| Compound | Quercetin |
| NPACT-Id | NPACT00891 |
| IUPAC | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one |
| Synonyms | Sophoretin; Meletin; Quercetol; Xanthaurine; Flavin meletin; Quercetin dihydrate |
| PubChem Id | 5280343 |
| Class | Flavonoid |
| In-vitro anticancer activity | 17 cancer cell lines |
| In-Vivo anticancer activity | Yes |
| Targets | AKT1 | CCND1 | CDH1 | CDH2 | CDK2 | CDKN1A | CDKN1B | MMP9 | SNAI1 | TNF | TWIST1 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | REFJWTPEDVJJIY-UHFFFAOYSA-N |
| InChi | 1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H |
| SMILES | o1c2c(c(=O)c(O)c1c1cc(O)c(O)cc1)c(O)cc(O)c2 |
|
SMART | [H]OC1=C([H])C(O[H])=C2C(=O)C(O[H])=C(OC2=C1[H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H] |
| CAS No. | 117-39-5 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | 000117395 |
| CTD | D011794 |
| HIT | C0183 |
| NCI-60 GI50 data | 117-39-5 |
| Suppliers | Abbott Labs, ABI Chem, AKos Consulting & Solutions, Alsachim, Ambinter, Angene International, ASINEX, ChemExper Chemical
Directory, ChemFrog, ChemMol, Hangzhou APIChem Technology, MolPort, R&D Chemicals, Selleck Chemicals, TCI (Tokyo Chemical
Industry), Therapeutic Targets Database, TimTec, Vitas-M Laboratory, 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 |