| Compound | 4'-O-methylellagic acid 3-(2'',3''-di-O-acetyl)-alpha-L-rhamnoside |
| NPACT-Id | NPACT00163 |
| IUPAC | - |
| Synonyms | [1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 3-[(2,3-di-O-acetyl-6-deoxyhexopyranosyl)oxy]-2,8-dihydroxy-7-methoxy-2,8-dihydroxy-7-methoxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-3-yl 2,3-di-O-acetyl-6-deoxyhexopyranoside; Acetic acid 3-acetoxy-2-(2,8-dihydroxy-7-methoxy-5,10-dioxo-5,10-dihydro-chromeno[5,4,3-cde]chromen-3-yloxy)-5-hydroxy-6-methyl-tetrahydro-pyran-4-yl ester |
| PubChem Id | 5323519 |
| 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 | KNGJTKQJDRESAB-MYFGMOGUSA-N |
| InChi | 1S/C25H22O14/c1-7-16(29)21(35-8(2)26)22(36-9(3)27)25(34-7)39-18-12(28)5-10-15-14-11(24(32)38-20(15)18)6-13(33-4)17(30)19(14)37-23(10)31/h5-7,16,21-22,25,28-30H,1-4H3/t7-,16+,21+,22-,25-/m1/s1 |
| SMILES | O1[C@@H]([C@H](O)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]1Oc1c2oc(=O)c3c4c2c(cc1O)c(=O)oc4c(O)c(OC)c3)C |
|
SMART | [H]OC1=C(O[C@@]2([H])O[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]2([H])OC(=O)C([H])([H])[H])C2=C3C(=C1[H])C(=O)OC1=C3C(=C([H])C(OC([H])([H])[H])=C1O[H])C(=O)O2 |
| 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 |