1.0 2010-04-08 22:15:30 UTC 2019-11-26 03:19:58 UTC FDB021158 Demethoxyshogaol Constituent of ginger (Zingiber officinale). Demethoxyshogaol is found in herbs and spices. 1-(4-Hydroxyphenyl)-4-decen-3-one Demethoxyshogaol C16H22O2 246.3447 246.161979948 (4E)-1-(4-hydroxyphenyl)dec-4-en-3-one (4E)-1-(4-hydroxyphenyl)dec-4-en-3-one 153311-54-7 CCCCC\C=C\C(=O)CCC1=CC=C(O)C=C1 InChI=1S/C16H22O2/c1-2-3-4-5-6-7-15(17)11-8-14-9-12-16(18)13-10-14/h6-7,9-10,12-13,18H,2-5,8,11H2,1H3/b7-6+ SPJVWQSNXPEUKK-VOTSOKGWSA-N belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that are unsubstituted at the 2-position. 1-hydroxy-2-unsubstituted benzenoids Organic compounds Benzenoids Phenols 1-hydroxy-2-unsubstituted benzenoids Aromatic homomonocyclic compounds Acryloyl compounds Benzene and substituted derivatives Enones Hydrocarbon derivatives Ketones Organic oxides 1-hydroxy-2-unsubstituted benzenoid Acryloyl-group Alpha,beta-unsaturated ketone Aromatic homomonocyclic compound Carbonyl group Enone Hydrocarbon derivative Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound logp 4.94 ALOGPS logs -4.59 ALOGPS solubility 6.37e-03 g/l ALOGPS logp 5 ChemAxon pka_strongest_acidic 9.51 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac (4E)-1-(4-hydroxyphenyl)dec-4-en-3-one ChemAxon average_mass 246.3447 ChemAxon mono_mass 246.161979948 ChemAxon smiles CCCCC\C=C\C(=O)CCC1=CC=C(O)C=C1 ChemAxon formula C16H22O2 ChemAxon inchi InChI=1S/C16H22O2/c1-2-3-4-5-6-7-15(17)11-8-14-9-12-16(18)13-10-14/h6-7,9-10,12-13,18H,2-5,8,11H2,1H3/b7-6+ ChemAxon inchikey SPJVWQSNXPEUKK-VOTSOKGWSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 76.22 ChemAxon polarizability 29.37 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25928 Specdb::CMs 47205 Specdb::CMs 156473 Specdb::MsMs 323425 Specdb::MsMs 323426 Specdb::MsMs 323427 Specdb::MsMs 371584 Specdb::MsMs 371585 Specdb::MsMs 371586 Specdb::MsMs 2763505 Specdb::MsMs 2763506 Specdb::MsMs 2763507 Specdb::MsMs 2942410 Specdb::MsMs 2942411 Specdb::MsMs 2942412 HMDB41250 #<Reference:0x000055ce328439c8> Herbs and Spices Unknown generic