| Compound | 3-beta-acetoxy-8-beta-isobutyryloxyreynosin |
| NPACT-Id | NPACT00121 |
| IUPAC | [(3aR,4R,5aR,6R,8S,9aS,9bR)-8-acetyloxy-6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] 2-methylpropanoate |
| Synonyms | - |
| PubChem Id | 9977821 |
| Class | Terpenoids |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | ZUUNDLVXTQYYJK-FBGIEJIUSA-N |
| InChi | 1S/C21H28O7/c1-9(2)19(24)27-14-8-21(6)15(23)7-13(26-12(5)22)10(3)17(21)18-16(14)11(4)20(25)28-18/h9,13-18,23H,3-4,7-8H2,1-2,5-6H3/t13-,14+,15+,16+,17+,18-,21-/m0/s1 |
| SMILES | O1[C@@H]2[C@@H]3[C@@](C[C@@H](OC(=O)C(C)C)[C@H]2C(=C)C1=O)([C@H](O)C[C@H](OC(=O)C)C3=C)C |
|
SMART | [#6][C@H]([#6])C(=O)O[C@@H]1C[C@@]2([#6])[C@H](O)C[C@H](OC([#6])=O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 |
| CAS No. | - |
|
Structure
Download | 
|
| 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 |