1.0 2010-04-08 22:05:09 UTC 2025-11-18 22:33:25 UTC FDB001888 [4]-Shogaol [4]-shogaol is a member of the class of compounds known as shogaols. Shogaols are ginger derivatives containing a shogaol moiety, which consists of a benzene ring bearing a dec-4-en-3-one moiety, a methoxyphenyl group, a hydroxyl group and at positions 1, 3, and 4, respectively. [4]-shogaol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). [4]-shogaol can be found in ginger, which makes [4]-shogaol a potential biomarker for the consumption of this food product. C15H20O3 248.3175 248.141244506 (4E)-1-(4-hydroxy-3-methoxyphenyl)oct-4-en-3-one (4E)-1-(4-hydroxy-3-methoxyphenyl)oct-4-en-3-one 211176-76-0 CCC\C=C\C(=O)CCC1=CC(OC)=C(O)C=C1 InChI=1S/C15H20O3/c1-3-4-5-6-13(16)9-7-12-8-10-14(17)15(11-12)18-2/h5-6,8,10-11,17H,3-4,7,9H2,1-2H3/b6-5+ PHHDVGGCTAPBHF-AATRIKPKSA-N belongs to the class of organic compounds known as shogaols. These are ginger derivatives containing a shogaol moiety, which consists of a benzene ring bearing a dec-4-en-3-one moiety, a methoxyphenyl group, a hydroxyl group and at positions 1, 3, and 4, respectively. Shogaols Organic compounds Benzenoids Phenols Methoxyphenols Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acryloyl compounds Alkyl aryl ethers Anisoles Enones Hydrocarbon derivatives Ketones Methoxybenzenes Organic oxides Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoid Acryloyl-group Alkyl aryl ether Alpha,beta-unsaturated ketone Anisole Aromatic homomonocyclic compound Carbonyl group Enone Ether Hydrocarbon derivative Ketone Methoxybenzene Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound Shogaol logp 3.85 ALOGPS logs -3.78 ALOGPS solubility 4.10e-02 g/l ALOGPS logp 3.96 ChemAxon pka_strongest_acidic 9.95 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac (4E)-1-(4-hydroxy-3-methoxyphenyl)oct-4-en-3-one ChemAxon average_mass 248.3175 ChemAxon mono_mass 248.141244506 ChemAxon smiles CCC\C=C\C(=O)CCC1=CC(OC)=C(O)C=C1 ChemAxon formula C15H20O3 ChemAxon inchi InChI=1S/C15H20O3/c1-3-4-5-6-13(16)9-7-12-8-10-14(17)15(11-12)18-2/h5-6,8,10-11,17H,3-4,7,9H2,1-2H3/b6-5+ ChemAxon inchikey PHHDVGGCTAPBHF-AATRIKPKSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 73.48 ChemAxon polarizability 28.72 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 65169 Specdb::MsMs 65170 Specdb::MsMs 65171 Specdb::MsMs 122520 Specdb::MsMs 122521 Specdb::MsMs 122522 Specdb::MsMs 3598942 Specdb::MsMs 3598943 Specdb::MsMs 3598944 Specdb::MsMs 3598945 Specdb::MsMs 3598946 Specdb::MsMs 3598947 Ginger Type 1 specific Zingiber officinale 94328