1.0 2010-04-08 22:13:06 UTC 2019-11-26 03:14:52 UTC FDB017450 Humuladienone Constituent of hops. Humuladienone is found in wild celery and alcoholic beverages. Humuladienone C15H24O 220.3505 220.18271539 (4Z,8Z)-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-one (4Z,8Z)-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-one 24405-90-1 CC1C\C=C/C(C)(C)C\C=C(C)/CCC1=O InChI=1S/C15H24O/c1-12-7-8-14(16)13(2)6-5-10-15(3,4)11-9-12/h5,9-10,13H,6-8,11H2,1-4H3/b10-5-,12-9- XWFINABYEHNSEP-CGBKSYCJSA-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 Cyclic ketones Hydrocarbon derivatives Organic oxides Aliphatic homomonocyclic compound Carbonyl group Cyclic ketone Humulane sesquiterpenoid Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Sesquiterpenoid logp 4.59 ALOGPS logs -4.03 ALOGPS solubility 2.05e-02 g/l ALOGPS logp 4.36 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac (4Z,8Z)-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-one ChemAxon average_mass 220.3505 ChemAxon mono_mass 220.18271539 ChemAxon smiles CC1C\C=C/C(C)(C)C\C=C(C)/CCC1=O ChemAxon formula C15H24O ChemAxon inchi InChI=1S/C15H24O/c1-12-7-8-14(16)13(2)6-5-10-15(3,4)11-9-12/h5,9-10,13H,6-8,11H2,1-4H3/b10-5-,12-9- ChemAxon inchikey XWFINABYEHNSEP-CGBKSYCJSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 71.37 ChemAxon polarizability 26.97 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17166 Specdb::CMs 173374 Specdb::MsMs 87765 Specdb::MsMs 87766 Specdb::MsMs 87767 Specdb::MsMs 150336 Specdb::MsMs 150337 Specdb::MsMs 150338 Specdb::MsMs 2697375 Specdb::MsMs 2697376 Specdb::MsMs 2697377 Specdb::MsMs 2982050 Specdb::MsMs 2982051 Specdb::MsMs 2982052 HMDB38208 #<Reference:0x000055ce315fd6b0> Alcoholic beverages Unknown generic Wild celery Type 1 specific Apium graveolens 4045