1.0 2010-04-08 22:06:53 UTC 2025-11-18 23:00:17 UTC FDB005871 Artemorin Artemorin is a member of the class of compounds known as terpene lactones. Terpene lactones are prenol lipids containing a lactone ring. Artemorin is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Artemorin is a bitter tasting compound found in sweet bay, which makes artemorin a potential biomarker for the consumption of this food product. Artemorin C15H20O3 248.3175 248.141244506 (3aS,7R,11aR)-7-hydroxy-10-methyl-3,6-dimethylidene-2H,3H,3aH,4H,5H,6H,7H,8H,9H,11aH-cyclodeca[b]furan-2-one artemorin 64845-92-7 C\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2CCC(=C)[C@H](O)CC1 InChI=1S/C15H20O3/c1-9-4-7-13(16)10(2)5-6-12-11(3)15(17)18-14(12)8-9/h8,12-14,16H,2-7H2,1H3/b9-8+/t12-,13+,14+/m0/s1 JNHKVMWTQCZYHK-CVZWCJCVSA-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 heteropolycyclic compounds Carbonyl compounds Enoate esters Gamma butyrolactones Germacrane sesquiterpenoids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Secondary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enoate ester Gamma butyrolactone Germacrane sesquiterpenoid Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol Sesquiterpenoid Terpene lactone Tetrahydrofuran Germacrenes Sesquiterpenoids (C15) germacranolide logp 2.09 ALOGPS logs -2.61 ALOGPS solubility 6.12e-01 g/l ALOGPS logp 2.64 ChemAxon pka_strongest_acidic 18.36 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac (3aS,7R,11aR)-7-hydroxy-10-methyl-3,6-dimethylidene-2H,3H,3aH,4H,5H,6H,7H,8H,9H,11aH-cyclodeca[b]furan-2-one ChemAxon average_mass 248.3175 ChemAxon mono_mass 248.141244506 ChemAxon smiles C\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2CCC(=C)[C@H](O)CC1 ChemAxon formula C15H20O3 ChemAxon inchi InChI=1S/C15H20O3/c1-9-4-7-13(16)10(2)5-6-12-11(3)15(17)18-14(12)8-9/h8,12-14,16H,2-7H2,1H3/b9-8+/t12-,13+,14+/m0/s1 ChemAxon inchikey JNHKVMWTQCZYHK-CVZWCJCVSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 70.39 ChemAxon polarizability 27.01 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 54150 Specdb::MsMs 54151 Specdb::MsMs 54152 Specdb::MsMs 150885 Specdb::MsMs 150886 Specdb::MsMs 150887 Specdb::MsMs 3602210 Specdb::MsMs 3602211 Specdb::MsMs 3602212 Specdb::MsMs 3602213 Specdb::MsMs 3602214 Specdb::MsMs 3602215 Sweet bay Type 1 specific Laurus nobilis 85223 500.0 500.0 500.0 mg/100 g bitter 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.