1.02010-04-08 22:09:53 UTC2020-02-24 19:11:05 UTCFDB011897Quercetagetin2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4h-chromen-4-one, also known as 6-hydroxyquercetin or 3,3',4',5,6,7-hexahydroxyflavone, is a member of the class of compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position. Thus, 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4h-chromen-4-one is considered to be a flavonoid lipid molecule. 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4h-chromen-4-one is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4h-chromen-4-one can be synthesized from quercetin. 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4h-chromen-4-one is also a parent compound for other transformation products, including but not limited to, axillarin, eupatin, and patuletin. 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4h-chromen-4-one is a bitter tasting compound found in sweet orange, which makes 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4h-chromen-4-one a potential biomarker for the consumption of this food product.2-(3,4-Dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-1-benzopyran-4-one, 9CI3',4',5,6,7-Pentahydroxyflavonol6-HydroxyquercetinQuercetagetinC15H10O8318.2351318.0375672962-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-chromen-4-onequercetagetin90-18-6OC1=CC2=C(C(O)=C1O)C(=O)C(O)=C(O2)C1=CC(O)=C(O)C=C1InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22HZVOLCUVKHLEPEV-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position.FlavonolsOrganic compoundsPhenylpropanoids and polyketidesFlavonoidsFlavonesAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids3-hydroxyflavonoids4'-hydroxyflavonoids5-hydroxyflavonoids6-hydroxyflavonoids7-hydroxyflavonoidsBenzene and substituted derivativesCatecholsChromonesHeteroaromatic compoundsHydrocarbon derivativesOrganic oxidesOxacyclic compoundsPolyolsPyranones and derivativesVinylogous acids1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoid3-hydroxyflavone3-hydroxyflavonoid4'-hydroxyflavonoid5-hydroxyflavonoid6-hydroxyflavonoid7-hydroxyflavonoidAromatic heteropolycyclic compoundBenzenoidBenzopyranCatecholChromoneHeteroaromatic compoundHydrocarbon derivativeHydroxyflavonoidMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenolPolyolPyranPyranoneVinylogous acidFlavones and FlavonolsFlavones and Flavonolsflavonolsflavonolshexahydroxyflavonelogp1.70logs-2.99solubility3.22e-01 g/llogp1.85pka_strongest_acidic6.56pka_strongest_basic-4iupac2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-chromen-4-oneaverage_mass318.2351mono_mass318.037567296smilesOC1=CC2=C(C(O)=C1O)C(=O)C(O)=C(O2)C1=CC(O)=C(O)C=C1formulaC15H10O8inchiInChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22HinchikeyZVOLCUVKHLEPEV-UHFFFAOYSA-Npolar_surface_area147.68refractivity78.84polarizability29.49rotatable_bond_count1acceptor_count8donor_count6physiological_charge-1formal_charge0Specdb::CMs51819Specdb::CMs64716Specdb::CMs146676Specdb::MsMs67017Specdb::MsMs67018Specdb::MsMs67019Specdb::MsMs124737Specdb::MsMs124738Specdb::MsMs124739Specdb::MsMs1479292Specdb::MsMs1479390Specdb::MsMs2780662Specdb::MsMs2780663Specdb::MsMs2780664Specdb::MsMs2924362Specdb::MsMs2924363Specdb::MsMs2924364Sweet orangeType 1specificCitrus sinensis2711bitteraldose reductase inhibitor40An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of aldehyde reductase (EC 1.1.1.21).anti bacterial145A substance that kills or slows the growth of bacteria.anti HIV333A substance that destroys or inhibits replication of viruses.antioxidant502A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324.dye893HIV-reverse-transcriptase inhibitor994A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.