| Compound | 3-beta-acetoxy-12,19-dioxo-13(18)-oleanene |
| NPACT-Id | NPACT01475 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | - |
| Class | Terpenoids |
| In-vitro anticancer activity | 3 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | UBRSSGIFIWILOJ-AEFLXZPZSA-N |
| InChi | 1S/C32H48O4/c1-19(33)36-23-11-12-30(7)21(28(23,4)5)10-13-31(8)22(30)18-20(34)24-25-26(35)27(2,3)14-15-29(25,6)16-17-32(24,31)9/h21-23H,10-18H2,1-9H3/t21?,22?,23-,29+,30-,31+,32+/m0/s1 |
| SMILES | C1C[C@@H](C(C2[C@]1(C1[C@@](CC2)([C@]2(C(=C3[C@@](CC2)(CCC(C3=O)(C)C)C)C(=O)C1)C)C)C)(C)C)OC(=O)C |
|
SMART | [#6]C(=O)O[C@H]1CC[C@@]2([#6])C(CC[C@]3([#6])C2CC(=O)C2=C4C(=O)[C@]([#6])([#6])CC[C@]4([#6])CC[C@@]32[#6])[C@]1([#6])[#6] |
| CAS No. | - |
|
Structure
Download | 
|
| Suppliers | NA, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | No |
| Veber filter | Yes |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |