| Compound | Ixocarpalactone A |
| NPACT-Id | NPACT00686 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | 327287 |
| Class | Steroids |
| In-vitro anticancer activity | 7 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | E2F1 | TFDP1 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | PHBPDHFIJFLEGD-UHFFFAOYSA-N |
| InChi | 1S/C28H40O8/c1-12-13(2)24(33)35-21(12)23(32)27(5,34)22-17(29)11-16-14-10-20-28(36-20)19(31)7-6-18(30)26(28,4)15(14)8-9-25(16,22)3/h6-7,12-17,19-23,29,31-32,34H,8-11H2,1-5H3 |
| SMILES | O1[C@@]23[C@]([C@@H]4[C@@H]([C@H]5[C@@]([C@@H]([C@H](O)C5)[C@@](O)([C@@H](O)[C@@H]5OC(=O)[C@@H]([C@H]5C)C)C)(CC4)C)C[C@@H]12)(C)C(=O)C=C[C@@H]3O |
|
SMART | [H]O[C@@]([H])([C@]1([H])OC(=O)[C@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])[H])[C@@](O[H])(C([H])([H])[H])[C@]1([H])[C@]([H])(O[H])C([H])([H])[C@@]2([H])[C@@]3([H])C([H])([H])[C@@]4([H])O[C@]44[C@@]([H])(O[H])C([H])=C([H])C(=O)[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H] |
| CAS No. | 71801-45-1 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C516621 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | No |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |