| Compound | Beta-d-glucopyranosyl-oleanolate |
| NPACT-Id | NPACT00322 |
| IUPAC | (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene |
| Synonyms | - |
| PubChem Id | - |
| Class | Saponin |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | HTXJQLSQSLATAL-OTFFHSELSA-N |
| InChi | 1S/C36H58O9/c1-31(2)14-16-36(30(42)45-44-29-28(41)27(40)26(39)22(19-37)43-29)17-15-34(6)20(21(36)18-31)8-9-24-33(5)12-11-25(38)32(3,4)23(33)10-13-35(24,34)7/h8,21-29,37-41H,9-19H2,1-7H3/t21-,22+,23-,24+,25-,26+,27-,28+,29-,33-,34-,35-,36+/m1/s1 |
| SMILES | C1C[C@H](C([C@@H]2[C@@]1([C@H]1[C@@](CC2)([C@]2(C(=CC1)[C@@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)OO[C@H]1O[C@@H](CO)[C@@H]([C@H]([C@@H]1O)O)O)C)C)C)(C)C)O |
|
SMART | [#6][C@]1([#6])CC[C@@]2(CC[C@]3([#6])C(=CC[C@H]4[C@]5([#6])CC[C@@H](O)[C@]([#6])([#6])[C@H]5CC[C@@]34[#6])[C@H]2C1)C(=O)OO[C@H]1O[C@@H](CO)[C@H](O)[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 |