| Compound | Ent-8,9-Seco-7-alpha-acetoxykaura-8(14),16-dien-9,15-dione |
| NPACT-Id | NPACT00533 |
| IUPAC | (2R,4R,9R)-5,5,9-Trimethyl-14-methylene-10,15-dioxotricyclo[11.2.1.04,9]hexadec-1(16)-en-2-yl acetate |
| Synonyms | - |
| PubChem Id | 6398570 |
| 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 | HTNGGVARAVBBLP-ZXXZCJBZSA-N |
| InChi | 1S/C22H30O4/c1-13-15-7-8-19(24)22(5)10-6-9-21(3,4)18(22)12-17(26-14(2)23)16(11-15)20(13)25/h11,15,17-18H,1,6-10,12H2,2-5H3/t15?,17-,18-,22-/m1/s1 |
| SMILES | O([C@@H]1C[C@H]2[C@@](CCCC2(C)C)(C(=O)CC[C@H]2C=C1C(=O)C2=C)C)C(=O)C |
|
SMART | [H]C([H])=C1C(=O)C2=C([H])[C@]1([H])C([H])([H])C([H])([H])C(=O)[C@]1(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@](C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])C([H])([H])[C@@]2([H])OC(=O)C([H])([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 |