1.0 2010-04-08 22:13:42 UTC 2019-11-26 03:16:07 UTC FDB018414 Panaquinquecol 2 Constituent of Panax quinquefolium (American ginseng). Panaquinquecol 2 is found in tea. 1-(3-Heptyloxiranyl)-7-octene-2,4-diyne-1,6-diol, 9CI 9,10-Epoxy-1-heptadecene-4,6-diyne-3,8-diol Panaquinquecol 2 PQ 2 C17H24O3 276.3707 276.172544634 1-(3-heptyloxiran-2-yl)oct-7-en-2,4-diyne-1,6-diol 1-(3-heptyloxiran-2-yl)oct-7-en-2,4-diyne-1,6-diol 133921-58-1 CCCCCCCC1OC1C(O)C#CC#CC(O)C=C InChI=1S/C17H24O3/c1-3-5-6-7-8-13-16-17(20-16)15(19)12-10-9-11-14(18)4-2/h4,14-19H,2-3,5-8,13H2,1H3 UJQVRPFUQYYCTH-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. Fatty alcohols Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Aliphatic heteromonocyclic compounds Dialkyl ethers Epoxides Hydrocarbon derivatives Oxacyclic compounds Secondary alcohols Alcohol Aliphatic heteromonocyclic compound Dialkyl ether Ether Fatty alcohol Hydrocarbon derivative Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Secondary alcohol logp 3.40 ALOGPS logs -4.26 ALOGPS solubility 1.52e-02 g/l ALOGPS logp 3.59 ChemAxon pka_strongest_acidic 12.27 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 1-(3-heptyloxiran-2-yl)oct-7-en-2,4-diyne-1,6-diol ChemAxon average_mass 276.3707 ChemAxon mono_mass 276.172544634 ChemAxon smiles CCCCCCCC1OC1C(O)C#CC#CC(O)C=C ChemAxon formula C17H24O3 ChemAxon inchi InChI=1S/C17H24O3/c1-3-5-6-7-8-13-16-17(20-16)15(19)12-10-9-11-14(18)4-2/h4,14-19H,2-3,5-8,13H2,1H3 ChemAxon inchikey UJQVRPFUQYYCTH-UHFFFAOYSA-N ChemAxon polar_surface_area 52.99 ChemAxon refractivity 80.88 ChemAxon polarizability 33.68 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26028 Specdb::CMs 46161 Specdb::CMs 146621 Specdb::MsMs 85821 Specdb::MsMs 85822 Specdb::MsMs 85823 Specdb::MsMs 147990 Specdb::MsMs 147991 Specdb::MsMs 147992 Specdb::MsMs 2841261 Specdb::MsMs 2841262 Specdb::MsMs 2841263 Specdb::MsMs 2863788 Specdb::MsMs 2863789 Specdb::MsMs 2863790 HMDB38938 #<Reference:0x000055ce32c5c528> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442