1.0 2010-04-08 22:11:08 UTC 2019-11-26 03:09:38 UTC FDB014187 Panaquinquecol 6 Constituent of Panax quinquefolium (American ginseng). Panaquinquecol 6 is found in tea. 2-Oxobicyclo[2.2.1]heptane-1-carboxylic acid Panaquinquecol 6 PQ 6 C19H26O4 318.4073 318.18310932 1-(3-heptyloxiran-2-yl)-6-hydroxyoct-7-en-2,4-diyn-1-yl acetate 1-(3-heptyloxiran-2-yl)-6-hydroxyoct-7-en-2,4-diyn-1-yl acetate 145400-15-3 CCCCCCCC1OC1C(OC(C)=O)C#CC#CC(O)C=C InChI=1S/C19H26O4/c1-4-6-7-8-9-13-18-19(23-18)17(22-15(3)20)14-11-10-12-16(21)5-2/h5,16-19,21H,2,4,6-9,13H2,1,3H3 GWHBQXMCXHWXBO-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. Fatty alcohol esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters Aliphatic heteromonocyclic compounds Carbonyl compounds Carboxylic acid esters Dialkyl ethers Epoxides Fatty alcohols Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Secondary alcohols Alcohol Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Ether Fatty alcohol Fatty alcohol ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Secondary alcohol logp 4.18 ALOGPS logs -4.54 ALOGPS solubility 9.19e-03 g/l ALOGPS logp 4.03 ChemAxon pka_strongest_acidic 13.2 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 1-(3-heptyloxiran-2-yl)-6-hydroxyoct-7-en-2,4-diyn-1-yl acetate ChemAxon average_mass 318.4073 ChemAxon mono_mass 318.18310932 ChemAxon smiles CCCCCCCC1OC1C(OC(C)=O)C#CC#CC(O)C=C ChemAxon formula C19H26O4 ChemAxon inchi InChI=1S/C19H26O4/c1-4-6-7-8-9-13-18-19(23-18)17(22-15(3)20)14-11-10-12-16(21)5-2/h5,16-19,21H,2,4,6-9,13H2,1,3H3 ChemAxon inchikey GWHBQXMCXHWXBO-UHFFFAOYSA-N ChemAxon polar_surface_area 59.06 ChemAxon refractivity 90.03 ChemAxon polarizability 37.53 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16201 Specdb::CMs 44415 Specdb::CMs 131263 Specdb::CMs 138997 Specdb::MsMs 78447 Specdb::MsMs 78448 Specdb::MsMs 78449 Specdb::MsMs 138795 Specdb::MsMs 138796 Specdb::MsMs 138797 Specdb::MsMs 2666869 Specdb::MsMs 2666870 Specdb::MsMs 2666871 Specdb::MsMs 3011496 Specdb::MsMs 3011497 Specdb::MsMs 3011498 HMDB35500 #<Reference:0x00007f0910516010> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442