| Compound | Alvaradoins J |
| NPACT-Id | NPACT00251 |
| IUPAC | [(2S,3R,4R,5R,6R)-6-[(9R)-4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl]-2,4,5-trihydroxyoxan-3-yl] 3-methylbut-2-enoate |
| Synonyms | - |
| PubChem Id | 44424601 |
| 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 | CWTBVTWONZDFAF-DKYHJMRNSA-N |
| InChi | 1S/C27H28O11/c1-11(2)8-18(31)37-24-22(33)25(38-26(23(24)34)36-13(4)28)27(35)14-6-5-7-16(29)19(14)21(32)20-15(27)9-12(3)10-17(20)30/h5-10,22-26,29-30,33-35H,1-4H3/t22-,23-,24-,25+,26+,27+/m1/s1 |
| SMILES | O1[C@H]([C@@]2(O)c3c(C(=O)c4c2cccc4O)c(O)cc(c3)C)[C@H](O)[C@@H](OC(=O)C=C(C)C)[C@@H](O)[C@H]1OC(=O)C |
|
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(O[H])[C@@]1([H])O[C@]([H])(OC(=O)C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(OC(=O)C([H])=C(/C([H])([H])[H])C([H])([H])[H])[C@@]1([H])O[H] |
| 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 |