1.0 2010-04-08 22:05:09 UTC 2019-11-26 02:56:42 UTC FDB001886 [4]-Gingerol [4]-gingerol is a member of the class of compounds known as gingerols. Gingerols are compounds containing a gingerol moiety, which is structurally characterized by a 4-hydroxy-3-methoxyphenyl group substituted at the C6 carbon atom by a 5-hydroxy-alkane-3-one. [4]-gingerol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). [4]-gingerol can be found in ginger, which makes [4]-gingerol a potential biomarker for the consumption of this food product. C15H22O4 266.3328 266.151809192 (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)octan-3-one (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)octan-3-one 41743-68-4 CCC[C@H](O)CC(=O)CCC1=CC(OC)=C(O)C=C1 InChI=1S/C15H22O4/c1-3-4-12(16)10-13(17)7-5-11-6-8-14(18)15(9-11)19-2/h6,8-9,12,16,18H,3-5,7,10H2,1-2H3/t12-/m0/s1 GDRKZARFCIYVCI-LBPRGKRZSA-N belongs to the class of organic compounds known as gingerols. Gingerols are compounds containing a gingerol moiety, which is structurally characterized by a 4-hydroxy-3-methoxyphenyl group substituted at the C6 carbon atom by a 5-hydroxy-alkane-3-one. Gingerols Organic compounds Benzenoids Phenols Methoxyphenols Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Beta-hydroxy ketones Fatty alcohols Hydrocarbon derivatives Methoxybenzenes Organic oxides Phenoxy compounds Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid Alcohol Alkyl aryl ether Anisole Aromatic homomonocyclic compound Beta-hydroxy ketone Carbonyl group Ether Fatty acyl Fatty alcohol Gingerol Hydrocarbon derivative Ketone Methoxybenzene Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound Secondary alcohol logp 2.51 ALOGPS logs -3.18 ALOGPS solubility 1.77e-01 g/l ALOGPS logp 2.73 ChemAxon pka_strongest_acidic 9.95 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)octan-3-one ChemAxon average_mass 266.3328 ChemAxon mono_mass 266.151809192 ChemAxon smiles CCC[C@H](O)CC(=O)CCC1=CC(OC)=C(O)C=C1 ChemAxon formula C15H22O4 ChemAxon inchi InChI=1S/C15H22O4/c1-3-4-12(16)10-13(17)7-5-11-6-8-14(18)15(9-11)19-2/h6,8-9,12,16,18H,3-5,7,10H2,1-2H3/t12-/m0/s1 ChemAxon inchikey GDRKZARFCIYVCI-LBPRGKRZSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 73.91 ChemAxon polarizability 29.7 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 73677 Specdb::MsMs 73678 Specdb::MsMs 73679 Specdb::MsMs 132903 Specdb::MsMs 132904 Specdb::MsMs 132905 Specdb::MsMs 3598930 Specdb::MsMs 3598931 Specdb::MsMs 3598932 Specdb::MsMs 3598933 Specdb::MsMs 3598934 Specdb::MsMs 3598935 Ginger Type 1 specific Zingiber officinale 94328