| Compound | Oleanolic acid 3-O-beta-D-glucopyranosyl-(1->3)-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranoside |
| NPACT-Id | NPACT00836 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | - |
| Class | Saponin |
| In-vitro anticancer activity | 4 cancer cell lines |
| In-Vivo anticancer activity | Yes |
| Targets | COX-2 | NFKB1 | NOS2 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | KWCZTCGXRQRLTC-UOBPDPNJSA-N |
| InChi | 1S/C46H74O16/c1-21-23-10-13-45(7)29(9-8-24-25-18-42(3,4)14-16-46(25,41(55)56)17-15-44(24,45)6)43(23,5)12-11-27(21)59-40-37(31(50)26(48)20-57-40)62-39-35(54)36(30(49)22(2)58-39)61-38-34(53)33(52)32(51)28(19-47)60-38/h8,21-23,25-40,47-54H,9-20H2,1-7H3,(H,55 |
| SMILES | C1C[C@@H]([C@@H]([C@H]2[C@]1([C@H]1[C@@](CC2)([C@]2(C(=CC1)[C@@H]1[C@](CC2)(C(=O)O)CCC(C1)(C)C)C)C)C)C)O[C@H]1OC[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H]([C@@H]([C@@H](O[C@H]2[C@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)O)[C@@H]1O)O)C)O)O |
|
SMART | [H][C@]1([#6])[C@H](CC[C@@]2([#6])[C@H]1CC[C@]1([#6])[C@H]2CC=C2[C@H]3C[C@@]([#6])([#6])CC[C@@]3(CC[C@@]12[#6])C(O)=O)O[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@@H]([#6])[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[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 |