| Compound | Rotenone |
| NPACT-Id | NPACT00929 |
| IUPAC | - |
| Synonyms | Derris |
| PubChem Id | 6758 |
| Class | Flavonoid |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | CYP19A1 | NDUFS1 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | JUVIOZPCNVVQFO-HBGVWJBISA-N |
| InChi | 1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1 |
| SMILES | O1[C@H]2[C@H](c3c(OC2)cc(OC)c(OC)c3)C(=O)c2c1c1C[C@@H](Oc1cc2)C(=C)C |
|
SMART | [H]C([H])=C(C([H])([H])[H])[C@]1([H])OC2=C(C3=C(C([H])=C2[H])C(=O)[C@@]2([H])C4=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C4OC([H])([H])[C@@]2([H])O3)C1([H])[H] |
| CAS No. | - |
|
Structure
Download | 
|
| Cross Refrence in other databases |
| Super Natural | 000083794 |
| CTD | D012402 |
| HIT | C0444 |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, AKos Consulting & Solutions, Ambinter, Calbiochem, ChemExper Chemical Directory, MolPort, Sigma-Aldrich, TimTec, |
| 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 |