1.0 2010-04-08 22:06:56 UTC 2025-11-18 23:00:41 UTC FDB006004 1,2-Humulene epoxide 1,2-humulene epoxide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1,2-humulene epoxide can be found in lemon balm, which makes 1,2-humulene epoxide a potential biomarker for the consumption of this food product. C15H24O 220.3505 220.18271539 (3E,7E)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene (3E,7E)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene C\C1=C/CC(C)(C)\C=C\CC2(C)OC2CC1 InChI=1S/C15H24O/c1-12-6-7-13-15(4,16-13)10-5-9-14(2,3)11-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5+,12-8+ QTGAEXCCAPTGLB-PIHCAMFYSA-N belongs to the class of organic compounds known as epoxides. Epoxides are compounds containing a cyclic ether with three ring atoms(one oxygen and two carbon atoms). Epoxides Organic compounds Organoheterocyclic compounds Epoxides Aliphatic heteropolycyclic compounds Dialkyl ethers Hydrocarbon derivatives Oxacyclic compounds Aliphatic heteropolycyclic compound Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Oxirane logp 5.03 ALOGPS logs -4.43 ALOGPS solubility 8.11e-03 g/l ALOGPS logp 3.98 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (3E,7E)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene ChemAxon average_mass 220.3505 ChemAxon mono_mass 220.18271539 ChemAxon smiles C\C1=C/CC(C)(C)\C=C\CC2(C)OC2CC1 ChemAxon formula C15H24O ChemAxon inchi InChI=1S/C15H24O/c1-12-6-7-13-15(4,16-13)10-5-9-14(2,3)11-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5+,12-8+ ChemAxon inchikey QTGAEXCCAPTGLB-PIHCAMFYSA-N ChemAxon polar_surface_area 12.53 ChemAxon refractivity 70.31 ChemAxon polarizability 26.82 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 53055 Specdb::MsMs 53056 Specdb::MsMs 53057 Specdb::MsMs 147639 Specdb::MsMs 147640 Specdb::MsMs 147641 Specdb::MsMs 3602396 Specdb::MsMs 3602397 Specdb::MsMs 3602398 Specdb::MsMs 3602399 Specdb::MsMs 3602400 Specdb::MsMs 3602401 Lemon balm Type 1 specific Melissa officinalis 39338 0.01 0.01 0.01 mg/100 g