Compound | 8-Gingerol |
NPACT-Id | NPACT00204 |
IUPAC | 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one |
Synonyms | 8-Gingerol ;3-Dodecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl);5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one |
PubChem Id | 5275725 |
Class | Organic chemical |
In-vitro anticancer activity | 4 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | BCIWKKMTBRYQJU-UHFFFAOYSA-N |
InChi | 1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3 |
SMILES | O[C@@H](CCCCCCC)CC(=O)CCc1cc(OC)c(O)cc1 |
SMART | [H]OC1=C(OC([H])([H])[H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])C(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] |
CAS No. | 23513-08-8 |
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Structure Download |
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Cross Refrence in other databases |
Super Natural | - |
CTD | C534464 |
HIT | - |
NCI-60 GI50 data | - |
Suppliers | ABI Chem, ChemFrog, |
Drug-Likeliness Filters | Lipinski's rule of five | Yes |
Ghose filter | Yes |
Veber filter | No |
Muegge Filter | Yes |
Similarity Search | Human metabolite database | FDA approved drugs |