1.0 2010-04-08 22:14:19 UTC 2019-11-26 03:17:26 UTC FDB019379 (all-E)-1,8,10-Heptadecatriene-4,6-diyne-3,12-diol Constituent of ginseng. (all-E)-1,8,10-Heptadecatriene-4,6-diyne-3,12-diol is found in tea. C17H22O2 258.3554 258.161979948 (8E,10E)-heptadeca-1,8,10-trien-4,6-diyne-3,12-diol (8E,10E)-heptadeca-1,8,10-trien-4,6-diyne-3,12-diol 143966-10-3 CCCCCC(O)\C=C\C=C\C#CC#CC(O)C=C InChI=1S/C17H22O2/c1-3-5-10-14-17(19)15-12-9-7-6-8-11-13-16(18)4-2/h4,7,9,12,15-19H,2-3,5,10,14H2,1H3/b9-7+,15-12+ ADJNQGJVAJRCCO-KDFHGORWSA-N belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. Long-chain fatty alcohols Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Aliphatic acyclic compounds Hydrocarbon derivatives Secondary alcohols Alcohol Aliphatic acyclic compound Hydrocarbon derivative Long chain fatty alcohol Organic oxygen compound Organooxygen compound Secondary alcohol logp 3.91 ALOGPS logs -4.44 ALOGPS solubility 9.28e-03 g/l ALOGPS logp 3.86 ChemAxon pka_strongest_acidic 13.18 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac (8E,10E)-heptadeca-1,8,10-trien-4,6-diyne-3,12-diol ChemAxon average_mass 258.3554 ChemAxon mono_mass 258.161979948 ChemAxon smiles CCCCCC(O)\C=C\C=C\C#CC#CC(O)C=C ChemAxon formula C17H22O2 ChemAxon inchi InChI=1S/C17H22O2/c1-3-5-10-14-17(19)15-12-9-7-6-8-11-13-16(18)4-2/h4,7,9,12,15-19H,2-3,5,10,14H2,1H3/b9-7+,15-12+ ChemAxon inchikey ADJNQGJVAJRCCO-KDFHGORWSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 83.9 ChemAxon polarizability 32.39 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12852 Specdb::CMs 46547 Specdb::CMs 146576 Specdb::MsMs 56391 Specdb::MsMs 56392 Specdb::MsMs 56393 Specdb::MsMs 111789 Specdb::MsMs 111790 Specdb::MsMs 111791 Specdb::MsMs 2832660 Specdb::MsMs 2832661 Specdb::MsMs 2832662 Specdb::MsMs 2850304 Specdb::MsMs 2850305 Specdb::MsMs 2850306 HMDB39737 #<Reference:0x000055ce30f71350> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442