1.0 2010-04-08 22:07:32 UTC 2025-11-18 23:04:30 UTC FDB007283 Taraxacine Taraxacine is a member of the class of compounds known as butenolides. Butenolides are dihydrofurans with a carbonyl group at the C2 carbon atom. Taraxacine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Taraxacine can be found in dandelion, which makes taraxacine a potential biomarker for the consumption of this food product. C15H14O3 242.2699 242.094294314 3,5,8-trimethyl-2H,7H,9H,9aH-azuleno[6,5-b]furan-2,7-dione 3,5,8-trimethyl-9H,9aH-azuleno[6,5-b]furan-2,7-dione CC1=CC(=O)C2=C(C)CC3OC(=O)C(C)=C3C=C12 InChI=1S/C15H14O3/c1-7-4-12(16)14-8(2)5-13-11(6-10(7)14)9(3)15(17)18-13/h4,6,13H,5H2,1-3H3 BAHMQESJBKGPTE-UHFFFAOYSA-N belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom. Butenolides Organic compounds Organoheterocyclic compounds Dihydrofurans Furanones Aliphatic heteropolycyclic compounds Enoate esters Hydrocarbon derivatives Ketones Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds 2-furanone Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enoate ester Hydrocarbon derivative Ketone Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle logp 2.34 ALOGPS logs -2.94 ALOGPS solubility 2.78e-01 g/l ALOGPS logp 2.1 ChemAxon pka_strongest_acidic 14.89 ChemAxon pka_strongest_basic -5.2 ChemAxon iupac 3,5,8-trimethyl-2H,7H,9H,9aH-azuleno[6,5-b]furan-2,7-dione ChemAxon average_mass 242.2699 ChemAxon mono_mass 242.094294314 ChemAxon smiles CC1=CC(=O)C2=C(C)CC3OC(=O)C(C)=C3C=C12 ChemAxon formula C15H14O3 ChemAxon inchi InChI=1S/C15H14O3/c1-7-4-12(16)14-8(2)5-13-11(6-10(7)14)9(3)15(17)18-13/h4,6,13H,5H2,1-3H3 ChemAxon inchikey BAHMQESJBKGPTE-UHFFFAOYSA-N ChemAxon polar_surface_area 43.37 ChemAxon refractivity 70.18 ChemAxon polarizability 26.02 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 83571 Specdb::MsMs 83572 Specdb::MsMs 83573 Specdb::MsMs 145200 Specdb::MsMs 145201 Specdb::MsMs 145202 Specdb::MsMs 3603869 Specdb::MsMs 3603870 Specdb::MsMs 3603871 Specdb::MsMs 3603872 Specdb::MsMs 3603873 Specdb::MsMs 3603874 Dandelion Type 1 specific Taraxacum officinale 50225