1.0 2010-04-08 22:05:09 UTC 2025-11-18 22:33:30 UTC FDB001899 Methyl [8]-Shogaol Isolated from ginger (Zingiber officinale) [DFC]. Methyl [8]-Shogaol is found in ginger. 1-(3,4-Dimethoxyphenyl)-4-dodecen-3-one C20H30O3 318.4504 318.219494826 (4E)-1-(3,4-dimethoxyphenyl)dodec-4-en-3-one (4E)-1-(3,4-dimethoxyphenyl)dodec-4-en-3-one 863780-79-4 CCCCCCC\C=C\C(=O)CCC1=CC(OC)=C(OC)C=C1 InChI=1S/C20H30O3/c1-4-5-6-7-8-9-10-11-18(21)14-12-17-13-15-19(22-2)20(16-17)23-3/h10-11,13,15-16H,4-9,12,14H2,1-3H3/b11-10+ ZNOLGYFCFIVHQI-ZHACJKMWSA-N belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. Dimethoxybenzenes Organic compounds Benzenoids Benzene and substituted derivatives Methoxybenzenes Aromatic homomonocyclic compounds Acryloyl compounds Alkyl aryl ethers Anisoles Enones Hydrocarbon derivatives Ketones Organic oxides Phenoxy compounds Acryloyl-group Alkyl aryl ether Alpha,beta-unsaturated ketone Anisole Aromatic homomonocyclic compound Carbonyl group Dimethoxybenzene Enone Ether Hydrocarbon derivative Ketone O-dimethoxybenzene Organic oxide Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound logp 5.74 ALOGPS logs -6.05 ALOGPS solubility 2.86e-04 g/l ALOGPS logp 5.88 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac (4E)-1-(3,4-dimethoxyphenyl)dodec-4-en-3-one ChemAxon average_mass 318.4504 ChemAxon mono_mass 318.219494826 ChemAxon smiles CCCCCCC\C=C\C(=O)CCC1=CC(OC)=C(OC)C=C1 ChemAxon formula C20H30O3 ChemAxon inchi InChI=1S/C20H30O3/c1-4-5-6-7-8-9-10-11-18(21)14-12-17-13-15-19(22-2)20(16-17)23-3/h10-11,13,15-16H,4-9,12,14H2,1-3H3/b11-10+ ChemAxon inchikey ZNOLGYFCFIVHQI-ZHACJKMWSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 96.37 ChemAxon polarizability 39.4 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19433 Specdb::CMs 158701 Specdb::MsMs 88461 Specdb::MsMs 88462 Specdb::MsMs 88463 Specdb::MsMs 151200 Specdb::MsMs 151201 Specdb::MsMs 151202 Specdb::MsMs 2277893 Specdb::MsMs 2277894 Specdb::MsMs 2277895 Specdb::MsMs 3087031 Specdb::MsMs 3087032 Specdb::MsMs 3087033 HMDB30101 Ginger Type 1 specific Zingiber officinale 94328