1.02010-04-08 22:04:40 UTC2020-02-24 19:10:12 UTCFDB0006903'-Hydroxy-4',5,6,7,8-pentamethoxyflavoneConstituent of mandarin orange (Citrus reticulata). 3'-Hydroxy-4',5,6,7,8-pentamethoxyflavone is found in citrus.3'-Hydroxy-4',5,6,7,8-pentamethoxyflavone3'-Hydroxy-5,6,7,8,4'-pentamethoxyflavoneC20H20O8388.368388.1158176162-(3-hydroxy-4-methoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-one2-(3-hydroxy-4-methoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one112448-39-2COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C(OC)=C(OC)C(OC)=C2OCInChI=1S/C20H20O8/c1-23-13-7-6-10(8-11(13)21)14-9-12(22)15-16(24-2)18(25-3)20(27-5)19(26-4)17(15)28-14/h6-9,21H,1-5H3XFYYZBJXMSDKCV-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 compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids4'-O-methylated flavonoids5-O-methylated flavonoids6-O-methylated flavonoids7-O-methylated flavonoidsAlkyl aryl ethersAnisolesChromonesFlavonesHeteroaromatic compoundsHydrocarbon derivativesMethoxybenzenesMethoxyphenolsMonohydroxyflavonoidsOrganic oxidesOxacyclic compoundsPhenoxy compoundsPyranones and derivativesVinylogous esters1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoid4p-methoxyflavonoid-skeleton5-methoxyflavonoid-skeleton6-methoxyflavonoid-skeleton7-methoxyflavonoid-skeleton8-methoxyflavonoid-skeletonAlkyl aryl etherAnisoleAromatic heteropolycyclic compoundBenzenoidBenzopyranChromoneEtherFlavoneHeteroaromatic compoundHydrocarbon derivativeHydroxyflavonoidMethoxybenzeneMethoxyphenolMonocyclic benzene moietyMonohydroxyflavonoidOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenolPhenol etherPhenoxy compoundPyranPyranoneVinylogous esterFlavones and Flavonolslogp2.84logs-4.00solubility3.93e-02 g/lmelting_pointMp 139-140°logp1.88pka_strongest_acidic9.55pka_strongest_basic-4.2iupac2-(3-hydroxy-4-methoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-oneaverage_mass388.368mono_mass388.115817616smilesCOC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C(OC)=C(OC)C(OC)=C2OCformulaC20H20O8inchiInChI=1S/C20H20O8/c1-23-13-7-6-10(8-11(13)21)14-9-12(22)15-16(24-2)18(25-3)20(27-5)19(26-4)17(15)28-14/h6-9,21H,1-5H3inchikeyXFYYZBJXMSDKCV-UHFFFAOYSA-Npolar_surface_area92.68refractivity101.27polarizability39.68rotatable_bond_count6acceptor_count8donor_count1physiological_charge0formal_charge0Specdb::CMs17148Specdb::CMs41447Specdb::CMs159694Specdb::MsMs106065Specdb::MsMs106066Specdb::MsMs106067Specdb::MsMs172719Specdb::MsMs172720Specdb::MsMs172721Specdb::MsMs2758875Specdb::MsMs2758876Specdb::MsMs2949426Specdb::MsMs2949427Specdb::MsMs2949428HMDB29545#<Reference:0x00005556730b8898>CitrusUnknowngenericMandarin orange (Clementine, Tangerine)Type 1specificCitrus reticulata85571