| Compound | (2S)-5-hydroxy-7-methoxy-8-[(E)-3-oxo-1-butenyl]flavanone |
| NPACT-Id | NPACT01049 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | 10980660 |
| Class | Flavonoid |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | NQO1 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | GAGKUHAKUBMORD-IJDCCNJMSA-N |
| InChi | 1S/C20H18O5/c1-12(21)8-9-14-18(24-2)11-16(23)19-15(22)10-17(25-20(14)19)13-6-4-3-5-7-13/h3-9,11,17,23H,10H2,1-2H3/b9-8+/t17-/m0/s1 |
| SMILES | O1[C@@H](CC(=O)c2c1c(c(OC)cc2O)/C=C/C(=O)C)c1ccccc1 |
|
SMART | [H]OC1=C([H])C(OC([H])([H])[H])=C(C([H])=C(/[H])C(=O)C([H])([H])[H])C2=C1C(=O)C([H])([H])[C@]([H])(O2)C1=C([H])C([H])=C([H])C([H])=C1[H] |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C481559 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | NA, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | Yes |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |