1.02010-04-08 22:14:46 UTC2019-11-26 03:18:25 UTCFDB0200693,5,6-Trihydroxy-3',4',7-trimethoxyflavoneConstituent of fingered citron fruits (Citrus medica). 3,5,6-Trihydroxy-3',4',7-trimethoxyflavone is found in citrus.3,5,6-Trihydroxy-3',4',7-trimethoxyflavone3,5,6-Trihydroxy-3',4',7'-trimethoxyflavoneQuercetagetin 7,3',4'-trimethyl etherThtmofC18H16O8360.3148360.0845174882-(3,4-dimethoxyphenyl)-3,5,6-trihydroxy-7-methoxy-4H-chromen-4-one2-(3,4-dimethoxyphenyl)-3,5,6-trihydroxy-7-methoxychromen-4-one99499-83-9COC1=C(O)C(O)=C2C(=O)C(O)=C(OC2=C1)C1=CC(OC)=C(OC)C=C1InChI=1S/C18H16O8/c1-23-9-5-4-8(6-10(9)24-2)18-17(22)16(21)13-11(26-18)7-12(25-3)14(19)15(13)20/h4-7,19-20,22H,1-3H3CZPFBNZMODZHIK-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-4-unsubstituted benzenoids3'-O-methylated flavonoids3-hydroxyflavonoids4'-O-methylated flavonoids5-hydroxyflavonoids6-hydroxyflavonoids7-O-methylated flavonoidsAlkyl aryl ethersAnisolesChromonesDimethoxybenzenesHeteroaromatic compoundsHydrocarbon derivativesOrganic oxidesOxacyclic compoundsPhenoxy compoundsPolyolsPyranones and derivativesVinylogous acids1-benzopyran1-hydroxy-4-unsubstituted benzenoid3-hydroxyflavone3-hydroxyflavonoid3p-methoxyflavonoid-skeleton4p-methoxyflavonoid-skeleton5-hydroxyflavonoid6-hydroxyflavonoid7-methoxyflavonoid-skeletonAlkyl aryl etherAnisoleAromatic heteropolycyclic compoundBenzenoidBenzopyranChromoneDimethoxybenzeneEtherHeteroaromatic compoundHydrocarbon derivativeHydroxyflavonoidMethoxybenzeneMonocyclic benzene moietyO-dimethoxybenzeneOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenol etherPhenoxy compoundPolyolPyranPyranoneVinylogous acidFlavones and Flavonolslogp2.25logs-3.67solubility7.70e-02 g/llogp2.29pka_strongest_acidic8.3pka_strongest_basic-4iupac2-(3,4-dimethoxyphenyl)-3,5,6-trihydroxy-7-methoxy-4H-chromen-4-oneaverage_mass360.3148mono_mass360.084517488smilesCOC1=C(O)C(O)=C2C(=O)C(O)=C(OC2=C1)C1=CC(OC)=C(OC)C=C1formulaC18H16O8inchiInChI=1S/C18H16O8/c1-23-9-5-4-8(6-10(9)24-2)18-17(22)16(21)13-11(26-18)7-12(25-3)14(19)15(13)20/h4-7,19-20,22H,1-3H3inchikeyCZPFBNZMODZHIK-UHFFFAOYSA-Npolar_surface_area114.68refractivity92.29polarizability35.67rotatable_bond_count4acceptor_count8donor_count3physiological_charge0formal_charge0Specdb::CMs14082Specdb::CMs46744Specdb::CMs157865Specdb::MsMs12764Specdb::MsMs12765Specdb::MsMs12766Specdb::MsMs19436Specdb::MsMs19437Specdb::MsMs19438Specdb::MsMs2433280Specdb::MsMs2433281Specdb::MsMs2433282Specdb::MsMs2504849Specdb::MsMs2504850Specdb::MsMs2504851HMDB40344#<Reference:0x0000555674b5bee8>CitrusUnknowngeneric