| Compound | acetylursolic acid |
| NPACT-Id | NPACT01113 |
| IUPAC | - |
| Synonyms | Urs-12-en-28-oic acid, 3-(acetyloxy)-, (3beta)- |
| PubChem Id | 25032406 |
| 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 | PHFUCJXOLZAQNH-MBBHOZISSA-N |
| InChi | 1S/C32H50O4/c1-19-11-16-32(27(34)35)18-17-30(7)22(26(32)20(19)2)9-10-24-29(6)14-13-25(36-21(3)33)28(4,5)23(29)12-15-31(24,30)8/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23+,24-,25+,26?,29+,30-,31-,32+/m1/s1 |
| SMILES | O([C@@H]1C([C@H]2[C@@]([C@@H]3[C@]([C@]4(C(=CC3)C3[C@@](CC4)(CC[C@H]([C@@H]3C)C)C(=O)O)C)(CC2)C)(CC1)C)(C)C)C(=O)C |
|
SMART | [H]OC(=O)[C@]12C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@]([H])(C([H])([H])[H])[C@]1([H])C1=C([H])C([H])([H])[C@]3([H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@](C([H])([H])[H])(C([H])([H])[H])[C@]4([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]1(C([H])([H])[H])C([H])([H])C2([H])[H] |
| CAS No. | 7372-30-7 |
|
Structure
Download | 
|
| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C487051 |
| HIT | - |
| NCI-60 GI50 data | - |
| 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 |