1.02010-04-08 22:06:56 UTC2019-11-26 03:00:54 UTCFDB005989ChrysosplenetinChrysosplenetin, also known as quercetagetin 3,6,7,3'-tetramethyl ether or 3,6,7,3'-tetra-methylquercetagetin, is a member of the class of compounds known as 7-o-methylated flavonoids. 7-o-methylated flavonoids are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Thus, chrysosplenetin is considered to be a flavonoid lipid molecule. Chrysosplenetin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Chrysosplenetin can be found in german camomile, which makes chrysosplenetin a potential biomarker for the consumption of this food product. Chrysosplenetin is an O-methylated flavonol. It can be found in the root of Berneuxia thibetica and in Chamomilla recutita .3,6,7,3'-tetra-methylquercetagetin5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxy-4H-1-benzopyran-4-one5,4'-Dihydroxy-3,6,7,3'-tetramethoxyflavoneChrysosplenetinChrysosplenetin bQuercetagetin 3,6,7,3'-tetramethyl etherC19H18O8374.3414374.1001675525-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxy-4H-chromen-4-onechrysosplenetin603-56-5COC1=C(O)C=CC(=C1)C1=C(OC)C(=O)C2=C(O)C(OC)=C(OC)C=C2O1InChI=1S/C19H18O8/c1-23-11-7-9(5-6-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3NBVTYGIYKCPHQN-UHFFFAOYSA-N belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone.7-O-methylated flavonoidsOrganic compoundsPhenylpropanoids and polyketidesFlavonoidsO-methylated flavonoidsAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-O-methylated flavonoids3-O-methylated flavonoids3-methoxychromones4'-hydroxyflavonoids5-hydroxyflavonoids6-O-methylated flavonoidsAlkyl aryl ethersAnisolesFlavonesHeteroaromatic compoundsHydrocarbon derivativesMethoxybenzenesMethoxyphenolsOrganic oxidesOxacyclic compoundsPhenoxy compoundsPyranones and derivativesVinylogous acids1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid3-methoxychromone3-methoxyflavonoid-skeleton3p-methoxyflavonoid-skeleton4'-hydroxyflavonoid5-hydroxyflavonoid6-methoxyflavonoid-skeleton7-methoxyflavonoid-skeletonAlkyl aryl etherAnisoleAromatic heteropolycyclic compoundBenzenoidBenzopyranChromoneEtherFlavoneHeteroaromatic compoundHydrocarbon derivativeHydroxyflavonoidMethoxybenzeneMethoxyphenolMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenolPhenol etherPhenoxy compoundPyranPyranoneVinylogous acidFlavones and FlavonolsFlavones and Flavonolsa flavonol derivativedihydroxyflavoneflavonolstetramethoxyflavonelogp2.66logs-3.92solubility4.47e-02 g/llogp2.4pka_strongest_acidic8.68pka_strongest_basic-4.3iupac5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxy-4H-chromen-4-oneaverage_mass374.3414mono_mass374.100167552smilesCOC1=C(O)C=CC(=C1)C1=C(OC)C(=O)C2=C(O)C(OC)=C(OC)C=C2O1formulaC19H18O8inchiInChI=1S/C19H18O8/c1-23-11-7-9(5-6-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3inchikeyNBVTYGIYKCPHQN-UHFFFAOYSA-Npolar_surface_area103.68refractivity97.04polarizability37.69rotatable_bond_count5acceptor_count8donor_count2physiological_charge0formal_charge0Specdb::CMs107301Specdb::CMs119648Specdb::CMs862952Specdb::CMs862953Specdb::CMs862954Specdb::CMs862955Specdb::CMs862956Specdb::CMs862957Specdb::MsMs48357Specdb::MsMs48358Specdb::MsMs48359Specdb::MsMs115575Specdb::MsMs115576Specdb::MsMs115577Specdb::MsMs3424094Specdb::MsMs3424095Specdb::MsMs3424096Specdb::MsMs3424097Specdb::MsMs3424098Specdb::MsMs3424099German camomileType 1specificMatricaria recutita127986anti malarial416A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.anti plasmodial532A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.anti viral689A substance that destroys or inhibits replication of viruses.antitumor672A substance that inhibits or prevents the proliferation of neoplasms.parasiticide1198pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.plasmodicide1233protisticide1266