1.02010-04-08 22:10:03 UTC2019-11-26 03:06:25 UTCFDB0122224',5-Dihydroxy-3',7-dimethoxyisoflavoneConstituent of Pterocarpus soyauxii. 4',5-Dihydroxy-3',7-dimethoxyisoflavone is found in green vegetables.3',7-Di-O-methylorobol4',5-Dihydroxy-3',7-dimethoxyisoflavone5,4'-Dihydroxy-7,3'-dimethoxyisoflavone7,3'-DimethylorobolC17H14O6314.2895314.079038185-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-chromen-4-one7,3'-dimethylorobol104668-88-4COC1=CC(O)=C2C(=O)C(=COC2=C1)C1=CC(OC)=C(O)C=C1InChI=1S/C17H14O6/c1-21-10-6-13(19)16-15(7-10)23-8-11(17(16)20)9-3-4-12(18)14(5-9)22-2/h3-8,18-19H,1-2H3NMQZMHHAWZDJOJ-UHFFFAOYSA-N belongs to the class of organic compounds known as 7-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C7 atom of the isoflavone backbone.7-O-methylisoflavonesOrganic compoundsPhenylpropanoids and polyketidesIsoflavonoidsO-methylated isoflavonoidsAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-O-methylisoflavonesAlkyl aryl ethersAnisolesChromonesHeteroaromatic compoundsHydrocarbon derivativesHydroxyisoflavonoidsIsoflavonesMethoxybenzenesMethoxyphenolsOrganic oxidesOxacyclic compoundsPhenoxy compoundsPyranones and derivativesVinylogous acids1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid3p-methoxyisoflavone7-o-methylisoflavoneAlkyl aryl etherAnisoleAromatic heteropolycyclic compoundBenzenoidBenzopyranChromoneEtherHeteroaromatic compoundHydrocarbon derivativeHydroxyisoflavonoidIsoflavoneMethoxybenzeneMethoxyphenolMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenolPhenol etherPhenoxy compoundPyranPyranoneVinylogous acidIsoflavonoidslogp3.26logs-3.89solubility4.06e-02 g/lmelting_pointMp 179° (as di-Ac)logp3.07pka_strongest_acidic8.48pka_strongest_basic-4.5iupac5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-chromen-4-oneaverage_mass314.2895mono_mass314.07903818smilesCOC1=CC(O)=C2C(=O)C(=COC2=C1)C1=CC(OC)=C(O)C=C1formulaC17H14O6inchiInChI=1S/C17H14O6/c1-21-10-6-13(19)16-15(7-10)23-8-11(17(16)20)9-3-4-12(18)14(5-9)22-2/h3-8,18-19H,1-2H3inchikeyNMQZMHHAWZDJOJ-UHFFFAOYSA-Npolar_surface_area85.22refractivity82.63polarizability31.59rotatable_bond_count3acceptor_count6donor_count2physiological_charge0formal_charge0Specdb::CMs20566Specdb::CMs43627Specdb::CMs135540Specdb::CMs143274Specdb::MsMs109488Specdb::MsMs109489Specdb::MsMs109490Specdb::MsMs176937Specdb::MsMs176938Specdb::MsMs176939Specdb::MsMs2373303Specdb::MsMs2373304Specdb::MsMs2373305Specdb::MsMs2565863Specdb::MsMs2565864Specdb::MsMs2565865HMDB33989#<Reference:0x00005556760883e8>Green vegetablesUnknowngeneric