Compound: Fisetin
SMILES: O=c1c(O)c(oc2c1ccc(c2)O)-c3cc(O)c(O)cc3
InChIKey: XHEFDIBZLJXQHF-UHFFFAOYSA-N
Synonyms: Fisetin, 528-48-3, 2-(3,4-Dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one, 5-Desoxyquercetin, 3,3',4',7-Tetrahydroxyflavone, 3,7,3',4'-Tetrahydroxyflavone, Fustel, Viset, Fisetholz, Superfustel, Cotinin, Fietin, Fustet, Junger fustik, C.I. Natural Brown 1, C.I. 75620, Fisidenolon 1521, 2-(3,4-Dihydroxyphenyl)-3,7-dihydroxy-4H-1-benzopyran-4-one, 7,3',4'-Trihydroxyflavonol, 2-(3,4-dihydroxyphenyl)-3,7-dihydroxychromen-4-one, NSC-407010, NSC-656275, OO2ABO9578, DTXSID4022317, CHEBI:42567, 5-Desoxy-quercetin, RefChem:599234, 7,3',4'-Flavon-3-ol, DTXCID902317, 3,3',4',7-Tetrahydroxy-flavone, 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-1-benzopyrylium, 208-434-4, Ventin sumach, Young fustic, Zante fustic, Superfustel K, Ungarisches gelbholz, Young fustic crystals, Bois bleu de Honqrie, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-, MFCD00006829, Fisetin (Standard), NSC 407010, NSC 656275, NSC407010, 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chromen-4-one, CHEMBL31574, FLAVONE, 3,3',4',7-TETRAHYDROXY-, TNP00284, Fisetin hydrate, NSC656275, BOIS bleude honqrie, FSE, CCRIS 9034, SR-05000002249, EINECS 208-434-4, BRN 0292829, UNII-OO2ABO9578, Fisetine, 5-Deoxyquercetin, Fisetin (Fustel), Fisetin, 15, Spectrum_001196, 1xo2, SpecPlus_000460, FISETIN [MI], Spectrum2_001160, Spectrum3_001536, Spectrum4_001070, Spectrum5_001797, FISETIN [WHO-DD], NCIMech_000006, SCHEMBL39454, 3,3'4'7-tetOH-Flavone, 3,4',7-Tetrahydroxyflavone, BSPBio_002952, KBioGR_001400, KBioSS_001676, 5-18-05-00291 (Beilstein Handbook Reference), MLS006011782, BIDD:ER0141, DivK1c_006556, SPECTRUM1502247, SPBio_001119, BDBM7457, GTPL5182, orb1304898, orb3139164, SCHEMBL29349742, SCHEMBL29381611, SCHEMBL29394036, HY-N0182R, KBio1_001500, KBio2_001676, KBio2_004244, KBio2_006812, KBio3_002452, Flavone,3',4',7-tetrahydroxy-, HMS3604H03, HMS3655L22, HY-N0182, TNP00004, BBL027612, CCG-35267, EBC-11090, LMPK12111566, s2298, SBB066118, STL146392, AKOS000277885, CS-7840, DB07795, FF29463, SDCCGMLS-0066657.P001, NCGC00017344-01, NCGC00017344-02, NCGC00017344-03, NCGC00017344-04, NCGC00017344-05, NCGC00017344-06, NCGC00017344-14, NCGC00095663-01, NCGC00095663-02, NCGC00178374-01, AC-34567, AS-15520, NCI60_003865, SMR001835029, ST057233, SY050263, CS-0694983, NS00018308, SW219914-1, C10041, S00056, F212841, Q418384, SR-05000002249-2, SR-05000002249-3, BRD-K31836715-001-05-0, BRD-K31836715-001-06-8, 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chromone;dihydrate, 4H-1-Benzopyran-4-one,4-dihydroxyphenyl)-3,7-dihydroxy-, 2-(3,4-Dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one #, 3,7-Dihydroxy-2-(3,4-dihydroxyphenyl)-4H-1-benzopyran-4-one, Fisetin; 2-(3,4-DIHYDROXYPHENYL)-3,7-DIHYDROXY-4H-CHROMEN-4-ONE, Fisetin;  5-Deoxyquercetin;  3,3?,4?,7-Tetra??hydroxy??flavone; Natural Brown 1, InChI=1/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/h1-6,16-18,20
Theoretical properties:
molecular_formula: C15H10O6
molecular_weight: 286.24 g/mol
exact_mass: 286.04773803 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 1
heavy_atom_count: 21
topological_polar_surface_area: 107 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Fisetin is a 7-hydroxyflavonol with additional hydroxy groups at positions 3, 3' and 4'. It has a role as a geroprotector, an antioxidant, a metabolite, an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor, an anti-inflammatory agent and a plant metabolite. It is a 3'-hydroxyflavonoid, a tetrahydroxyflavone and a 7-hydroxyflavonol. It is a conjugate acid of a fisetin(1-).
chebi: A 7-hydroxyflavonol with additional hydroxy groups at positions 3, 3' and 4'.
chembl: FISETIN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Fisetin (7,3′,4′-flavon-3-ol) is a plant flavonol from the flavonoid group of polyphenols. It occurs in many plants where it serves as a yellow pigment. It is found in many fruits and vegetables, such as strawberries, apples, persimmons, onions, and cucumbers.
Its chemical formula was first described by Austrian chemist Josef Herzig in 1891.