1.0 2010-04-08 22:13:24 UTC 2019-11-26 03:15:27 UTC FDB017934 Glandulone B Constituent of Helianthus annuus (sunflower). Glandulone B is found in fats and oils. Glandulone B C15H16O3 244.2857 244.109944378 (2E,5E)-2-methyl-6-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)hepta-2,5-dienal (2E,5E)-2-methyl-6-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)hepta-2,5-dienal C\C(C=O)=C/C\C=C(/C)C1=CC(=O)C(C)=CC1=O InChI=1S/C15H16O3/c1-10(9-16)5-4-6-11(2)13-8-14(17)12(3)7-15(13)18/h5-9H,4H2,1-3H3/b10-5+,11-6+ TUGXTSKUBLGSJF-YOYBCKCWSA-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 Enals Hydrocarbon derivatives Organic oxides P-benzoquinones 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 P-benzoquinone Quinone Sesquiterpenoid logp 2.86 ALOGPS logs -3.90 ALOGPS solubility 3.05e-02 g/l ALOGPS logp 2.83 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac (2E,5E)-2-methyl-6-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)hepta-2,5-dienal ChemAxon average_mass 244.2857 ChemAxon mono_mass 244.109944378 ChemAxon smiles C\C(C=O)=C/C\C=C(/C)C1=CC(=O)C(C)=CC1=O ChemAxon formula C15H16O3 ChemAxon inchi InChI=1S/C15H16O3/c1-10(9-16)5-4-6-11(2)13-8-14(17)12(3)7-15(13)18/h5-9H,4H2,1-3H3/b10-5+,11-6+ ChemAxon inchikey TUGXTSKUBLGSJF-YOYBCKCWSA-N ChemAxon polar_surface_area 51.21 ChemAxon refractivity 74.34 ChemAxon polarizability 26.14 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10004 Specdb::CMs 155363 Specdb::MsMs 57237 Specdb::MsMs 57238 Specdb::MsMs 57239 Specdb::MsMs 112854 Specdb::MsMs 112855 Specdb::MsMs 112856 Specdb::MsMs 2359802 Specdb::MsMs 2359803 Specdb::MsMs 2359804 Specdb::MsMs 2606164 Specdb::MsMs 2606165 Specdb::MsMs 2606166 HMDB38548 #<Reference:0x000055ce325a4a00> Fats and oils Unknown generic