| Compound | acetylbetulinic acid |
| NPACT-Id | NPACT01111 |
| IUPAC | - |
| Synonyms | Betulinic acid acetate;Acetobetulinic acid;Acetylbetulinic acid;Betulic acid acetate;3-O-Acetylbetulinic acid;Lup-20(29)-en-28-oic acid, acetate; |
| PubChem Id | 289984 |
| 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 | ACWNTJJUZAIOLW-UHFFFAOYSA-N |
| InChi | 1S/C32H50O4/c1-19(2)21-11-16-32(27(34)35)18-17-30(7)22(26(21)32)9-10-24-29(6)14-13-25(36-20(3)33)28(4,5)23(29)12-15-31(24,30)8/h21-26H,1,9-18H2,2-8H3,(H,34,35) |
| SMILES | O(C1C(C2C(C3C(C4(C(C5C(CC4)(CCC5C(=C)C)C(=O)O)CC3)C)(CC2)C)(CC1)C)(C)C)C(=O)C |
|
SMART | [H]OC(=O)[C@]12C([H])([H])C([H])([H])[C@@]([H])(C(=C(/[H])[H])C([H])([H])[H])[C@]1([H])[C@@]1([H])C([H])([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. | 10376-50-8 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | AAA Chemistry, ABI Chem, ChemFrog, |
| 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 |