1.02010-04-08 22:06:53 UTC2019-11-26 03:00:49 UTCFDB005871ArtemorinArtemorin 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. ArtemorinC15H20O3248.3175248.141244506(3aS,7R,11aR)-7-hydroxy-10-methyl-3,6-dimethylidene-2H,3H,3aH,4H,5H,6H,7H,8H,9H,11aH-cyclodeca[b]furan-2-oneartemorin64845-92-7C\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2CCC(=C)[C@H](O)CC1InChI=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/s1JNHKVMWTQCZYHK-CVZWCJCVSA-N belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.Terpene lactonesOrganic compoundsLipids and lipid-like moleculesPrenol lipidsTerpene lactonesAliphatic heteropolycyclic compoundsCarbonyl compoundsEnoate estersGamma butyrolactonesGermacrane sesquiterpenoidsHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesOxacyclic compoundsSecondary alcoholsTetrahydrofuransAlcoholAliphatic heteropolycyclic compoundAlpha,beta-unsaturated carboxylic esterCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterEnoate esterGamma butyrolactoneGermacrane sesquiterpenoidHydrocarbon derivativeLactoneMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleSecondary alcoholSesquiterpenoidTerpene lactoneTetrahydrofuranGermacrenesSesquiterpenoids (C15)germacranolidelogp2.09logs-2.61solubility6.12e-01 g/llogp2.64pka_strongest_acidic18.36pka_strongest_basic-1.3iupac(3aS,7R,11aR)-7-hydroxy-10-methyl-3,6-dimethylidene-2H,3H,3aH,4H,5H,6H,7H,8H,9H,11aH-cyclodeca[b]furan-2-oneaverage_mass248.3175mono_mass248.141244506smilesC\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2CCC(=C)[C@H](O)CC1formulaC15H20O3inchiInChI=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/s1inchikeyJNHKVMWTQCZYHK-CVZWCJCVSA-Npolar_surface_area46.53refractivity70.39polarizability27.01rotatable_bond_count0acceptor_count2donor_count1physiological_charge0formal_charge0Specdb::MsMs54150Specdb::MsMs54151Specdb::MsMs54152Specdb::MsMs150885Specdb::MsMs150886Specdb::MsMs150887Specdb::MsMs3602210Specdb::MsMs3602211Specdb::MsMs3602212Specdb::MsMs3602213Specdb::MsMs3602214Specdb::MsMs3602215Sweet bayType 1specificLaurus nobilis85223500.0500.0500.0mg/100 gbitterallergenic43A chemical compound which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.