1.02010-04-08 22:12:50 UTC2019-11-26 03:14:13 UTCFDB017112TetramethylquercetinRetusin(ariocarpus), also known as 5-hydroxy-3,7,3',4'-tetramethoxyflavone or 3,7,3',4'-tetra-O-methylquercetin, 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, retusin(ariocarpus) is considered to be a flavonoid lipid molecule. Retusin(ariocarpus) is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Retusin(ariocarpus) can be found in common oregano and mandarin orange (clementine, tangerine), which makes retusin(ariocarpus) a potential biomarker for the consumption of these food products. 2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one5-Hydroxy-3,3',4',7-tetramethoxyflavone5-Hydroxy-3,7,3',4'-tetramethoxyflavoneFlavone, 5-hydroxy-3,3',4',7-tetramethoxy- (8CI)Quercetin 3,7,3',4'-tetramethyl etherQuercetin 3,7,3',4'-tetramethyletherQuercetin tetramethyletherQuercetin-3,7,3',4'-tetramethyl etherRetusin?TetramethylquercetinC19H18O7358.342358.105252932-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-chromen-4-oneretusin (flavonol)1245-15-4COC1=CC(O)=C2C(=O)C(OC)=C(OC2=C1)C1=CC=C(OC)C(OC)=C1InChI=1S/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3/h5-9,20H,1-4H3HHGPYJLEJGNWJA-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'-O-methylated flavonoids5-hydroxyflavonoidsAlkyl aryl ethersAnisolesDimethoxybenzenesFlavonesHeteroaromatic compoundsHydrocarbon derivativesOrganic oxidesOxacyclic compoundsPhenoxy compoundsPyranones and derivativesVinylogous acids1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid3-methoxychromone3-methoxyflavonoid-skeleton3p-methoxyflavonoid-skeleton4p-methoxyflavonoid-skeleton5-hydroxyflavonoid7-methoxyflavonoid-skeletonAlkyl aryl etherAnisoleAromatic heteropolycyclic compoundBenzenoidBenzopyranChromoneDimethoxybenzeneEtherFlavoneHeteroaromatic compoundHydrocarbon derivativeHydroxyflavonoidMethoxybenzeneMonocyclic benzene moietyO-dimethoxybenzeneOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenol etherPhenoxy compoundPyranPyranoneVinylogous acidFlavones and Flavonolslogp3.31logs-4.25solubility2.01e-02 g/lmelting_pointMp 159-160°logp2.71pka_strongest_acidic8.36pka_strongest_basic-4.3iupac2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-chromen-4-oneaverage_mass358.342mono_mass358.10525293smilesCOC1=CC(O)=C2C(=O)C(OC)=C(OC2=C1)C1=CC=C(OC)C(OC)=C1formulaC19H18O7inchiInChI=1S/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3/h5-9,20H,1-4H3inchikeyHHGPYJLEJGNWJA-UHFFFAOYSA-Npolar_surface_area83.45refractivity95.06polarizability36.66rotatable_bond_count5acceptor_count7donor_count1physiological_charge0formal_charge0Specdb::MsMs55791Specdb::MsMs55792Specdb::MsMs55793Specdb::MsMs111021Specdb::MsMs111022Specdb::MsMs111023Specdb::CMs108663Specdb::CMs121281Specdb::CMs963290Specdb::CMs963291Common oreganoType 1specificOriganum vulgare39352Mandarin orange (Clementine, Tangerine)Type 1specificCitrus reticulata85571antitumor672A substance that inhibits or prevents the proliferation of neoplasms.cytotoxic859A role played by the molecular entity or part thereof which causes the development of a pathological process.