1.02010-04-08 22:06:05 UTC2019-11-26 02:59:48 UTCFDB004098Dehydrocostus lactoneDehydrocostus lactone, also known as dehydro-alpha-curcumene, belongs to guaianolides and derivatives class of compounds. Those are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative. Dehydrocostus lactone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Dehydrocostus lactone can be found in burdock and sweet bay, which makes dehydrocostus lactone a potential biomarker for the consumption of these food products.C15H18O2230.3022230.130679823,6,9-trimethylidene-dodecahydroazuleno[4,5-b]furan-2-one3,6,9-trimethylidene-octahydroazuleno[4,5-b]furan-2-oneC=C1CCC2C1C1OC(=O)C(=C)C1CCC2=CInChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2NETSQGRTUNRXEO-UHFFFAOYSA-N belongs to the class of organic compounds known as guaianolides and derivatives. These are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative.Guaianolides and derivativesOrganic compoundsLipids and lipid-like moleculesPrenol lipidsTerpene lactonesAliphatic heteropolycyclic compoundsCarbonyl compoundsEnoate estersGamma butyrolactonesGuaianesHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesOxacyclic compoundsTetrahydrofuransAliphatic heteropolycyclic compoundAlpha,beta-unsaturated carboxylic esterCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterEnoate esterGamma butyrolactoneGuaiane sesquiterpenoidGuaianolide-skeletonHydrocarbon derivativeLactoneMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleSesquiterpenoidTetrahydrofuranlogp2.84logs-3.07solubility1.98e-01 g/llogp3.08pka_strongest_basic-6.9iupac3,6,9-trimethylidene-dodecahydroazuleno[4,5-b]furan-2-oneaverage_mass230.3022mono_mass230.13067982smilesC=C1CCC2C1C1OC(=O)C(=C)C1CCC2=CformulaC15H18O2inchiInChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2inchikeyNETSQGRTUNRXEO-UHFFFAOYSA-Npolar_surface_area26.3refractivity65.97polarizability25.8rotatable_bond_count0acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs103999Specdb::CMs115944Specdb::MsMs99873Specdb::MsMs99874Specdb::MsMs99875Specdb::MsMs165081Specdb::MsMs165082Specdb::MsMs165083Specdb::MsMs3427533Specdb::MsMs3427534Specdb::MsMs3427535Specdb::MsMs3427536Specdb::MsMs3427537Specdb::MsMs3427538BurdockType 1specificArctium lappa4217Sweet bayType 1specificLaurus nobilis85223anti bacterial145A substance that kills or slows the growth of bacteria.anti mutagenic451pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.phytohormonal1224A plant growth regulator that modulates the formation of stems, leaves and flowers, as well as the development and ripening of fruit. The term includes endogenous and non-endogenous compounds (e.g. active compounds produced by bacteria on the leaf surface) as well as semi-synthetic and fully synthetic compounds.