| Compound | Gitoxigenin |
| NPACT-Id | NPACT00621 |
| IUPAC | 3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one |
| Synonyms | - |
| PubChem Id | 348482 |
| Class | Steroids |
| In-vitro anticancer activity | 3 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | PVAMXWLZJKTXFW-VQMOFDJESA-N |
| InChi | 1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-16(21)6-8-22(2)20(13-9-19(26)28-12-13)18(25)11-23(17,22)27/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16+,17-,18+,20+,21+,22-,23+/m1/s1 |
| SMILES | O[C@@]12[C@H]3[C@@H]([C@@]4([C@H](CC3)C[C@@H](O)CC4)C)CC[C@@]1([C@H]([C@@H](O)C2)C1=CC(=O)OC1)C |
|
SMART | [H]O[C@@]1([H])C([H])([H])[C@]2(O[H])[C@]3([H])C([H])([H])C([H])([H])[C@]4([H])C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]1([H])C1=C([H])C(=O)OC1([H])[H] |
| CAS No. | 545-26-6 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | 000545266 |
| CTD | C007846 |
| HIT | - |
| NCI-60 GI50 data | 545-26-6 |
| Suppliers | ABI Chem, Ambinter, ChemExper Chemical Directory, MolPort, Sigma-Aldrich, 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 |