1.0 2010-04-08 22:15:28 UTC 2019-11-26 03:19:53 UTC FDB021100 Panaquinquecol 7 Constituent of Panax quinquefolium (American ginseng). Panaquinquecol 7 is found in tea. 9,10-Epoxy-1-hydroxy-4,6-heptadecadiyn-3-one Panaquinquecol 7 PQ 7 C17H24O3 276.3707 276.172544634 8-(3-heptyloxiran-2-yl)-1-hydroxyocta-4,6-diyn-3-one 8-(3-heptyloxiran-2-yl)-1-hydroxyocta-4,6-diyn-3-one 155519-47-4 CCCCCCCC1OC1CC#CC#CC(=O)CCO InChI=1S/C17H24O3/c1-2-3-4-5-8-11-16-17(20-16)12-9-6-7-10-15(19)13-14-18/h16-18H,2-5,8,11-14H2,1H3 XEUPFPHHPCQXFV-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 Beta-hydroxy ketones Dialkyl ethers Epoxides Hydrocarbon derivatives Organic oxides Oxacyclic compounds Primary alcohols b'-hydroxy-alpha,beta-unsaturated ketones Alcohol Aliphatic heteromonocyclic compound Alpha,beta-unsaturated ketone B'-hydroxy-alpha,beta-unsaturated-ketone Beta-hydroxy ketone Carbonyl group Dialkyl ether Ether Fatty alcohol Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Primary alcohol logp 3.94 ALOGPS logs -4.37 ALOGPS solubility 1.19e-02 g/l ALOGPS logp 3.94 ChemAxon pka_strongest_acidic 15.68 ChemAxon pka_strongest_basic -2.5 ChemAxon iupac 8-(3-heptyloxiran-2-yl)-1-hydroxyocta-4,6-diyn-3-one ChemAxon average_mass 276.3707 ChemAxon mono_mass 276.172544634 ChemAxon smiles CCCCCCCC1OC1CC#CC#CC(=O)CCO ChemAxon formula C17H24O3 ChemAxon inchi InChI=1S/C17H24O3/c1-2-3-4-5-8-11-16-17(20-16)12-9-6-7-10-15(19)13-14-18/h16-18H,2-5,8,11-14H2,1H3 ChemAxon inchikey XEUPFPHHPCQXFV-UHFFFAOYSA-N ChemAxon polar_surface_area 49.83 ChemAxon refractivity 80.73 ChemAxon polarizability 33.76 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24064 Specdb::CMs 47174 Specdb::CMs 137780 Specdb::CMs 145514 Specdb::MsMs 319324 Specdb::MsMs 319325 Specdb::MsMs 319326 Specdb::MsMs 366397 Specdb::MsMs 366398 Specdb::MsMs 366399 Specdb::MsMs 2436427 Specdb::MsMs 2436428 Specdb::MsMs 2436429 Specdb::MsMs 2526672 Specdb::MsMs 2526673 Specdb::MsMs 2526674 HMDB41201 #<Reference:0x000055ce32105080> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442