1.02010-04-08 22:13:24 UTC2019-11-26 03:15:27 UTCFDB017933Glandulone AConstituent of Helianthus annuus (sunflower). Glandulone A is found in fats and oils.1,4-Dioxo-2,5,10-bisabolatrien-12-alGlandulone AC15H18O3246.3016246.125594442(2E)-2-methyl-6-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)hept-2-enal(2E)-2-methyl-6-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)hept-2-enalCC(CC\C=C(/C)C=O)C1=CC(=O)C(C)=CC1=OInChI=1S/C15H18O3/c1-10(9-16)5-4-6-11(2)13-8-14(17)12(3)7-15(13)18/h5,7-9,11H,4,6H2,1-3H3/b10-5+RBVBEULSUHQTPE-BJMVGYQFSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.SesquiterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsSesquiterpenoidsAliphatic homomonocyclic compoundsAldehydesEnalsHydrocarbon derivativesOrganic oxidesP-benzoquinonesAldehydeAliphatic homomonocyclic compoundAlpha,beta-unsaturated aldehydeBisabolane sesquiterpenoidCarbonyl groupCyclic ketoneEnalHydrocarbon derivativeKetoneOrganic oxideOrganic oxygen compoundOrganooxygen compoundP-benzoquinoneQuinoneSesquiterpenoidlogp2.75logs-3.78solubility4.08e-02 g/llogp3.24pka_strongest_basic-4.1iupac(2E)-2-methyl-6-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)hept-2-enalaverage_mass246.3016mono_mass246.125594442smilesCC(CC\C=C(/C)C=O)C1=CC(=O)C(C)=CC1=OformulaC15H18O3inchiInChI=1S/C15H18O3/c1-10(9-16)5-4-6-11(2)13-8-14(17)12(3)7-15(13)18/h5,7-9,11H,4,6H2,1-3H3/b10-5+inchikeyRBVBEULSUHQTPE-BJMVGYQFSA-Npolar_surface_area51.21refractivity73.49polarizability26.98rotatable_bond_count5acceptor_count3donor_count0physiological_charge0formal_charge0Specdb::CMs25151Specdb::CMs136885Specdb::CMs144619Specdb::MsMs47460Specdb::MsMs47461Specdb::MsMs47462Specdb::MsMs124941Specdb::MsMs124942Specdb::MsMs124943Specdb::MsMs2448440Specdb::MsMs2448441Specdb::MsMs2448442Specdb::MsMs2486421Specdb::MsMs2486422Specdb::MsMs2486423HMDB38547#<Reference:0x0000555670e20a60>Fats and oilsUnknowngeneric