1.0 2010-04-08 22:06:56 UTC 2025-11-18 23:00:37 UTC FDB005982 Anthecotulide Anthecotulide is a member of the class of compounds known as terpene lactones. Terpene lactones are prenol lipids containing a lactone ring. Anthecotulide is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Anthecotulide can be found in german camomile, which makes anthecotulide a potential biomarker for the consumption of this food product. C15H20O3 248.3175 248.141244506 4-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dien-1-yl]-3-methylideneoxolan-2-one 4-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dien-1-yl]-3-methylideneoxolan-2-one CC(C)=CC(=O)C\C(C)=C\CC1COC(=O)C1=C InChI=1S/C15H20O3/c1-10(2)7-14(16)8-11(3)5-6-13-9-18-15(17)12(13)4/h5,7,13H,4,6,8-9H2,1-3H3/b11-5+ WSKLYRKBPFVGEJ-VZUCSPMQSA-N belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. Terpene lactones Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aliphatic heteromonocyclic compounds Acryloyl compounds Enoate esters Enones Gamma butyrolactones Hydrocarbon derivatives Ketones Monocarboxylic acids and derivatives Monocyclic monoterpenoids Organic oxides Oxacyclic compounds Tetrahydrofurans Acryloyl-group Aliphatic heteromonocyclic compound Alpha,beta-unsaturated carboxylic ester Alpha,beta-unsaturated ketone Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enoate ester Enone Gamma butyrolactone Hydrocarbon derivative Ketone Lactone Monocarboxylic acid or derivatives Monocyclic monoterpenoid Monoterpenoid Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Terpene lactone Tetrahydrofuran logp 3.13 ALOGPS logs -3.41 ALOGPS solubility 9.63e-02 g/l ALOGPS logp 3.25 ChemAxon pka_strongest_acidic 16.94 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac 4-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dien-1-yl]-3-methylideneoxolan-2-one ChemAxon average_mass 248.3175 ChemAxon mono_mass 248.141244506 ChemAxon smiles CC(C)=CC(=O)C\C(C)=C\CC1COC(=O)C1=C ChemAxon formula C15H20O3 ChemAxon inchi InChI=1S/C15H20O3/c1-10(2)7-14(16)8-11(3)5-6-13-9-18-15(17)12(13)4/h5,7,13H,4,6,8-9H2,1-3H3/b11-5+ ChemAxon inchikey WSKLYRKBPFVGEJ-VZUCSPMQSA-N ChemAxon polar_surface_area 43.37 ChemAxon refractivity 72.78 ChemAxon polarizability 27.19 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 67929 Specdb::MsMs 67930 Specdb::MsMs 67931 Specdb::MsMs 125847 Specdb::MsMs 125848 Specdb::MsMs 125849 Specdb::MsMs 3602375 Specdb::MsMs 3602376 Specdb::MsMs 3602377 Specdb::MsMs 3602378 Specdb::MsMs 3602379 Specdb::MsMs 3602380 German camomile Type 1 specific Matricaria recutita 127986 Allergenic 43 A chemical compound which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.