1.02010-04-08 22:13:06 UTC2019-11-26 03:14:54 UTCFDB017468GlycycoumarinFrom licorice (Glycyrrhiza glabra). Glycycoumarin is found in root vegetables.3-(2,4-Dihydroxy-phenyl)-7-hydroxy-5-methoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-2-one3-(2,4-Dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one, 9CIGlycycoumarinC21H20O6368.3799368.1259883723-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-oneglycycoumarin94805-82-0COC1=C(CC=C(C)C)C(O)=CC2=C1C=C(C(=O)O2)C1=C(O)C=C(O)C=C1InChI=1S/C21H20O6/c1-11(2)4-6-14-18(24)10-19-16(20(14)26-3)9-15(21(25)27-19)13-7-5-12(22)8-17(13)23/h4-5,7-10,22-24H,6H2,1-3H3NZYSZZDSYIBYLC-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxyisoflavonoids. These are organic compounds containing an isoflavonoid skeleton carrying one or more hydroxyl groups.HydroxyisoflavonoidsOrganic compoundsPhenylpropanoids and polyketidesIsoflavonoidsHydroxyisoflavonoidsAromatic heteropolycyclic compounds1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids7-hydroxycoumarinsAlkyl aryl ethersAnisolesBenzene and substituted derivativesHeteroaromatic compoundsHydrocarbon derivativesIsoflav-3-enonesLactonesOrganic oxidesOxacyclic compoundsPyranones and derivativesResorcinols1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid7-hydroxycoumarinAlkyl aryl etherAnisoleAromatic heteropolycyclic compoundBenzenoidBenzopyranCoumarinEtherHeteroaromatic compoundHydrocarbon derivativeHydroxycoumarinHydroxyisoflavonoidIsoflav-3-enone skeletonLactoneMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenolPyranPyranoneResorcinolOther Flavonoidsaromatic ethercoumarinsresorcinolslogp4.06logs-4.41solubility1.44e-02 g/lmelting_pointMp 243.5-244.5° (231°)logp4.11pka_strongest_acidic7.6pka_strongest_basic-4.9iupac3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-oneaverage_mass368.3799mono_mass368.125988372smilesCOC1=C(CC=C(C)C)C(O)=CC2=C1C=C(C(=O)O2)C1=C(O)C=C(O)C=C1formulaC21H20O6inchiInChI=1S/C21H20O6/c1-11(2)4-6-14-18(24)10-19-16(20(14)26-3)9-15(21(25)27-19)13-7-5-12(22)8-17(13)23/h4-5,7-10,22-24H,6H2,1-3H3inchikeyNZYSZZDSYIBYLC-UHFFFAOYSA-Npolar_surface_area96.22refractivity102.65polarizability39.01rotatable_bond_count4acceptor_count5donor_count3physiological_charge0formal_charge0Specdb::CMs14940Specdb::CMs45733Specdb::CMs132358Specdb::CMs140092Specdb::MsMs103392Specdb::MsMs103393Specdb::MsMs103394Specdb::MsMs169422Specdb::MsMs169423Specdb::MsMs169424Specdb::MsMs2240561Specdb::MsMs2241166Specdb::MsMs2449342Specdb::MsMs2449343Specdb::MsMs2449344Specdb::MsMs2485599Specdb::MsMs2485600Specdb::MsMs2485601HMDB38225#<Reference:0x0000555676016068>#<Reference:0x0000555676015d98>Root vegetablesUnknowngeneric