1.02010-04-08 22:10:03 UTC2019-11-26 03:06:24 UTCFDB0122127-Methoxy-2-methylisoflavoneIsolated from Glycyrrhiza glabra (licorice). 7-Methoxy-2-methylisoflavone is found in tea and herbs and spices.7-Methoxy-2-methylisoflavoneC17H14O3266.2913266.0942943147-methoxy-2-methyl-3-phenyl-4H-chromen-4-one7-methoxy-2-methyl-3-phenylchromen-4-one19725-44-1COC1=CC2=C(C=C1)C(=O)C(=C(C)O2)C1=CC=CC=C1InChI=1S/C17H14O3/c1-11-16(12-6-4-3-5-7-12)17(18)14-9-8-13(19-2)10-15(14)20-11/h3-10H,1-2H3XRGWZIGGCNSFRY-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 compoundsAlkyl aryl ethersAnisolesBenzene and substituted derivativesChromonesHeteroaromatic compoundsHydrocarbon derivativesIsoflavonesOrganic oxidesOxacyclic compoundsPyranones and derivatives1-benzopyran7-o-methylisoflavoneAlkyl aryl etherAnisoleAromatic heteropolycyclic compoundBenzenoidBenzopyranChromoneEtherHeteroaromatic compoundHydrocarbon derivativeIsoflavoneMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePyranPyranoneIsoflavonoidslogp3.77logs-4.34solubility1.21e-02 g/lmelting_pointMp 142-143°logp3.38pka_strongest_basic-4.7iupac7-methoxy-2-methyl-3-phenyl-4H-chromen-4-oneaverage_mass266.2913mono_mass266.094294314smilesCOC1=CC2=C(C=C1)C(=O)C(=C(C)O2)C1=CC=CC=C1formulaC17H14O3inchiInChI=1S/C17H14O3/c1-11-16(12-6-4-3-5-7-12)17(18)14-9-8-13(19-2)10-15(14)20-11/h3-10H,1-2H3inchikeyXRGWZIGGCNSFRY-UHFFFAOYSA-Npolar_surface_area35.53refractivity78.02polarizability28.9rotatable_bond_count2acceptor_count3donor_count0physiological_charge0formal_charge0Specdb::CMs20974Specdb::CMs157585Specdb::MsMs71427Specdb::MsMs71428Specdb::MsMs71429Specdb::MsMs130092Specdb::MsMs130093Specdb::MsMs130094Specdb::MsMs2761270Specdb::MsMs2761271Specdb::MsMs2761272Specdb::MsMs2945220Specdb::MsMs2945221Specdb::MsMs2945222HMDB33980#<Reference:0x00005556745cdc38>Black teaType 1Green teaType 1Herbal teaType 1Herbs and SpicesUnknowngenericRed teaType 1TeaType 1specificCamellia sinensis4442