Compound | Fisetin |
NPACT-Id | NPACT00581 |
IUPAC | 2-(3,4-dihydroxyphenyl)-3,7-dihydroxychromen-4-one |
Synonyms | Cotinin; 5-Desoxyquercetin; Superfustel; Fisetholz; Viset; Ventin sumach; Young fustic; Zante fustic; Superfustel K; Ungarisches gelbholz |
PubChem Id | 5281614 |
Class | Flavonoid |
In-vitro anticancer activity | 7 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | BAK1 | BCL2 | BCL2L1 | CCND1 | CCNE1 | CDC25C | CDK1 | CDK2 | CDK4 | CDKN1A | COX-2 | EGFR | NFKB1 | PTGER3 | RB1 | All | |
Properties | Physical Elemental Topological |
InChi Key | XHEFDIBZLJXQHF-UHFFFAOYSA-N |
InChi | 1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H |
SMILES | o1c(c2cc(O)c(O)cc2)c(O)c(=O)c2c1cc(O)cc2 |
SMART | [H]OC1=C([H])C2=C(C([H])=C1[H])C(=O)C(O[H])=C(O2)C1=C([H])C(O[H])=C(O[H])C([H])=C1[H] |
CAS No. | 528-48-3 |
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Structure Download |
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Cross Refrence in other databases |
Super Natural | 000528483 |
CTD | C017875 |
HIT | C0283 |
NCI-60 GI50 data | 528-48-3 |
Suppliers | ABI Chem, AKos Consulting & Solutions, Ambinter, ChemExper Chemical Directory, ChemFrog, ChemMol, Hangzhou Trylead Chemical Technology, IS
Chemical 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 |