| Compound | 6-Shogaol |
| NPACT-Id | NPACT00194 |
| IUPAC | ?(E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one |
| Synonyms | 6-Shogaol;(6)-Shogaol;[6]-Shogaol;4-DECEN-3-ONE, 1-(4-HYDROXY-3-METHOXYPHENYL)- |
| PubChem Id | 5281794 |
| Class | Organic chemical |
| In-vitro anticancer activity | 4 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | IL8 | MMP9 | NFKB1 | PLAU | TIMP1 | VEGFA | All | |
| Properties | Physical Elemental Topological |
| InChi Key | OQWKEEOHDMUXEO-BQYQJAHWSA-N |
| InChi | 1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+ |
| SMILES | O(c1cc(CCC(=O)/C=C/CCCCC)ccc1O)C |
|
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])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] |
| CAS No. | 555-66-8 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C040115 |
| HIT | C0058 |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, Ambinter, ChemMol, IS Chemical Technology, R&D Chemicals, ZINC, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | Yes |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |