| Compound | Alvaradoins K |
| NPACT-Id | NPACT00252 |
| IUPAC | [(2S,3R,4R,5R,6R)-6-[(9S)-4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl]-2,4,5-trihydroxyoxan-3-yl] 3-methylbut-2-enoate |
| Synonyms | - |
| PubChem Id | 44424602 |
| Class | Polycyclic aromatic natural products |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | XSVRTNDEOWGZRL-JZZVODJTSA-N |
| InChi | 1S/C25H26O9/c1-10(2)7-16(28)33-24-22(31)21(30)23(34-25(24)32)17-12-5-4-6-14(26)18(12)20(29)19-13(17)8-11(3)9-15(19)27/h4-9,17,21-27,30-32H,1-3H3/t17-,21-,22-,23-,24-,25+/m1/s1 |
| SMILES | O1[C@H]([C@H]2c3c(C(=O)c4c2cccc4O)c(O)cc(c3)C)[C@H](O)[C@@H](O)[C@@H](OC(=O)C=C(C)C)[C@H]1O |
|
SMART | [H]OC1=C([H])C([H])=C([H])C2=C1C(=O)C1=C(C([H])=C(C([H])=C1O[H])C([H])([H])[H])[C@]2([H])[C@@]1([H])O[C@]([H])(O[H])[C@]([H])(OC(=O)C([H])=C(/C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]1([H])O[H] |
| CAS No. | - |
|
Structure
Download | 
|
| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | NA, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | Yes |
| Veber filter | No |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |