| Compound | 4,4'-O-dimethylellagic acid 3-(2'',3''-di-O-acetyl)-alpha-L-rhamnoside |
| NPACT-Id | NPACT00149 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | 11071799 |
| Class | Benzopyranoids |
| In-vitro anticancer activity | 4 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | GQJAWLOFGSZVBK-JSQOIUDGSA-N |
| InChi | 1S/C26H24O14/c1-8-17(29)22(36-9(2)27)23(37-10(3)28)26(35-8)40-19-14(34-5)7-12-16-15-11(25(32)39-21(16)19)6-13(33-4)18(30)20(15)38-24(12)31/h6-8,17,22-23,26,29-30H,1-5H3/t8-,17-,22+,23+,26-/m0/s1 |
| SMILES | O1[C@H]([C@H](O)[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1Oc1c2oc(=O)c3c4c2c(cc1OC)c(=O)oc4c(O)c(OC)c3)C |
|
SMART | [H]OC1=C(OC([H])([H])[H])C([H])=C2C(=O)OC3=C4C(=C([H])C(OC([H])([H])[H])=C3O[C@]3([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@@]3([H])OC(=O)C([H])([H])[H])C(=O)OC1=C24 |
| CAS No. | - |
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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 |