1.02010-04-08 22:05:28 UTC2019-11-26 02:57:48 UTCFDB002675TambulinTambulin, also known as herbacetin 7,8,4'-trimethyl ether, is a member of the class of compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position. Thus, tambulin is considered to be a flavonoid lipid molecule. Tambulin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Tambulin can be found in sunflower, which makes tambulin a potential biomarker for the consumption of this food product. 3,5-Dihydroxy-4',7,8-trimethoxyflavone5-Hydroxy-4',7,8-trimethoxyflavonolHerbacetin 7,8,4'-trimethyl etherTambulinC18H16O7344.3154344.0896028663,5-dihydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-onetambulin571-72-2COC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C(OC)=C(OC)C=C2OInChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-15(21)14(20)13-11(19)8-12(23-2)17(24-3)18(13)25-16/h4-8,19,21H,1-3H3KAPZSMYEZDLAFB-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position.FlavonolsOrganic compoundsPhenylpropanoids and polyketidesFlavonoidsFlavonesAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoids3-hydroxyflavonoids4'-O-methylated flavonoids5-hydroxyflavonoids7-O-methylated flavonoids8-O-methylated flavonoidsAlkyl aryl ethersAnisolesChromonesHeteroaromatic compoundsHydrocarbon derivativesMethoxybenzenesOrganic oxidesOxacyclic compoundsPhenoxy compoundsPyranones and derivativesVinylogous acids1-benzopyran1-hydroxy-2-unsubstituted benzenoid3-hydroxyflavone3-hydroxyflavonoid4p-methoxyflavonoid-skeleton5-hydroxyflavonoid7-methoxyflavonoid-skeleton8-methoxyflavonoid-skeletonAlkyl aryl etherAnisoleAromatic heteropolycyclic compoundBenzenoidBenzopyranChromoneEtherHeteroaromatic compoundHydrocarbon derivativeHydroxyflavonoidMethoxybenzeneMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenol etherPhenoxy compoundPyranPyranoneVinylogous acidFlavones and FlavonolsFlavones and Flavonolsdihydroxyflavoneflavonolsflavonolstrimethoxyflavonelogp2.25logs-3.82solubility5.25e-02 g/lmelting_pointMp 205°logp2.59pka_strongest_acidic8.5pka_strongest_basic-3.9iupac3,5-dihydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-oneaverage_mass344.3154mono_mass344.089602866smilesCOC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C(OC)=C(OC)C=C2OformulaC18H16O7inchiInChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-15(21)14(20)13-11(19)8-12(23-2)17(24-3)18(13)25-16/h4-8,19,21H,1-3H3inchikeyKAPZSMYEZDLAFB-UHFFFAOYSA-Npolar_surface_area94.45refractivity90.31polarizability34.61rotatable_bond_count4acceptor_count7donor_count2physiological_charge0formal_charge0Specdb::MsMs93672Specdb::MsMs93673Specdb::MsMs93674Specdb::MsMs157491Specdb::MsMs157492Specdb::MsMs157493Specdb::MsMs3599110Specdb::MsMs3599111Specdb::MsMs3599112Specdb::MsMs3599113Specdb::MsMs3599114Specdb::MsMs3599115SunflowerType 1specificHelianthus annuus4232