| Compound | 3-O-[beta-D-glucopyranosyl(1->2)-beta-D-galactopyranosyl(1->2)-beta-D-glucuronopyranosyl]olean-12-en-22-oxo-3-beta,24-diol methyl ester |
| NPACT-Id | NPACT00138 |
| 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 | AYERNHBSMGERCB-WFUKFCNBSA-N |
| InChi | 1S/C46H72O20/c1-41(2)15-20-19-9-10-22-42(3)13-12-24(43(4,17-47)21(42)11-14-45(22,6)46(19,7)60-18-44(20,5)23(48)16-41)61-39-33(27(51)26(50)32(62-39)37(58)59-8)64-40-34(28(52)30(54)36(57)66-40)63-38-31(55)25(49)29(53)35(56)65-38/h9,20-22,24-36,38-40,47,49-5 |
| SMILES | C1C[C@@H]([C@@]([C@H]2[C@]1([C@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CO2)(C(=O)CC(C1)(C)C)C)C)C)C)(CO)C)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)O)O)O)O)O)C(=O)OC |
|
SMART | [#6]OC(=O)[C@H]1O[C@H](O[C@H]2CC[C@@]3([#6])[C@@H](CC[C@]4([#6])[C@H]3CC=C3[C@@H]5C[C@@]([#6])([#6])CC(=O)[C@]5([#6])CO[C@@]43[#6])[C@@]2([#6])CO)[C@H](O[C@H]2O[C@H](O)[C@@H](O)[C@H](O)[C@H]2O[C@H]2O[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O |
| 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 | No |
| Ghose filter | No |
| Veber filter | No |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |