1.0 2010-04-08 22:07:47 UTC 2020-02-24 19:10:48 UTC FDB007808 Methyl-[10]-shogaol Isolated from ginger (Zingiber officinale) [DFC]. Methyl-[10]-shogaol is found in ginger. 1-(3,4-Dimethoxyphenyl)-4-tetradecen-3-one Methyl[10]-shogaol C22H34O3 346.5036 346.250794954 (4E)-1-(3,4-dimethoxyphenyl)tetradec-4-en-3-one (4E)-1-(3,4-dimethoxyphenyl)tetradec-4-en-3-one CCCCCCCCC\C=C\C(=O)CCC1=CC(OC)=C(OC)C=C1 InChI=1S/C22H34O3/c1-4-5-6-7-8-9-10-11-12-13-20(23)16-14-19-15-17-21(24-2)22(18-19)25-3/h12-13,15,17-18H,4-11,14,16H2,1-3H3/b13-12+ KKRNHCNPKJGKDR-OUKQBFOZSA-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 6.75 ALOGPS logs -6.75 ALOGPS solubility 6.13e-05 g/l ALOGPS logp 6.77 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac (4E)-1-(3,4-dimethoxyphenyl)tetradec-4-en-3-one ChemAxon average_mass 346.5036 ChemAxon mono_mass 346.250794954 ChemAxon smiles CCCCCCCCC\C=C\C(=O)CCC1=CC(OC)=C(OC)C=C1 ChemAxon formula C22H34O3 ChemAxon inchi InChI=1S/C22H34O3/c1-4-5-6-7-8-9-10-11-12-13-20(23)16-14-19-15-17-21(24-2)22(18-19)25-3/h12-13,15,17-18H,4-11,14,16H2,1-3H3/b13-12+ ChemAxon inchikey KKRNHCNPKJGKDR-OUKQBFOZSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 105.57 ChemAxon polarizability 42.69 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12424 Specdb::CMs 154205 Specdb::MsMs 96381 Specdb::MsMs 96382 Specdb::MsMs 96383 Specdb::MsMs 160851 Specdb::MsMs 160852 Specdb::MsMs 160853 Specdb::MsMs 2789479 Specdb::MsMs 2789480 Specdb::MsMs 2789481 Specdb::MsMs 2919428 Specdb::MsMs 2919429 Specdb::MsMs 2919430 HMDB31465 #<Reference:0x000055ce3230eb38> Ginger Type 1 specific Zingiber officinale 94328