1.0 2010-04-08 22:05:48 UTC 2019-11-26 02:59:14 UTC FDB003450 (3S,4S,6R,7S)-1,10-Bisaboladiene-3,4-diol Constituent of Curcuma longa (turmeric). (3S,4S,6R,7S)-1,10-Bisaboladiene-3,4-diol is found in turmeric and herbs and spices. [1S-[1alpha,2beta,5beta(R*)]]-5-(1,5-Dimethyl-4-hexenyl)-2-methyl-3-cyclohexene-1,2-diol 1-Methyl-2,6-diphenyl-4-piperidinone O-benzyloxime C15H26O2 238.3657 238.193280076 2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol 2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol 129673-87-6 CC(CCC=C(C)C)C1CC(O)C(C)(O)C=C1 InChI=1S/C15H26O2/c1-11(2)6-5-7-12(3)13-8-9-15(4,17)14(16)10-13/h6,8-9,12-14,16-17H,5,7,10H2,1-4H3 YRFJMOGROZTYPC-UHFFFAOYSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homomonocyclic compounds 1,2-diols Hydrocarbon derivatives Secondary alcohols Tertiary alcohols 1,2-diol Alcohol Aliphatic homomonocyclic compound Bisabolane sesquiterpenoid Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Sesquiterpenoid Tertiary alcohol logp 3.38 ALOGPS logs -3.01 ALOGPS solubility 2.31e-01 g/l ALOGPS logp 2.96 ChemAxon pka_strongest_acidic 13.5 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol ChemAxon average_mass 238.3657 ChemAxon mono_mass 238.193280076 ChemAxon smiles CC(CCC=C(C)C)C1CC(O)C(C)(O)C=C1 ChemAxon formula C15H26O2 ChemAxon inchi InChI=1S/C15H26O2/c1-11(2)6-5-7-12(3)13-8-9-15(4,17)14(16)10-13/h6,8-9,12-14,16-17H,5,7,10H2,1-4H3 ChemAxon inchikey YRFJMOGROZTYPC-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 73.74 ChemAxon polarizability 28.88 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20836 Specdb::CMs 42458 Specdb::CMs 135455 Specdb::CMs 143189 Specdb::MsMs 8369 Specdb::MsMs 8370 Specdb::MsMs 8371 Specdb::MsMs 15041 Specdb::MsMs 15042 Specdb::MsMs 15043 Specdb::MsMs 2710679 Specdb::MsMs 2710680 Specdb::MsMs 2710681 Specdb::MsMs 2995091 Specdb::MsMs 2995092 Specdb::MsMs 2995093 HMDB31383 #<Reference:0x000055ce331de618> Herbs and Spices Unknown generic Turmeric Type 1 specific Curcuma longa 136217