1.0 2010-04-08 22:14:24 UTC 2019-11-26 03:17:34 UTC FDB019517 Glandulone C Constituent of Helianthus annuus (sunflower). Glandulone C is found in fats and oils. Glandulone C C15H20O3 248.3175 248.141244506 (2E)-6-(6-hydroxy-4-methyl-3-oxocyclohexa-1,4-dien-1-yl)-2-methylhept-2-enal (2E)-6-(6-hydroxy-4-methyl-3-oxocyclohexa-1,4-dien-1-yl)-2-methylhept-2-enal CC(CC\C=C(/C)C=O)C1=CC(=O)C(C)=CC1O InChI=1S/C15H20O3/c1-10(9-16)5-4-6-11(2)13-8-14(17)12(3)7-15(13)18/h5,7-9,11,15,18H,4,6H2,1-3H3/b10-5+ UZLYFZDXWGWUGA-BJMVGYQFSA-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 Aldehydes Cyclic ketones Enals Hydrocarbon derivatives Organic oxides Secondary alcohols Alcohol Aldehyde Aliphatic homomonocyclic compound Alpha,beta-unsaturated aldehyde Bisabolane sesquiterpenoid Carbonyl group Cyclic ketone Enal Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Sesquiterpenoid logp 2.64 ALOGPS logs -3.19 ALOGPS solubility 1.61e-01 g/l ALOGPS logp 2.47 ChemAxon pka_strongest_acidic 9.92 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac (2E)-6-(6-hydroxy-4-methyl-3-oxocyclohexa-1,4-dien-1-yl)-2-methylhept-2-enal ChemAxon average_mass 248.3175 ChemAxon mono_mass 248.141244506 ChemAxon smiles CC(CC\C=C(/C)C=O)C1=CC(=O)C(C)=CC1O ChemAxon formula C15H20O3 ChemAxon inchi InChI=1S/C15H20O3/c1-10(9-16)5-4-6-11(2)13-8-14(17)12(3)7-15(13)18/h5,7-9,11,15,18H,4,6H2,1-3H3/b10-5+ ChemAxon inchikey UZLYFZDXWGWUGA-BJMVGYQFSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 74.18 ChemAxon polarizability 27.58 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23146 Specdb::CMs 46603 Specdb::CMs 163958 Specdb::MsMs 106209 Specdb::MsMs 106210 Specdb::MsMs 106211 Specdb::MsMs 172878 Specdb::MsMs 172879 Specdb::MsMs 172880 Specdb::MsMs 2703830 Specdb::MsMs 2703831 Specdb::MsMs 2703832 Specdb::MsMs 3001564 Specdb::MsMs 3001565 Specdb::MsMs 3001566 HMDB39859 #<Reference:0x000055ce3247f058> Fats and oils Unknown generic