| Compound | (4R,6R)-dihydroxy-4-[10(Z)-heptadecenyl]-2-cyclohexenone |
| NPACT-Id | NPACT00020 |
| IUPAC | (4R,6S)-4-[(Z)-heptadec-10-enyl]-4,6-dihydroxycyclohex-2-en-1-one |
| Synonyms | - |
| PubChem Id | 10021708 |
| Class | Simple aromatic natural products |
| In-vitro anticancer activity | 5 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | QGMORWLDWJPVQC-CHXUTICSSA-N |
| InChi | 1S/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23(26)19-17-21(24)22(25)20-23/h7-8,17,19,22,25-26H,2-6,9-16,18,20H2,1H3/b8-7-/t22-,23-/m0/s1 |
| SMILES | O[C@]1(CCCCCCCCC/C=CCCCCCC)C[C@H](O)C(=O)C=C1 |
|
SMART | [H]O[C@]1([H])C(=O)C([H])=C([H])[C@@](O[H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C1([H])[H] |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | NA, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | No |
| Veber filter | No |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |