1.0 2010-04-08 22:06:54 UTC 2025-11-18 23:00:22 UTC FDB005902 Verlotorin Verlotorin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Verlotorin can be found in sweet bay, which makes verlotorin a potential biomarker for the consumption of this food product. Peroxycostunolide Verlotorin C15H20O4 264.3169 264.136159128 7-hydroperoxy-10-methyl-3,6-dimethylidene-2H,3H,3aH,4H,5H,6H,7H,8H,9H,11aH-cyclodeca[b]furan-2-one 7-hydroperoxy-10-methyl-3,6-dimethylidene-3aH,4H,5H,7H,8H,9H,11aH-cyclodeca[b]furan-2-one 31105-79-0 C\C1=C/C2OC(=O)C(=C)C2CCC(=C)C(CC1)OO InChI=1S/C15H20O4/c1-9-4-7-13(19-17)10(2)5-6-12-11(3)15(16)18-14(12)8-9/h8,12-14,17H,2-7H2,1H3/b9-8+ IXRHWRRLTANMPL-CMDGGOBGSA-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 Alkyl hydroperoxides Carbonyl compounds Enoate esters Gamma butyrolactones Germacrane sesquiterpenoids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Peroxols Tetrahydrofurans Aliphatic heteropolycyclic compound Alkyl hydroperoxide Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enoate ester Gamma butyrolactone Germacrane sesquiterpenoid Hydrocarbon derivative Hydroperoxide Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Peroxol Sesquiterpenoid Terpene lactone Tetrahydrofuran logp 2.76 ALOGPS logs -2.68 ALOGPS solubility 5.53e-01 g/l ALOGPS logp 3.09 ChemAxon pka_strongest_acidic 11.71 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 7-hydroperoxy-10-methyl-3,6-dimethylidene-2H,3H,3aH,4H,5H,6H,7H,8H,9H,11aH-cyclodeca[b]furan-2-one ChemAxon average_mass 264.3169 ChemAxon mono_mass 264.136159128 ChemAxon smiles C\C1=C/C2OC(=O)C(=C)C2CCC(=C)C(CC1)OO ChemAxon formula C15H20O4 ChemAxon inchi InChI=1S/C15H20O4/c1-9-4-7-13(19-17)10(2)5-6-12-11(3)15(16)18-14(12)8-9/h8,12-14,17H,2-7H2,1H3/b9-8+ ChemAxon inchikey IXRHWRRLTANMPL-CMDGGOBGSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 71.74 ChemAxon polarizability 27.78 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 87780 Specdb::MsMs 87781 Specdb::MsMs 87782 Specdb::MsMs 150366 Specdb::MsMs 150367 Specdb::MsMs 150368 Specdb::MsMs 3602261 Specdb::MsMs 3602262 Specdb::MsMs 3602263 Specdb::MsMs 3602264 Specdb::MsMs 3602265 Specdb::MsMs 3602266 Sweet bay Type 1 specific Laurus nobilis 85223 140.0 140.0 140.0 mg/100 g 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. Oxidant 1183 A substance that removes electrons from another reactant in a redox reaction.