| Compound | Rotenolone |
| NPACT-Id | NPACT00928 |
| IUPAC | - |
| Synonyms | (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6ah)-one, 1,2,12,12a-alpha-tetrahydro-6a-alpha-hydroxy-2-alpha-isopropenyl-8,9-dimethoxy-6ab,12ab-Rotenolone |
| PubChem Id | 68184 |
| Class | Flavonoid |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | JFVKWCYZKMUTLH-AYPBNUJASA-N |
| InChi | 1S/C23H22O7/c1-11(2)16-7-13-15(29-16)6-5-12-21(13)30-20-10-28-17-9-19(27-4)18(26-3)8-14(17)23(20,25)22(12)24/h5-6,8-9,16,20,25H,1,7,10H2,2-4H3/t16-,20-,23-/m1/s1 |
| SMILES | O1[C@H]2[C@](O)(c3c(OC2)cc(OC)c(OC)c3)C(=O)c2c1c1C[C@@H](Oc1cc2)C(=C)C |
|
SMART | [H]O[C@@]12C(=O)C3=C(O[C@]1([H])C([H])([H])OC1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C21)C1=C(O[C@@]([H])(C(=C(/[H])[H])C([H])([H])[H])C1([H])[H])C([H])=C3[H] |
| CAS No. | 509-96-6 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C028404 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | AAA Chemistry, ABI Chem, Kingston Chemistry, |
| 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 |