1.0 2010-04-08 22:09:27 UTC 2018-05-28 22:26:07 UTC FDB011078 (4S)-Dihydrocurcumenone Constituent of zedoary (Curcuma zedoaria). 4S-Dihydrocurcumenone C15H24O2 236.3499 236.177630012 7-(3-hydroxybutyl)-1-methyl-4-(propan-2-ylidene)bicyclo[4.1.0]heptan-3-one 7-(3-hydroxybutyl)-1-methyl-4-(propan-2-ylidene)bicyclo[4.1.0]heptan-3-one CC(O)CCC1C2CC(=C(C)C)C(=O)CC12C InChI=1S/C15H24O2/c1-9(2)11-7-13-12(6-5-10(3)16)15(13,4)8-14(11)17/h10,12-13,16H,5-8H2,1-4H3 OQZCUYXRSFWCJU-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 homopolycyclic compounds Cyclic ketones Hydrocarbon derivatives Organic oxides Secondary alcohols Alcohol Aliphatic homopolycyclic compound Carabrane sesquiterpenoid Carbonyl group Cyclic ketone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Sesquiterpenoid logp 2.24 ALOGPS logs -3.16 ALOGPS solubility 1.64e-01 g/l ALOGPS logp 2.69 ChemAxon pka_strongest_acidic 17.61 ChemAxon pka_strongest_basic -1.7 ChemAxon iupac 7-(3-hydroxybutyl)-1-methyl-4-(propan-2-ylidene)bicyclo[4.1.0]heptan-3-one ChemAxon average_mass 236.3499 ChemAxon mono_mass 236.177630012 ChemAxon smiles CC(O)CCC1C2CC(=C(C)C)C(=O)CC12C ChemAxon formula C15H24O2 ChemAxon inchi InChI=1S/C15H24O2/c1-9(2)11-7-13-12(6-5-10(3)16)15(13,4)8-14(11)17/h10,12-13,16H,5-8H2,1-4H3 ChemAxon inchikey OQZCUYXRSFWCJU-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 69.85 ChemAxon polarizability 28.32 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 88485 Specdb::MsMs 88486 Specdb::MsMs 88487 Specdb::MsMs 151224 Specdb::MsMs 151225 Specdb::MsMs 151226 Specdb::MsMs 3052571 Specdb::MsMs 3052572 Specdb::MsMs 3052573 Specdb::MsMs 3114023 Specdb::MsMs 3114024 Specdb::MsMs 3114025 Specdb::CMs 12930 Specdb::CMs 43084 Specdb::CMs 154888 HMDB33083 #<Reference:0x000055ce31f101f8>