1.02010-04-08 22:05:33 UTC2019-11-26 02:58:02 UTCFDB002842TetramethylisoscutellareinTetramethylisoscutellarein, also known as 5784'-tetramethoxyflavone, is a member of the class of compounds known as 8-o-methylated flavonoids. 8-o-methylated flavonoids are flavonoids with methoxy groups attached to the C8 atom of the flavonoid backbone. Thus, tetramethylisoscutellarein is considered to be a flavonoid lipid molecule. Tetramethylisoscutellarein is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Tetramethylisoscutellarein can be found in sweet orange, which makes tetramethylisoscutellarein a potential biomarker for the consumption of this food product. 4',5,7,8-Tetramethoxyflavone6-Demethoxytangeretin6-DemethoxytangeritinTetra-O-methylisoscutellareinTetramethylisoscutellareinC19H18O6342.3426342.1103383085,7,8-trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one6-demethoxytangeritin6601-66-7COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(OC)=C(OC)C=C2OCInChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)14-9-13(20)17-15(22-2)10-16(23-3)18(24-4)19(17)25-14/h5-10H,1-4H3DDGJUTBQQURRGE-UHFFFAOYSA-N belongs to the class of organic compounds known as 8-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C8 atom of the flavonoid backbone.8-O-methylated flavonoidsOrganic compoundsPhenylpropanoids and polyketidesFlavonoidsO-methylated flavonoidsAromatic heteropolycyclic compounds4'-O-methylated flavonoids5-O-methylated flavonoids7-O-methylated flavonoidsAlkyl aryl ethersAnisolesChromonesFlavonesHeteroaromatic compoundsHydrocarbon derivativesMethoxybenzenesOrganic oxidesOxacyclic compoundsPhenoxy compoundsPyranones and derivativesVinylogous esters1-benzopyran4p-methoxyflavonoid-skeleton5-methoxyflavonoid-skeleton7-methoxyflavonoid-skeleton8-methoxyflavonoid-skeletonAlkyl aryl etherAnisoleAromatic heteropolycyclic compoundBenzenoidBenzopyranChromoneEtherFlavoneHeteroaromatic compoundHydrocarbon derivativeMethoxybenzeneMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenol etherPhenoxy compoundPyranPyranoneVinylogous esterFlavones and Flavonolslogp3.16logs-4.51solubility1.06e-02 g/lmelting_pointMp 207-208°logp2.34pka_strongest_acidic15.39pka_strongest_basic-4.3iupac5,7,8-trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-oneaverage_mass342.3426mono_mass342.110338308smilesCOC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(OC)=C(OC)C=C2OCformulaC19H18O6inchiInChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)14-9-13(20)17-15(22-2)10-16(23-3)18(24-4)19(17)25-14/h5-10H,1-4H3inchikeyDDGJUTBQQURRGE-UHFFFAOYSA-Npolar_surface_area63.22refractivity92.82polarizability35.82rotatable_bond_count5acceptor_count6donor_count0physiological_charge0formal_charge0Specdb::MsMs45279Specdb::MsMs45280Specdb::MsMs45281Specdb::MsMs163782Specdb::MsMs163783Specdb::MsMs163784Specdb::MsMs3599127Specdb::MsMs3599128Specdb::MsMs3599129Specdb::MsMs3599130Specdb::MsMs3599131Sweet orangeType 1specificCitrus sinensis2711