1.0 2010-04-08 22:06:05 UTC 2025-11-18 22:55:10 UTC FDB004098 Dehydrocostus lactone Dehydrocostus 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. C15H18O2 230.3022 230.13067982 3,6,9-trimethylidene-dodecahydroazuleno[4,5-b]furan-2-one 3,6,9-trimethylidene-octahydroazuleno[4,5-b]furan-2-one C=C1CCC2C1C1OC(=O)C(=C)C1CCC2=C InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2 NETSQGRTUNRXEO-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 derivatives Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aliphatic heteropolycyclic compounds Carbonyl compounds Enoate esters Gamma butyrolactones Guaianes Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Tetrahydrofurans Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enoate ester Gamma butyrolactone Guaiane sesquiterpenoid Guaianolide-skeleton Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Sesquiterpenoid Tetrahydrofuran logp 2.84 ALOGPS logs -3.07 ALOGPS solubility 1.98e-01 g/l ALOGPS logp 3.08 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac 3,6,9-trimethylidene-dodecahydroazuleno[4,5-b]furan-2-one ChemAxon average_mass 230.3022 ChemAxon mono_mass 230.13067982 ChemAxon smiles C=C1CCC2C1C1OC(=O)C(=C)C1CCC2=C ChemAxon formula C15H18O2 ChemAxon inchi InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2 ChemAxon inchikey NETSQGRTUNRXEO-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 65.97 ChemAxon polarizability 25.8 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 103999 Specdb::CMs 115944 Specdb::MsMs 99873 Specdb::MsMs 99874 Specdb::MsMs 99875 Specdb::MsMs 165081 Specdb::MsMs 165082 Specdb::MsMs 165083 Specdb::MsMs 3427533 Specdb::MsMs 3427534 Specdb::MsMs 3427535 Specdb::MsMs 3427536 Specdb::MsMs 3427537 Specdb::MsMs 3427538 Burdock Type 1 specific Arctium lappa 4217 Sweet bay Type 1 specific Laurus nobilis 85223 Anti bacterial 145 A substance that kills or slows the growth of bacteria. Anti-mutagenic 451 Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. Phytohormonal 1224 A 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.