1.02010-04-08 22:06:49 UTC2020-02-24 19:11:07 UTCFDB005736PectolinarigeninPectolinarigenin, also known as 5,7-dihydroxy-4',6-dimethoxyflavone or 4'-methylcapillarisin, is a member of the class of compounds known as 6-o-methylated flavonoids. 6-o-methylated flavonoids are flavonoids with methoxy groups attached to the C6 atom of the flavonoid backbone. Thus, pectolinarigenin is considered to be a flavonoid lipid molecule. Pectolinarigenin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pectolinarigenin can be found in sunflower and tarragon, which makes pectolinarigenin a potential biomarker for the consumption of these food products. Pectolinarigenin is a Cirsium isolate with anti-inflammatory activity and belongs to the flavones .5, 7-Dihydroxy-4',6-dimethoxyflavone5,7-Dihydroxy-4',6-dimethoxyflavone5,7-Dihydroxy-6-methoxy-2-(4-methoxyphenyl)-4-benzopyrone5,7-Dihydroxy-6, 4'-dimethoxyflavone5,7-Dihydroxy-6,4'-dimethoxyflavoneFlavone, 5,7-dihydroxy-4',6-dimethoxy-Flavone, 5,7-dihydroxy-4',6-dimethoxy- (8CI)PectolinarigeninPectolinaringeninC17H14O6314.2895314.079038185,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-onepectolinarigenin520-12-7COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C(OC)=C2OInChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)13-7-11(18)15-14(23-13)8-12(19)17(22-2)16(15)20/h3-8,19-20H,1-2H3GPQLHGCIAUEJQK-UHFFFAOYSA-N belongs to the class of organic compounds known as 6-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C6 atom of the flavonoid backbone.6-O-methylated flavonoidsOrganic compoundsPhenylpropanoids and polyketidesFlavonoidsO-methylated flavonoidsAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4'-O-methylated flavonoids5-hydroxyflavonoids7-hydroxyflavonoidsAlkyl aryl ethersAnisolesChromonesFlavonesHeteroaromatic compoundsHydrocarbon derivativesMethoxybenzenesOrganic oxidesOxacyclic compoundsPhenoxy compoundsPyranones and derivativesVinylogous acids1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid4p-methoxyflavonoid-skeleton5-hydroxyflavonoid6-methoxyflavonoid-skeleton7-hydroxyflavonoidAlkyl aryl etherAnisoleAromatic heteropolycyclic compoundBenzenoidBenzopyranChromoneEtherFlavoneHeteroaromatic compoundHydrocarbon derivativeHydroxyflavonoidMethoxybenzeneMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenol etherPhenoxy compoundPyranPyranoneVinylogous acidFlavones and Flavonolsdihydroxyflavonedimethoxyflavonelogp3.27logs-3.86solubility4.31e-02 g/lmelting_point221 oClogp2.69pka_strongest_acidic7.1pka_strongest_basic-4.5iupac5,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-oneaverage_mass314.2895mono_mass314.07903818smilesCOC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C(OC)=C2OformulaC17H14O6inchiInChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)13-7-11(18)15-14(23-13)8-12(19)17(22-2)16(15)20/h3-8,19-20H,1-2H3inchikeyGPQLHGCIAUEJQK-UHFFFAOYSA-Npolar_surface_area85.22refractivity83.86polarizability31.98rotatable_bond_count3acceptor_count6donor_count2physiological_charge0formal_charge0Specdb::CMs52988Specdb::CMs63176Specdb::CMs163450Specdb::MsMs104472Specdb::MsMs104473Specdb::MsMs104474Specdb::MsMs170760Specdb::MsMs170761Specdb::MsMs170762Specdb::MsMs2824996Specdb::MsMs2824997Specdb::MsMs2824998Specdb::MsMs2854090Specdb::MsMs2854091Specdb::MsMs2854092SunflowerType 1specificHelianthus annuus4232TarragonType 1specificArtemisia dracunculus72341aldose reductase inhibitor40An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of aldehyde reductase (EC 1.1.1.21).cancer preventive754A substance that inhibits or prevents the proliferation of neoplasms.