1.02010-04-08 22:05:09 UTC2019-11-26 02:56:43 UTCFDB001897HexahydrocurcuminHexahydrocurcumin is a member of the class of compounds known as curcuminoids. Curcuminoids are aromatic compounds containing a curcumin moiety, which is composed of two aryl buten-2-one (feruloyl) chromophores joined by a methylene group. Hexahydrocurcumin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Hexahydrocurcumin can be found in ginger, which makes hexahydrocurcumin a potential biomarker for the consumption of this food product. 1,7-Bis(4-hydroxy-3-methoxyphenyl)-5-heptanol-3-oneC21H26O6374.4275374.1729385645-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptan-3-one5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptan-3-one36062-05-2COC1=C(O)C=CC(CCC(O)CC(=O)CCC2=CC(OC)=C(O)C=C2)=C1InChI=1S/C21H26O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,16,22,24-25H,3-4,7-8,13H2,1-2H3RSAHICAPUYTWHW-UHFFFAOYSA-N belongs to the class of organic compounds known as curcuminoids. These are aromatic compounds containing a curcumin moiety, which is composed of two aryl buten-2-one (feruloyl) chromophores joined by a methylene group.CurcuminoidsOrganic compoundsPhenylpropanoids and polyketidesDiarylheptanoidsLinear diarylheptanoidsAromatic homomonocyclic compounds1-hydroxy-2-unsubstituted benzenoidsAlkyl aryl ethersAnisolesBeta-hydroxy ketonesFatty alcoholsGingerolsHydrocarbon derivativesMethoxybenzenesOrganic oxidesPhenoxy compoundsSecondary alcohols1-hydroxy-2-unsubstituted benzenoidAlcoholAlkyl aryl etherAnisoleAromatic homomonocyclic compoundBenzenoidBeta-hydroxy ketoneCarbonyl groupCurcuminEtherFatty acylFatty alcoholGingerolHydrocarbon derivativeKetoneMethoxybenzeneMethoxyphenolMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganooxygen compoundPhenolPhenol etherPhenoxy compoundSecondary alcoholdiarylheptanoidlogp2.87logs-4.69solubility7.70e-03 g/llogp3.4pka_strongest_acidic9.78pka_strongest_basic-2.8iupac5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptan-3-oneaverage_mass374.4275mono_mass374.172938564smilesCOC1=C(O)C=CC(CCC(O)CC(=O)CCC2=CC(OC)=C(O)C=C2)=C1formulaC21H26O6inchiInChI=1S/C21H26O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,16,22,24-25H,3-4,7-8,13H2,1-2H3inchikeyRSAHICAPUYTWHW-UHFFFAOYSA-Npolar_surface_area96.22refractivity102.45polarizability40.39rotatable_bond_count10acceptor_count6donor_count3physiological_charge0formal_charge0Specdb::MsMs47196Specdb::MsMs47197Specdb::MsMs47198Specdb::MsMs147156Specdb::MsMs147157Specdb::MsMs147158Specdb::MsMs3599029Specdb::MsMs3599030Specdb::MsMs3599031Specdb::MsMs3599032Specdb::MsMs3599033Specdb::MsMs3599034GingerType 1specificZingiber officinale94328cholagogue800choleretic801