| Compound | 4-beta ,7-beta ,20R-trihydroxy-1-oxowitha-2,5-dien-22,26-olide |
| NPACT-Id | NPACT01411 |
| IUPAC | (3R,4S)-6-[(1R)-1-[(4S,7R,8S,9S,10R,13S,14S)-4,7-dihydroxy-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-1-hydroxyethyl]-3,4-dimethyloxan-2-one |
| Synonyms | - |
| PubChem Id | 10950818 |
| Class | Steroids |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | CGYUTYKMMISEJC-SWMFAJLCSA-N |
| InChi | 1S/C28H40O6/c1-14-12-23(34-25(32)15(14)2)28(5,33)21-8-6-16-24-17(10-11-26(16,21)3)27(4)18(13-20(24)30)19(29)7-9-22(27)31/h7,9,13-17,19-21,23-24,29-30,33H,6,8,10-12H2,1-5H3/t14-,15+,16-,17-,19-,20-,21?,23?,24-,26-,27+,28+/m0/s1 |
| SMILES | O[C@](C1[C@@]2([C@H]([C@H]3[C@H](CC2)[C@@]2(C(=C[C@@H]3O)[C@@H](O)C=CC2=O)C)CC1)C)(C1OC(=O)[C@@H]([C@H](C1)C)C)C |
|
SMART | [#6][C@H]1CC(OC(=O)[C@@H]1[#6])[C@]([#6])(O)C1CC[C@H]2[C@@H]3[C@@H](O)C=C4[C@@H](O)C=CC(=O)[C@]4([#6])[C@H]3CC[C@]12[#6] |
| CAS No. | - |
|
Structure
Download | 
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| Suppliers | NA, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | No |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |