| Compound | Hesperetin |
| NPACT-Id | NPACT00659 |
| IUPAC | (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one |
| Synonyms | Hesperitin;Hesperin;3',5,7-Trihydroxy-4'-methoxyflavanone |
| PubChem Id | 72281 |
| Class | Flavonoid |
| In-vitro anticancer activity | 4 cancer cell lines |
| In-Vivo anticancer activity | Yes |
| Targets | BAX | BCL2 | BCL2L1 | CASP3 | CCNB1 | CCND1 | CDC25C | CDK1 | CDK2 | CDK4 | CDKN1A | CDKN1B | CDKN1C | CYP19A1 | CYP1A1 | PARP1 | TFF1 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | AIONOLUJZLIMTK-AWEZNQCLSA-N |
| InChi | 1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1 |
| SMILES | O1[C@@H](CC(=O)c2c1cc(O)cc2O)c1cc(O)c(OC)cc1 |
|
SMART | [H]OC1=C([H])C(O[H])=C2C(O[C@]([H])(C3=C([H])C(O[H])=C(OC([H])([H])[H])C([H])=C3[H])C([H])([H])C2=O)=C1[H] |
| CAS No. | 520-33-2 |
|
Structure
Download | 
|
| Cross Refrence in other databases |
| Super Natural | 000520263 |
| CTD | C013015 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, Ambinter, ChemMol, R&D Chemicals, Selleck Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), Therapeutic Targets
Database, TimTec, ZINC, |
| 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 |