1.0 2010-04-08 22:15:27 UTC 2019-11-26 03:19:50 UTC FDB021068 Panaxynol linoleate Isolated from ginseng. Panaxynol linoleate is found in tea. Panaxynol linoleate C35H54O2 506.8021 506.412380972 (9E)-heptadeca-1,9-dien-4,6-diyn-3-yl (9E,12Z)-octadeca-9,12-dienoate (9E)-heptadeca-1,9-dien-4,6-diyn-3-yl (9E,12Z)-octadeca-9,12-dienoate 155551-18-1 CCCCCCC\C=C\CC#CC#CC(OC(=O)CCCCCCC\C=C\C\C=C/CCCCC)C=C InChI=1S/C35H54O2/c1-4-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35(36)37-34(6-3)32-30-28-26-24-22-18-16-14-12-10-8-5-2/h6,13,15,18-20,22,34H,3-5,7-12,14,16-17,21,23-25,27,29,31,33H2,1-2H3/b15-13-,20-19+,22-18+ QALUBIVHAOUQRD-XEJKXIQKSA-N belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. Lineolic acids and derivatives Organic compounds Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Fatty acid esters Fatty alcohol esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty alcohol ester Hydrocarbon derivative Monocarboxylic acid or derivatives Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound logp 9.21 ALOGPS logs -6.64 ALOGPS solubility 1.15e-04 g/l ALOGPS logp 12.54 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac (9E)-heptadeca-1,9-dien-4,6-diyn-3-yl (9E,12Z)-octadeca-9,12-dienoate ChemAxon average_mass 506.8021 ChemAxon mono_mass 506.412380972 ChemAxon smiles CCCCCCC\C=C\CC#CC#CC(OC(=O)CCCCCCC\C=C\C\C=C/CCCCC)C=C ChemAxon formula C35H54O2 ChemAxon inchi InChI=1S/C35H54O2/c1-4-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35(36)37-34(6-3)32-30-28-26-24-22-18-16-14-12-10-8-5-2/h6,13,15,18-20,22,34H,3-5,7-12,14,16-17,21,23-25,27,29,31,33H2,1-2H3/b15-13-,20-19+,22-18+ ChemAxon inchikey QALUBIVHAOUQRD-XEJKXIQKSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 166.29 ChemAxon polarizability 66.63 ChemAxon rotatable_bond_count 27 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17875 Specdb::MsMs 305587 Specdb::MsMs 305588 Specdb::MsMs 305589 Specdb::MsMs 349018 Specdb::MsMs 349019 Specdb::MsMs 349020 Specdb::MsMs 2776616 Specdb::MsMs 2776617 Specdb::MsMs 2776618 Specdb::MsMs 2901834 Specdb::MsMs 2901835 Specdb::MsMs 2901836 HMDB41177 #<Reference:0x000055ce324b1d50> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442