1.02010-04-08 22:04:39 UTC2020-02-24 19:10:11 UTCFDB000653Limocitrin 3-glucosideConstituent of Citrus subspecies fruit peels. Limocitrin 3-glucoside is found in lemon and citrus.Limocitrin 3-glucosideC23H24O13508.4289508.1216908545,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one38836-51-0COC1=C(O)C=CC(=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O1)C(OC)=C(O)C=C2OInChI=1S/C23H24O13/c1-32-12-5-8(3-4-9(12)25)19-22(36-23-18(31)17(30)15(28)13(7-24)34-23)16(29)14-10(26)6-11(27)20(33-2)21(14)35-19/h3-6,13,15,17-18,23-28,30-31H,7H2,1-2H3XZGXHUKLGCOGII-UHFFFAOYSA-N belongs to the class of organic compounds known as 4'-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C4' atom of the isoflavone backbone.4'-O-methylisoflavonesOrganic compoundsPhenylpropanoids and polyketidesIsoflavonoidsO-methylated isoflavonoidsAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoidsAlkyl aryl ethersAnisolesChromonesDimethoxybenzenesHeteroaromatic compoundsHydrocarbon derivativesHydroxyisoflavonoidsIsoflavonesMethoxyphenolsOrganic oxidesOxacyclic compoundsPhenoxy compoundsPyranones and derivatives1-benzopyran1-hydroxy-2-unsubstituted benzenoid4p-o-methylisoflavoneAlkyl aryl etherAnisoleAromatic heteropolycyclic compoundBenzenoidBenzopyranChromoneDimethoxybenzeneEtherHeteroaromatic compoundHydrocarbon derivativeHydroxyisoflavonoidIsoflavoneM-dimethoxybenzeneMethoxybenzeneMethoxyphenolMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenolPhenol etherPhenoxy compoundPyranPyranoneIsoflavonoidsIsoflavonoidshydroxyisoflavonemethoxyisoflavonelogp0.70logs-2.61solubility1.24e+00 g/lmelting_pointMp 150° (resolidifies and remelts at 240-245°)logp-0.16pka_strongest_acidic6.96pka_strongest_basic-3iupac5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneaverage_mass508.4289mono_mass508.121690854smilesCOC1=C(O)C=CC(=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O1)C(OC)=C(O)C=C2OformulaC23H24O13inchiInChI=1S/C23H24O13/c1-32-12-5-8(3-4-9(12)25)19-22(36-23-18(31)17(30)15(28)13(7-24)34-23)16(29)14-10(26)6-11(27)20(33-2)21(14)35-19/h3-6,13,15,17-18,23-28,30-31H,7H2,1-2H3inchikeyXZGXHUKLGCOGII-UHFFFAOYSA-Npolar_surface_area204.83refractivity120.22polarizability48.25rotatable_bond_count6acceptor_count13donor_count7physiological_charge-1formal_charge0Specdb::CMs12509Specdb::CMs41423Specdb::MsMs10643Specdb::MsMs10644Specdb::MsMs10645Specdb::MsMs17315Specdb::MsMs17316Specdb::MsMs17317Specdb::MsMs2743804Specdb::MsMs2743805Specdb::MsMs2743806Specdb::MsMs2934402Specdb::MsMs2934403Specdb::MsMs2934404Specdb::NmrOneD158510Specdb::NmrOneD158511Specdb::NmrOneD158512Specdb::NmrOneD158513Specdb::NmrOneD158514Specdb::NmrOneD158515Specdb::NmrOneD158516Specdb::NmrOneD158517Specdb::NmrOneD158518Specdb::NmrOneD158519Specdb::NmrOneD158520Specdb::NmrOneD158521Specdb::NmrOneD158522Specdb::NmrOneD158523Specdb::NmrOneD158524Specdb::NmrOneD158525Specdb::NmrOneD158526Specdb::NmrOneD158527Specdb::NmrOneD158528Specdb::NmrOneD158529HMDB29517#<Reference:0x0000555674007718>CitrusUnknowngenericLemonType 1specificCitrus limon2708