydroxy-4-((2-hydroxy-4-methoxy-3,6-dimethylbenzoyl)oxy)-3,6-dimethyl-|Barbatinic acid|SMR000386935|Barbatinsaure|AC1Q5ULQ|AC1L50DH|MLS000563514|MLS001049103|CHEMBL1902081|SCHEMBL18622144|CTK0I0543|DTXSID40170115|MolPort-002-517-241|HMS2270A11|ZINC1655202|NSC703214|AKOS030496239|MCULE-1958681900|NSC-703214|2-hydroxy-4-(2-hydroxy-4-methoxy-3,6-dimethylbenzoyl)oxy-3,6-dimethylbenzoic acid|NCGC00247584-01|2-hydroxy-4-(2-hydroxy-4-methoxy-3,6-dimethyl-benzoyl)oxy-3,6-dimethyl-benzoic acid|2-hydroxy-4-(2-hydroxy-4-methoxy-3,6-dimethylbenzoyl)oxy-3,6-dimethylbenzoic acid| |
| Benzyl Isothiocyanate |
natural product |
Lepidium apetalum | Descurainia sophia | Tropaeolum majus | Brassica juncea | Tropaeolum majus | Tropaeolum majus | Lepidium apetalum | Descurainia sophia | Carica papaya | Carica papaya | Brassica juncea | Brassica juncea | Lepidii semen descurainiae semen | Sinapis semen | Allium cepa | Carica papaya |
Gen=Others|Glutathione S-transferase kappa 1 - Homo sapiens | Glutathione S-transferase Mu 1 - Mus musculus | Solute carrier organic anion transporter family member 1B3 - Homo sapiens | Transient receptor potential cation channel subfamily A member 1 - Homo sapiens | Solute carrier organic anion transporter family member 1B1 - Homo sapiens | P-glycoprotein 1 - Homo sapiens | Vanilloid receptor - Homo sapiens | Nuclear receptor ROR-gamma - Mus musculus | Nuclear factor erythroid 2-related factor 2 - Homo sapiens | Cytochrome P450 3A4 - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] - Homo sapiens | Vitamin D receptor - Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 - Homo sapiens | Heat shock protein beta-1 - Homo sapiens | Macrophage migration inhibitory factor - Homo sapiens | Cytochrome P450 2B1 - Rattus norvegicus | Androgen Receptor - Homo sapiens |Org= Sclerotinia sclerotiorum | Meloidogyne javanica |
Gen=Others |
3D viewer |
Pubchem |
6EQW 4OMD 6EQX 6EQV |
2346 |
622-78-6 |
C1=CC=C(C=C1)CN=C=S |
MDKCFLQDBWCQCV-UHFFFAOYSA-N |
149.03000 |
C8H7NS |
0.0517 |
1 |
0 |
44.45 |
2.0 |
10 |
1 |
Inhibition of carcinogenesis by minor anutrient constituents of the diet.|Inhibitory effects of benzyl isothiocyanate administered shortly before diethylnitrosamine or benzo[a]pyrene on pulmonary and forestomach neoplasia in A/J mice.|Antiasthmatic effects of onion extracts--detection of benzyl- and other isothiocyanates (mustard oils) as antiasthmatic compounds of plant origin.|Inhibition of carcinogen-induced neoplasia by sodium cyanate, tert-butyl isocyanate, and benzyl isothiocyanate administered subsequent to carcinogen exposure.|Effect of alkyl chain length on inhibition of N-nitrosomethylbenzylamine-induced esophageal tumorigenesis and DNA methylation by isothiocyanates.|Structure-activity relationships of arylalkyl isothiocyanates for the inhibition of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone metabolism and the modulation of xenobiotic-metabolizing enzymes in rats and mice. |
benzyl isothiocyanate|622-78-6|(Isothiocyanatomethyl)benzene|Benzyl mustard oil|Benzylsenfoel|Benzylisothiocyanate|Tromacaps|Tromalyt|Urogran|Isothiocyanic acid, benzyl ester|Benzene, (isothiocyanatomethyl)-|Benzyl-isothiocyanate|isothiocyanatomethylbenzene|Isothiocyanic Acid Benzyl Ester|Benzylsenfoel German|AB 2 (VAN)|alpha-isothiocyanatotoluene|Isothiocyanotaomethylbenzene|isothiocyanatomethyl-benzene|UNII-871J6YOR8Q|NSC 118976|Toluene, alpha-isothiocyanato-|BITC|CCRIS 3145|EINECS 210-753-9|Benzyl isothiocyanate, 98%|BRN 0386135|(isothiocyanatomethyl)-benzene|CHEMBL55285|AI3-02736|871J6YOR8Q|AB 2|CHEBI:17484|Toluene, .alpha.-isothiocyanato-|MDKCFLQDBWCQCV-UHFFFAOYSA-N|MFCD00004819|NSC118976|Benzylsenfoel (german)|phenylmethanisothiocyanate|PMITC cpd|a-isothiocyanatotoluene|SR-05000002381|phenylmethyl isothiocyanate|Tromocaps|Benzyl isothio cyanate|PubChem14549|Spectrum_001820|SpecPlus_000684|Tromalyt active substance|AC1Q7EYE|DSSTox_CID_155|Spectrum2_000852|Spectrum3_000793|Spectrum4_001059|Spectrum5_001837|WLN: SCN1R|ACMC-209n1k|NCIMech_000859|AC1L1DH3|AC1Q7EX9|alpha-Isothiocyanato-Toluene|isothiocyanato-methyl-benzene|DSSTox_RID_75407|DSSTox_GSID_20155|SCHEMBL44145|BSPBio_002526|KBioGR_001358|KBioSS_002323|4-12-00-02276 (Beilstein Handbook Reference)|KSC250O3D|Benzene, isothiocyanatomethyl-|DivK1c_006780|SPECTRUM1503006|SPBio_000863|(Isothiocyanatomethyl)benzene #|1-(isothiocyanatomethyl)benzene|BITC, 17|Toluene, alpha -isothiocyanato-|DTXSID0020155|CTK1F0731|FEMA 4428|KBio1_001724|KBio2_002321|KBio2_004889|KBio2_007457|KBio3_001746|KS-00001PQO|TIMTEC-BB SBB002731|AKOS JY2090023|Benzyl isothiocyanate, 98%, FG|MolPort-000-147-097|OTAVA-BB 1055640|HMS1921P18|Pharmakon1600-01503006|(Isothiocyanatomethyl)benzene, 9CI|KS-00000V2U|ZERO/008132|ZINC1529592|AKOS BBS-00004442|Tox21_201191|ANW-34134|BBL013129|BDBM50240520|CCG-35868|NSC758206|SBB002731|STK399787|AKOS000212138|AS04379|LS-7216|LS11773|MCULE-5989558191|NSC-118976|NSC-758206|RTR-033289|SDCCGMLS-0066697.P001|QTL1_000013|NCGC00094982-01|NCGC00094982-02|NCGC00094982-03|NCGC00094982-04|NCGC00258743-01|Benzyl isothiocyanate, analytical standard|BP-12924|CAS-622-78-6|CJ-23924|NCI60_000455|PS-10308|SC-13625|SBI-0052749.P002|DB-022613|TL8004089|TR-033289|FT-0622167|I0224|ST50214559|C03098|AB00053249_03|I09-2433|J-650076|SR-05000002381-1|SR-05000002381-2|F0001-1663|58019-05-9| |
| Apocynin |
anticancer |
Allium cepa|Bursera tonkinensis|Stellaria dichotoma|Oroxylum indicum|Phebalium clavatum|Artemisia giraldii|Croton urucurana|Anastatica hierochuntica|Artemisia latifolia|Ventilago madraspatana|Trichilia catigua|Pellina semitubulosa|Centaurea ferox|Hortonia floribunda|Dendrocalamus strictus|Conocarpus erectus|Sorbaria arborea|Cynanchum wilfordii|Vincetoxicum atratum|Hedysarum coronarium|Thalictrum podocarpum|Helichrysum splendidum|Fabiana imbricata|Meliosma wightii|Penicillium cyclopium|Scandix pecten-veneris|Lethariella sinensis|Radix cynanchi paniculati|Unona lawii|Russula lepida|Uruparia lanosa|Violsse herba|Turbina corymbosa|Campanula hypopolia|Chasmanthera dependens|Radix cynanchi|Pteris cretica|Syzygium levinei|Penicillium expansum|Pinus resinosa|Picrorhizae rhizoma|Phyllanthus tenellus|Diospyros glaucifolia|Hesperocyparis bakeri|Iridis tectori rhizoma|Urginea riparia|Perymenium mendezii|Philadelphus coronarius|Polygala fruticosa|Belamcandae rhizome|Gossypium herbaceum|Crepis czerepanovii|Achillea atrata|Apocyniveneti folium|Paeonia rockii|Pertusaria amara|Gypsophila licentiana hand.-mazz.|Apocynum cannabinum|Dendrobium gibsonii|Cortex moutan|Acacia suaveolens|Hymenoxys grandiflora|Radix bupleuri|Picrorhiza scrophulariiflora|Cordyceps sinensis|Neofusicoccum mangiferae|Picea glauca|Achlys triphylla|Iris sp|Polyporus fomentarius|Indigofera tinctoria|Ceratostigma willmottianum|Cynanchum atratum|Bromelia pinguin|Stereocaulon corticulatum|Imperata cylindrica|Lactuca laciniata|Apocynum androsaemifolium|Randia formosa|Larix lyallii|Iris tectorum|Periplaneta americana|Garcinia ovalifolia|Senecio miser|Isatis tinctoria|Calystegia pubescens|Picrorhiza kurrooa|Polypodium niponicum|Paenibacillus thiaminolyticus|Aconitum liljestrandii|Phragmatobia fuliginosa|Lampranthus sociorum|Pterocarpus macrocarpus|Neopicrorhiza scrophulariiflora|Alcyonium coralloides|Cylindropuntia leptocaulis|Alectoria ochroleuca|Thea sasanqua|Sargentodoxa cuneata|Bulbophyllum protractum|Rubus occidentalis|Dendrobates auratus|Tarchonanthus camphoratus|Zingiber officinale|Axinella polypoides|Metapochonia suchlasporia|Elymnias thryallis|Cypripedium calceolus|Eupatoriastrum nelsonii|Flemingia philippinensis|Artemisia porrecta|Funtumia africana|Iris sp.|Trichoplusia ni|Kielmeyera rubriflora|Nauclea rhynchophylla|Albizia procera|Othonna tagetes|Parmelia amphixanthoides|Harpullia ramiflora|Magnolia fraseri|Maackia floribunda|Betonica grandiflora|Picea engelmannii|Jacobaea othonnae|Corydalis pallida|Huperzia selago|Lupinus pilosus|Melanargia galathea|Dysidea chlorea|Merremia quinquefolia|Helicoon richonis|Millettia pinnata|Hydroclathrus tenuis|Tripteris microcarpa|Marsupella aquatica|Chiloscyphus rivularis|Simaba cuneata|Agave cocui|Sonchus macrocarpus|Thalictrum aquilegiifolium|Phakellia flabellata|Phyllosticta cirsii|Mesembryanthemum tortuosum|Pteris pedata |
Gen=NADPH-oxidase|Geminin - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens |Org= Hamster | Cricetinae gen. sp. |
Dis=Hepatobiliary Cancer|Hepatoma|Gen=Others |
3D viewer |
Pubchem |
3TBC |
2214 |
498-02-2 |
CC(=O)C1=CC(=C(C=C1)O)OC |
DFYRUELUNQRZTB-UHFFFAOYSA-N |
166.17000 |
C9H10O3 |
1.311 |
2 |
1 |
46.50 |
2.0 |
12 |
1 |
Apocynin is a selective NADPH-oxidase inhibitor with IC50 of 10 ?M. |
Acetovanillone |
| 5-Hydroxymethyl-Furfural |
natural product |
Allium cepa|Rehmannia glutinosa|Curculigo orchioides|Scrophularia buergeriana|Kansui radix|Toosendan fructus|Radix clematidis|Tithonia rotundifolia|Dendrobium candidum|Scrophularia ningpoensis|Smilacis glabrae rhixoma|Citrus reticulata|Stellaria dichotoma|Dendrobium chrysanthum|Sraitia grosvenorii|Bolbostemae paniculati bulbus|Polygonati odorati rhizoma|Aconitum bullatifolium|Dendrobium chrysotoxum|Trichosanthes bracteata|Lepidii semen descurainiae semen|Gypsophila licentiana hand.-mazz.|Aka coralliphagum|Dendrobium fimbriatum|Trichosanthes kirilowii|Smilax scodinicaulis|Carthami flos|Forficula auricularia|Dendrobium loddigesii|Trichosanthes rosthornii|Acori tataninowii rhizoma|Amomum neoaurantiacum|Hymenoxys microcephala|Dendrobium nobile|Rhizoma homalomenae occultae|Rehmanniae radix praeparata|Cichorii radix|Cronquistia pringlei|Dioscorea polystachya|Jatropha curcas|Semiaquilegiae radix|Chaenomeles sinensis|Xanthium strumarium|Dioscorea japonica|Fructus galangae|Polygonati rhizoma|Lasiosphaera seu calvatia|Lygodium reticulatum|Dioscorea opposita|Rhizoma dioscoreae hypoglaucae|Imperatae rhizoma|Ephedra herba|Chondria oppositiclada|Euphorbia hirta|Rhizoma acori graminei|Achyranthis bidentatae radix|Swertia cuneata|Homalomena occulta|Herba serissae|Meliae cortex|Mentzelia arborescens|Imperata cylindrica|Radix adenophorae|Citri exocarpium rubrum|Chamaecyparis pisifera|Isatis tinctoria|Clerodendron cyrtophyllum|Asparagi radix|Aconitum zuccarini|Liriope muscari|Clerodendrum trichotomum|Schisandrae chinensis fructus|Tecoma heptaphylla|Lobelia chinensis|Asparagus cochinchinensis|Alisma plantago-aquatica subsp. orientale|Saussurea cordifolia|Lycium barbarum|Herba cichorii|Eleutherococcus senticosus|Schefflera divaricata|Lycium chinense|Dioscorea collettii var. hypoglauca|Achyranthes bidentata|Parmelia pokornyi|Sclerodoris tanya|Achyranthes fauriei|Cortinarius vinosipes|Liquidambar orientalis|Achyranthes japonica|Ophiopogon japonicus|Juniperus rigida|Ziziphus jujuba var. spinosa|Acorus calamus|Pinellia ternata|Sparganii rhizoma|Polygonatum cyrtonema|Caulis akebiae|Fructus mori|Acorus gramineus|Polygonatum falcatum|Hordei fructus germinatus|Acorus tatarinowii|Polygonatum kingianum|Ranunculi ternati radix|Atractylodes chinensis|Albizia julibrissin|Polygonatum sibiricum|Scrophularia nodosa|Cornus officinalis|Anemarrhena asphodeloides|Persicaria perfoliata|Isatdis radix|Codonopsis pilosula|Saussurea costus|Carthamus tinctorius|Prunus mume|Arum ternatum thunb|Eucommia ulmoides|Ranunculus ternatus|Lobeliae chinensis herba|Pogostemon cablin|Codonopsis pilosula subsp. tangshen|Codonopsis radix|Alisma orientalis|Rhododendron dauricum|Trichosanthes kirilowii maxim|Clematis chinensis|Crocus sativus|Schisandra chinensis|Drynariae rhizoma |
Aldose reductase - Rattus norvegicus | Nuclear receptor ROR-gamma - Homo sapiens | Glucocorticoid receptor - Homo sapiens | Aldehyde dehydrogenase 1A1 - Homo sapiens | Thyroid stimulating hormone receptor - Homo sapiens |Org= Meloidogyne incognita | Bacillus subtilis | Staphylococcus aureus | Meloidogyne javanica | Escherichia coli | Saccharomyces cerevisiae |
Dis=Hepatobiliary Cancer|Hepatoma|Org=Meloidogyne incognita | Bacillus subtilis | Staphylococcus aureus | Meloidogyne javanica | Escherichia coli | Saccharomyces cerevisiae |
3D viewer |
Pubchem |
1QXE 5URC |
237332 |
67-47-0 |
C1=C(OC(=C1)C=O)CO |
NOEGNKMFWQHSLB-UHFFFAOYSA-N |
126.03000 |
C6H6O3 |
-0.7952 |
2 |
1 |
50.44 |
3.0 |
9 |
1 |
The use of different time/temperature combinations in the optimization of sterilization of Ringers/glucose infusion solution.|Aging of proteins: immunological detection of a glucose-derived pyrrole formed during maillard reaction in vivo.|A sensitive high performance liquid chromatographic method for determining small amounts of glycosylproteins.|Nonenzymatic glycation of human platelet membrane proteins in vitro and in vivo.|Free epsilon amino groups and 5-hydroxymethylfurfural contents in clear and cataractous human lenses.|Nonenzymatic glycation of immunoglobulins leads to an impairment of immunoreactivity. |
5-HYDROXYMETHYLFURFURAL|67-47-0|5-(hydroxymethyl)furan-2-carbaldehyde|5-(Hydroxymethyl)furfural|5-Hydroxymethyl-2-furaldehyde|5-(Hydroxymethyl)-2-furaldehyde|Hydroxymethylfurfural|5-(Hydroxymethyl)-2-furfural|5-Oxymethylfurfurole|5-Hydroxymethylfuraldehyde|Hydroxymethylfurfurole|5-Hydroxymethylfuran-2-aldehyde|Hydroxymethylfurfuraldehyde|Hydroxymethylfurfuralaldehyde|2-Hydroxymethyl-5-furfural|5-Hydroxymethyl-2-formylfuran|5-(Hydroxymethyl)-2-furancarbonal|5-(Hydroxymethyl)-2-furfuraldehyde|2-Furancarboxaldehyde, 5-(hydroxymethyl)-|5-Hydroxymethylfurfuraldehyde|5-hydroxymethyl furfural|5-HYDROXYMETHYL-FURFURAL|5-(Hyddroxymethyl)furfurole|5-Hydroxymethyl-2-furfural|5-(Hydroxymethyl)-2-furancarboxaldehyde|5-Hydroxymethyl-2-furancarboxaldehyde|HMF|2-Furaldehyde, 5-(hydroxymethyl)-|5-(Hydroxymethyl)furan-2-aldehyde|5-Hydroxymethyl-2-furancarbaldehyde|5-HMF|UNII-70ETD81LF0|NSC 40738|CCRIS 3160|CHEBI:412516|EINECS 200-654-9|5-(Hydroxymethyl)furfurole|BRN 0110889|70ETD81LF0|5-(Hydroxymethyl)-2-formylfuran|NOEGNKMFWQHSLB-UHFFFAOYSA-N|5-Hydroxymethyl-furan-2-carbaldehyde|MFCD00003234|5-(Hydroxymethyl)furan-2-carboxaldehyde|DSSTox_CID_10428|DSSTox_RID_78848|DSSTox_GSID_30428|5-(Hydroxymethyl)furfural, 98%|CAS-67-47-0|Aes 103|5-Hydroxymethyl-2-furfuraldehyde|HSDB 7982|5-methylolfurfural|5-hydromethyl-furfural|5-Hydrxoymethylfurfural|5-formylfurfuryl alcohol|AC1L5YKE|5-hydroxy methyl furfural|ACMC-1BG6F|Epitope ID:136033|5-Hydroxymethyl furaldehyde|CBiol_000485|SCHEMBL19176|5-18-01-00130 (Beilstein Handbook Reference)|KSC495A5B|MLS002454379|2-formyl-5-hydroxymethylfuran|AC1Q7C10|CHEMBL185885|QSPL 022|DTXSID3030428|CTK3J5050|ZINC900788|5-hydroxymethylfuran-2-carbaldehyde|ACN-S003116|CS-D1116|HY-Y0051|NSC40738|Tox21_201892|Tox21_303551|AN-715|ANW-35343|BBL100102|CH-667|GEO-01528|ICCB3_000133|NSC-40738|SBB004259|STL451297|5-Hydroxymethyl-2-furaldehyde, 99%|5-(hydroxymethyl)-2-furfural (HMF)|AKOS005166879|AC-1262|DB12298|GS-3074|LS-1562|MCULE-9029574240|RP19668|RTR-022657|TRA0042696|5-(hydroxymethyl)-furan-2-carbaldehyde|NCGC00091513-01|NCGC00091513-02|NCGC00257266-01|NCGC00259441-01|4CN-0758|5-(hydroxymethyl)-2-furan-carboxaldehyde|5-(Hydroxymethyl)furfural, >=99%, FG|AJ-24320|AK-26249|BC219476|BR-26249|CJ-04519|L782|SC-22154|SMR000393981|ST056380|SY010869|ZB015231|5-(hydroxy methyl) 2-furan-carboxaldehyde|AB0007209|DB-007058|ST2411674|TR-022657|A9037|AM20100616|FT-0080682|FT-0600483|N1335|EN300-82764|MFCD00003234 (98%)|5-(Hydroxymethyl)furfural, analytical standard|67H470|C11101|I14-0203|Q-200545|I14-22137|F2191-0155|Z1741972784|InChI=1/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H| |
| Isorhamnetin 3-Glucoside |
natural product |
Salsola oppositifolia|Kandelia candel|Aster koraiensis|Schleichera trijuga|Wedelia prostrata|Munronia delavayi|Echinosophora koreensis|Glycosmis ovoidea|Coleus esquirolii|Suillus bovinus|Melaleuca cuticularis|Vitex agnus-castus|Philydrum lanuginosum|Bellium bellidioides|Vachellia pennatula|Crocus sativus|Centaurea calcitrapa|Coprinellus flocculosus|Centaurea corcubionensis|Salvia munzii|Angelica taiwaniana|Khaya grandifoliola|Lithospermum officinale|Rhytidoponera metallica|Neonectria candida|Licaria armeniaca|Aspergillus giganteus|Leucas neufliseana|Calendula officinalis|Magnolia pterocarpa|Leishmania major|Senecio densiflorus|Artemisia anomala|Wikstroemia chamaedaphne|Salvia cyanescens|Mabea fistulifera|Pedicularis procera|Descurainia sophia|Spongia bilamellata|Lactobacillus delbrueckii subsp. bulgaricus|Strombus gigas|Cycas armstrongii|Garcinia morella|Kielmeyera coriacea|Liparis loeselii|Cystoseira mediterranea|Dorstenia barteri|Artemisia capillaris|Tecoma pentaphylla|Zanthoxylum bungeanum|Folium ilicis cornutae|Typha domingensis|Peucedanum praeruptorum|Anthopleura xanthogrammica|Roccella fucoides|Artemisiae scopariae herba|Trachelospermum lucidum|Ipomoea muricata|Raukaua simplex|Dendrophthoe falcata|Viscum angulatum heyne|Craibiodendron yunnanense|Stigmatella erecta|Erica glauca|Eutreptia viridis|Mammillaria magnimamma|Schultesia guianensis|Marrubium velutinum|Aplysia punctata|Ginkgo biloba|Senecio ambraceus|Elegia deusta|Anaxagorea dolichocarpa|Melanelixia fuliginosa subsp. glabratula|Embelia ribes|Hippophae fructus|Astragalus cicer|Monanchora pulchra|Triclisia subcordata|Burkholderia pyrrocinia|Chrysanthemi flos|Calicotome villosa|Solanum transcaucasicum|Tetragonia tetragonioides|sarracenia purpurea|Teucrium heterophyllum|Radix bupleuri|Ulmus americana|Aspergillus fischeri|Allium neapolitanum|Corydalis densiflora|Napoleonaea vogelii|Allium cepa|Cycas revoluta|Sarcococca vagans|Quercus suber|Astragalus adsurgens|Jacobaea vulgaris|Desmodium canadense|Matricaria suffruticosa|Mahonia simonsii|Trichilia hirta|Chelidonium majus|Baccharis sagittalis|Aspilia parvifolia|Gloiopeltis furcata|Dorycnium suffruticosum|Dalbergia congestiflora|Cedrela fissilis|Baccharis thesioides|Wilcoxia viperina|Alexandrium hiranoi|Cuscuta australis|Plectocephalus chilensis|Xanthoria aureola|Udotea petiolata|Bonnetia dinizii|Cuscuta chinensis|Artemisia apiacea|Consolida hohenackeri|Dendroaspis angusticeps|Chelonia japonica|Foeniculum vulgare|Oricia gabonensis|Reaumuria hirtella|Coniochaeta saccardoi|Sida veronicaefolia|Hippophae rhamnoides|Eupatorium petiolare|Dendrobates azureus|Veronica chamaedrys|Nelumbo nucifera|Aglaia tsangii|Platonia insignis|Dasystenella acanthina|Paenibacillus macerans|Pseudocyphellaria faveolata|Ephedra aphylla|Didymium bahiense|Metapenaeus bennettae|Plexaurella nutans|Cynara humilis|Litsea glutinosa|Garcinia intermedia|Sorbaria sorbifolia|Byssothecium obiones|Barringtonia acutangula |
Cholinesterase - Equus caballus | Tyrosinase - Agaricus bisporus | Acetylcholinesterase - Electrophorus electricus | Aldose reductase - Rattus norvegicus |
Dis=Breast Cancer|Ductal Adenocarcinoma |
3D viewer |
Pubchem |
|
5318645 |
isorhamnetin 3-O-glucoside |
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O |
CQLRUIIRRZYHHS-LFXZADKFSA-N |
478.11000 |
C22H22O12 |
-4.4836 |
7 |
7 |
195.60 |
13.0 |
34 |
4 |
The flavonoids, quercetin and isorhamnetin 3-O-acylglucosides diminish neutrophil oxidative metabolism and lipid peroxidation.|Identification of tyrosinase inhibitors from Marrubium velutinum and Marrubium cylleneum.|Flavonoid glycosides isolated from Salicornia herbacea inhibit matrix metalloproteinase in HT1080 cells.|Protective effect of isorhamnetin 3-O-beta-D-glucopyranoside from Salicornia herbacea against oxidation-induced cell damage.|Relationship between the structures of flavonoids and their NF-?B-dependent transcriptional activities.|Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine. |
isorhamnetin-3-O-glucoside|5041-82-7|isorhamnetin 3-O-glucoside|Isorhamnetin-3-O-beta-D-Glucoside|UNII-BI252A6EPL|isorhamnetin 3-O-beta-D-glucopyranoside|BI252A6EPL|Isorhamnetin 3-glucoside|CHEMBL234316|CHEBI:75750|Isorhamnetin-3-O-?-D-Glucoside|Isorhamnetin 3-O-beta-D-glucoside|AC1NSX4O|Isorhamnetin-3-Oglucoside|4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-|SCHEMBL2025447|CQLRUIIRRZYHHS-LFXZADKFSA-N|Isorhamnetin-3-O-beta-D-Glucosid|Isorhamnetin-3-O-|A-D-Glucoside|HY-N0777|ZINC4349394|8156AH|BDBM50379283|AKOS032948993|CCG-208394|CS-5409|Isorhamnetin-3-O-beta-D-glucopyranoside|NCGC00163573-01|4CN-2917|AB0110057|ISORHAMNETIN-3-O-| cent-D-GLUCOSIDE|FT-0635519|ISORHAMNETIN-3-O-?-D-GLUCOPYRANOSIDE|041I827|C-57843|SR-05000002275|SR-05000002275-2|5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside|158560-08-8|30324-66-4|30329-35-2|31712-50-2|4H-1-Benzopyran-4-one, 3-(.beta.-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-|4H-1-Benzopyran-4-one,3-(b-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-|5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one|5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yloxychromen-4-one|5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl .beta.-D-glucopyranoside|61247-98-1|885458-68-4| |
| Apocynin |
clinical |
Allium cepa|Bursera tonkinensis|Stellaria dichotoma|Oroxylum indicum|Phebalium clavatum|Artemisia giraldii|Croton urucurana|Anastatica hierochuntica|Artemisia latifolia|Ventilago madraspatana|Trichilia catigua|Pellina semitubulosa|Centaurea ferox|Hortonia floribunda|Dendrocalamus strictus|Conocarpus erectus|Sorbaria arborea|Cynanchum wilfordii|Vincetoxicum atratum|Hedysarum coronarium|Thalictrum podocarpum|Helichrysum splendidum|Fabiana imbricata|Meliosma wightii|Penicillium cyclopium|Scandix pecten-veneris|Lethariella sinensis|Radix cynanchi paniculati|Unona lawii|Russula lepida|Uruparia lanosa|Violsse herba|Turbina corymbosa|Campanula hypopolia|Chasmanthera dependens|Radix cynanchi|Pteris cretica|Syzygium levinei|Penicillium expansum|Pinus resinosa|Picrorhizae rhizoma|Phyllanthus tenellus|Diospyros glaucifolia|Hesperocyparis bakeri|Iridis tectori rhizoma|Urginea riparia|Perymenium mendezii|Philadelphus coronarius|Polygala fruticosa|Belamcandae rhizome|Gossypium herbaceum|Crepis czerepanovii|Achillea atrata|Apocyniveneti folium|Paeonia rockii|Pertusaria amara|Gypsophila licentiana hand.-mazz.|Apocynum cannabinum|Dendrobium gibsonii|Cortex moutan|Acacia suaveolens|Hymenoxys grandiflora|Radix bupleuri|Picrorhiza scrophulariiflora|Cordyceps sinensis|Neofusicoccum mangiferae|Picea glauca|Achlys triphylla|Iris sp|Polyporus fomentarius|Indigofera tinctoria|Ceratostigma willmottianum|Cynanchum atratum|Bromelia pinguin|Stereocaulon corticulatum|Imperata cylindrica|Lactuca laciniata|Apocynum androsaemifolium|Randia formosa|Larix lyallii|Iris tectorum|Periplaneta americana|Garcinia ovalifolia|Senecio miser|Isatis tinctoria|Calystegia pubescens|Picrorhiza kurrooa|Polypodium niponicum|Paenibacillus thiaminolyticus|Aconitum liljestrandii|Phragmatobia fuliginosa|Lampranthus sociorum|Pterocarpus macrocarpus|Neopicrorhiza scrophulariiflora|Alcyonium coralloides|Cylindropuntia leptocaulis|Alectoria ochroleuca|Thea sasanqua|Sargentodoxa cuneata|Bulbophyllum protractum|Rubus occidentalis|Dendrobates auratus|Tarchonanthus camphoratus|Zingiber officinale|Axinella polypoides|Metapochonia suchlasporia|Elymnias thryallis|Cypripedium calceolus|Eupatoriastrum nelsonii|Flemingia philippinensis|Artemisia porrecta|Funtumia africana|Iris sp.|Trichoplusia ni|Kielmeyera rubriflora|Nauclea rhynchophylla|Albizia procera|Othonna tagetes|Parmelia amphixanthoides|Harpullia ramiflora|Magnolia fraseri|Maackia floribunda|Betonica grandiflora|Picea engelmannii|Jacobaea othonnae|Corydalis pallida|Huperzia selago|Lupinus pilosus|Melanargia galathea|Dysidea chlorea|Merremia quinquefolia|Helicoon richonis|Millettia pinnata|Hydroclathrus tenuis|Tripteris microcarpa|Marsupella aquatica|Chiloscyphus rivularis|Simaba cuneata|Agave cocui|Sonchus macrocarpus|Thalictrum aquilegiifolium|Phakellia flabellata|Phyllosticta cirsii|Mesembryanthemum tortuosum|Pteris pedata |
Gen=NADPH-oxidase|Geminin - Homo sapiens | Chromobox protein homolog 1 - Homo sapiens |Org= Hamster | Cricetinae gen. sp. |
Dis=Hepatobiliary Cancer|Hepatoma|Gen=Others |
3D viewer |
Pubchem |
3TBC |
2214 |
498-02-2 |
CC(=O)C1=CC(=C(C=C1)O)OC |
DFYRUELUNQRZTB-UHFFFAOYSA-N |
166.17000 |
C9H10O3 |
1.311 |
2 |
1 |
46.50 |
2.0 |
12 |
1 |
Apocynin is a selective NADPH-oxidase inhibitor with IC50 of 10 ?M. |
Acetovanillone |
| 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 |