1.02010-04-08 22:12:43 UTC2019-11-26 03:13:55 UTCFDB016893WharanginIsolated from spinach (Spinacia oleracea). Wharangin is found in green vegetables and spinach.3',4',5-Trihydroxy-3-methoxy-7,8-methylenedioxyflavoneWharanginC17H12O8344.2724344.053217368-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-2H,6H-[1,3]dioxolo[4,5-h]chromen-6-onewharanginCOC1=C(OC2=C(C(O)=CC3=C2OCO3)C1=O)C1=CC(O)=C(O)C=C1InChI=1S/C17H12O8/c1-22-17-13(21)12-10(20)5-11-15(24-6-23-11)16(12)25-14(17)7-2-3-8(18)9(19)4-7/h2-5,18-20H,6H2,1H3NOZQEJFGIXKUPM-UHFFFAOYSA-N belongs to the class of organic compounds known as 3-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C3 atom of the flavonoid backbone.3-O-methylated flavonoidsOrganic compoundsPhenylpropanoids and polyketidesFlavonoidsO-methylated flavonoidsAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids3-methoxychromones4'-hydroxyflavonoids5-hydroxyflavonoidsAcetalsAlkyl aryl ethersBenzene and substituted derivativesBenzodioxolesCatecholsFlavonesHeteroaromatic compoundsHydrocarbon derivativesOrganic oxidesOxacyclic compoundsPyranones and derivativesVinylogous acids1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoid3-methoxychromone3-methoxyflavonoid-skeleton4'-hydroxyflavonoid5-hydroxyflavonoidAcetalAlkyl aryl etherAromatic heteropolycyclic compoundBenzenoidBenzodioxoleBenzopyranCatecholChromoneEtherFlavoneHeteroaromatic compoundHydrocarbon derivativeHydroxyflavonoidMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenolPyranPyranoneVinylogous acidFlavones and Flavonolslogp2.63logs-3.27solubility1.84e-01 g/lmelting_pointMp 277-278°logp2.2pka_strongest_acidic8.34pka_strongest_basic-4.5iupac8-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-2H,6H-[1,3]dioxolo[4,5-h]chromen-6-oneaverage_mass344.2724mono_mass344.05321736smilesCOC1=C(OC2=C(C(O)=CC3=C2OCO3)C1=O)C1=CC(O)=C(O)C=C1formulaC17H12O8inchiInChI=1S/C17H12O8/c1-22-17-13(21)12-10(20)5-11-15(24-6-23-11)16(12)25-14(17)7-2-3-8(18)9(19)4-7/h2-5,18-20H,6H2,1H3inchikeyNOZQEJFGIXKUPM-UHFFFAOYSA-Npolar_surface_area114.68refractivity85.4polarizability32.78rotatable_bond_count2acceptor_count8donor_count3physiological_charge0formal_charge0Specdb::CMs15292Specdb::CMs45532Specdb::CMs146591Specdb::MsMs84543Specdb::MsMs84544Specdb::MsMs84545Specdb::MsMs146427Specdb::MsMs146428Specdb::MsMs146429Specdb::MsMs2336470Specdb::MsMs2336471Specdb::MsMs2336472Specdb::MsMs2629985Specdb::MsMs2629986Specdb::MsMs2629987HMDB37754#<Reference:0x00005556758a4a50>Green vegetablesUnknowngenericSpinachType 1specificSpinacia oleracea3562