1.0 2010-04-08 22:06:38 UTC 2025-11-18 22:58:56 UTC FDB005331 Bisabola-3,10-dien-2-one Bisabola-3,10-dien-2-one is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Bisabola-3,10-dien-2-one can be found in turmeric, which makes bisabola-3,10-dien-2-one a potential biomarker for the consumption of this food product. C15H24O 220.3505 220.18271539 3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one 3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one C[C@@H](CCC=C(C)C)C1CCC(C)=CC1=O InChI=1S/C15H24O/c1-11(2)6-5-7-13(4)14-9-8-12(3)10-15(14)16/h6,10,13-14H,5,7-9H2,1-4H3/t13-,14?/m0/s1 KNOUERLLBMJGLF-LSLKUGRBSA-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 Cyclohexenones Hydrocarbon derivatives Organic oxides Aliphatic homomonocyclic compound Bisabolane sesquiterpenoid Carbonyl group Cyclic ketone Cyclohexenone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Sesquiterpenoid logp 4.95 ALOGPS logs -3.64 ALOGPS solubility 5.00e-02 g/l ALOGPS logp 4.66 ChemAxon pka_strongest_acidic 18.87 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one ChemAxon average_mass 220.3505 ChemAxon mono_mass 220.18271539 ChemAxon smiles C[C@@H](CCC=C(C)C)C1CCC(C)=CC1=O ChemAxon formula C15H24O ChemAxon inchi InChI=1S/C15H24O/c1-11(2)6-5-7-13(4)14-9-8-12(3)10-15(14)16/h6,10,13-14H,5,7-9H2,1-4H3/t13-,14?/m0/s1 ChemAxon inchikey KNOUERLLBMJGLF-LSLKUGRBSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 71.15 ChemAxon polarizability 27.73 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 58929 Specdb::MsMs 58930 Specdb::MsMs 58931 Specdb::MsMs 114960 Specdb::MsMs 114961 Specdb::MsMs 114962 Specdb::MsMs 3601682 Specdb::MsMs 3601683 Specdb::MsMs 3601684 Specdb::MsMs 3601685 Specdb::MsMs 3601686 Specdb::MsMs 3601687 Turmeric Type 1 specific Curcuma longa 136217