| Compound | Ent-8,9-Seco-7-alpha-hydroxy-11-acetoxykaura-8(14),16-dien-9,15-dione |
| NPACT-Id | NPACT00534 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | 6398572 |
| Class | Terpenoids |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | WJAMERXGFWVGIW-QWXPOLKHSA-N |
| InChi | 1S/C22H30O5/c1-12-14-9-15(19(12)25)16(24)11-18-21(3,4)7-6-8-22(18,5)20(26)17(10-14)27-13(2)23/h9,14,16-18,24H,1,6-8,10-11H2,2-5H3/t14?,16-,17+,18-,22-/m1/s1 |
| SMILES | O=C1[C@]2([C@@H](C(CCC2)(C)C)C[C@@H](O)C2=C[C@H](C[C@@H]1OC(=O)C)C(=C)C2=O)C |
|
SMART | [H]O[C@@]1([H])C2=C([H])[C@@]([H])(C(=C(/[H])[H])C2=O)C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])C(=O)[C@]2(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@](C([H])([H])[H])(C([H])([H])[H])[C@@]2([H])C1([H])[H] |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | NA, |
| 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 |