1.0 2010-04-08 22:15:28 UTC 2019-11-26 03:19:53 UTC FDB021104 Panaxydol linoleate Constituent of Panax ginseng (ginseng). Panaxydol linoleate is found in tea. Panaxydol linoleate C35H54O3 522.8015 522.407295594 8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-yl (9E,12E)-octadeca-9,12-dienoate 8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-yl (9E,12E)-octadeca-9,12-dienoate 155551-19-2 CCCCCCCC1OC1CC#CC#CC(OC(=O)CCCCCCC\C=C\C\C=C\CCCCC)C=C InChI=1S/C35H54O3/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-22-27-31-35(36)37-32(6-3)28-24-23-26-30-34-33(38-34)29-25-21-10-8-5-2/h6,12-13,15-16,32-34H,3-5,7-11,14,17-22,25,27,29-31H2,1-2H3/b13-12+,16-15+ MGQITZGZKLABCX-XUPYMNJSSA-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 heteromonocyclic compounds Carbonyl compounds Carboxylic acid esters Dialkyl ethers Epoxides Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Ether Fatty acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Octadecanoid Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane logp 9.00 ALOGPS logs -6.57 ALOGPS solubility 1.40e-04 g/l ALOGPS logp 11.6 ChemAxon pka_strongest_acidic 18.65 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-yl (9E,12E)-octadeca-9,12-dienoate ChemAxon average_mass 522.8015 ChemAxon mono_mass 522.407295594 ChemAxon smiles CCCCCCCC1OC1CC#CC#CC(OC(=O)CCCCCCC\C=C\C\C=C\CCCCC)C=C ChemAxon formula C35H54O3 ChemAxon inchi InChI=1S/C35H54O3/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-22-27-31-35(36)37-32(6-3)28-24-23-26-30-34-33(38-34)29-25-21-10-8-5-2/h6,12-13,15-16,32-34H,3-5,7-11,14,17-22,25,27,29-31H2,1-2H3/b13-12+,16-15+ ChemAxon inchikey MGQITZGZKLABCX-XUPYMNJSSA-N ChemAxon polar_surface_area 38.83 ChemAxon refractivity 164.7 ChemAxon polarizability 67.61 ChemAxon rotatable_bond_count 27 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 296809 Specdb::MsMs 296810 Specdb::MsMs 296811 Specdb::MsMs 338179 Specdb::MsMs 338180 Specdb::MsMs 338181 Specdb::MsMs 2758509 Specdb::MsMs 2758510 Specdb::MsMs 2758511 Specdb::MsMs 2950713 Specdb::MsMs 2950714 Specdb::MsMs 2950715 Specdb::CMs 13955 HMDB41205 #<Reference:0x000055ce31654258> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442