1.0 2010-04-08 22:06:05 UTC 2025-11-18 22:55:11 UTC FDB004099 Dehydrodihydrocostus lactone Dehydrodihydrocostus lactone 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. Dehydrodihydrocostus lactone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Dehydrodihydrocostus lactone can be found in burdock, which makes dehydrodihydrocostus lactone a potential biomarker for the consumption of this food product. C15H20O2 232.3181 232.146329884 3-methyl-6,9-dimethylidene-dodecahydroazuleno[4,5-b]furan-2-one 3-methyl-6,9-dimethylidene-octahydro-3H-azuleno[4,5-b]furan-2-one CC1C2CCC(=C)C3CCC(=C)C3C2OC1=O InChI=1S/C15H20O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h10-14H,1-2,4-7H2,3H3 UJADCNYXDHHISU-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 Carboxylic acid esters Gamma butyrolactones Guaianes Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Tetrahydrofurans Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid 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 2.94 ALOGPS logs -3.08 ALOGPS solubility 1.94e-01 g/l ALOGPS logp 2.93 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 3-methyl-6,9-dimethylidene-dodecahydroazuleno[4,5-b]furan-2-one ChemAxon average_mass 232.3181 ChemAxon mono_mass 232.146329884 ChemAxon smiles CC1C2CCC(=C)C3CCC(=C)C3C2OC1=O ChemAxon formula C15H20O2 ChemAxon inchi InChI=1S/C15H20O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h10-14H,1-2,4-7H2,3H3 ChemAxon inchikey UJADCNYXDHHISU-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 66.17 ChemAxon polarizability 26.36 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 57519 Specdb::MsMs 57520 Specdb::MsMs 57521 Specdb::MsMs 113214 Specdb::MsMs 113215 Specdb::MsMs 113216 Specdb::MsMs 3599948 Specdb::MsMs 3599949 Specdb::MsMs 3599950 Specdb::MsMs 3599951 Specdb::MsMs 3599952 Specdb::MsMs 3599953 Burdock Type 1 specific Arctium lappa 4217