| Compound | Alvaradoins E |
| NPACT-Id | NPACT00246 |
| IUPAC | [(2R,3R,4R,5R,6R)-6-[(9R)-4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl] acetate |
| Synonyms | - |
| PubChem Id | 16736655 |
| Class | Polycyclic aromatic natural products |
| In-vitro anticancer activity | 5 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | ANCSMTDJGPZSRP-ZKQYTOOUSA-N |
| InChi | 1S/C22H22O9/c1-8-6-11-14(21-19(28)18(27)20(29)22(31-21)30-9(2)23)10-4-3-5-12(24)15(10)17(26)16(11)13(25)7-8/h3-7,14,18-22,24-25,27-29H,1-2H3/t14-,18+,19+,20+,21-,22+/m0/s1 |
| SMILES | O1[C@@H]([C@@H]2c3c(C(=O)c4c2cccc4O)c(O)cc(c3)C)[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC(=O)C |
|
SMART | [H]OC1=C([H])C([H])=C([H])C2=C1C(=O)C1=C(O[H])C([H])=C(C([H])=C1[C@@]2([H])[C@]1([H])O[C@@]([H])(OC(=O)C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])C([H])([H])[H] |
| CAS No. | - |
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Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C500945 |
| 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 |