1.0 2010-04-08 22:05:09 UTC 2025-11-18 22:33:28 UTC FDB001897 Hexahydrocurcumin Hexahydrocurcumin 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-one C21H26O6 374.4275 374.172938564 5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptan-3-one 5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptan-3-one 36062-05-2 COC1=C(O)C=CC(CCC(O)CC(=O)CCC2=CC(OC)=C(O)C=C2)=C1 InChI=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,3-4,7-8,13H2,1-2H3 RSAHICAPUYTWHW-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. Curcuminoids Organic compounds Phenylpropanoids and polyketides Diarylheptanoids Linear diarylheptanoids Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Beta-hydroxy ketones Fatty alcohols Gingerols Hydrocarbon derivatives Methoxybenzenes Organic oxides Phenoxy compounds Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid Alcohol Alkyl aryl ether Anisole Aromatic homomonocyclic compound Benzenoid Beta-hydroxy ketone Carbonyl group Curcumin Ether Fatty acyl Fatty alcohol Gingerol Hydrocarbon derivative Ketone Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Secondary alcohol diarylheptanoid logp 2.87 ALOGPS logs -4.69 ALOGPS solubility 7.70e-03 g/l ALOGPS logp 3.4 ChemAxon pka_strongest_acidic 9.78 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptan-3-one ChemAxon average_mass 374.4275 ChemAxon mono_mass 374.172938564 ChemAxon smiles COC1=C(O)C=CC(CCC(O)CC(=O)CCC2=CC(OC)=C(O)C=C2)=C1 ChemAxon formula C21H26O6 ChemAxon inchi InChI=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,3-4,7-8,13H2,1-2H3 ChemAxon inchikey RSAHICAPUYTWHW-UHFFFAOYSA-N ChemAxon polar_surface_area 96.22 ChemAxon refractivity 102.45 ChemAxon polarizability 40.39 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 47196 Specdb::MsMs 47197 Specdb::MsMs 47198 Specdb::MsMs 147156 Specdb::MsMs 147157 Specdb::MsMs 147158 Specdb::MsMs 3599029 Specdb::MsMs 3599030 Specdb::MsMs 3599031 Specdb::MsMs 3599032 Specdb::MsMs 3599033 Specdb::MsMs 3599034 Ginger Type 1 specific Zingiber officinale 94328 Cholagogue 800 Choleretic 801