1.0 2010-04-08 22:07:07 UTC 2019-11-26 03:01:06 UTC FDB006368 alpha-Humulene epoxide Alpha-humulene epoxide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Alpha-humulene epoxide can be found in cloves and pot marjoram, which makes alpha-humulene epoxide a potential biomarker for the consumption of these food products. C15H24O 220.356 220.182715393 (1R,4E,7E,11R)-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-diene (1R,4E,7E,11R)-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-diene [H]C1=C([H])C(C)(C)C[C@@]2([H])O[C@]2(C)CC\C([H])=C(C)\C1 InChI=1S/C15H24O/c1-12-7-5-9-14(2,3)11-13-15(4,16-13)10-6-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5-,12-8+/t13-,15-/m1/s1 RKQDKXOBRXTSFS-FNFCFPHGSA-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 5.02 ALOGPS logs -4.45 ALOGPS solubility 7.79e-03 g/l ALOGPS logp 3.98 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (1R,4E,7E,11R)-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-diene ChemAxon average_mass 220.356 ChemAxon mono_mass 220.182715393 ChemAxon smiles [H]C1=C([H])C(C)(C)C[C@@]2([H])O[C@]2(C)CC\C([H])=C(C)\C1 ChemAxon formula C15H24O ChemAxon inchi InChI=1S/C15H24O/c1-12-7-5-9-14(2,3)11-13-15(4,16-13)10-6-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5-,12-8+/t13-,15-/m1/s1 ChemAxon inchikey RKQDKXOBRXTSFS-FNFCFPHGSA-N ChemAxon polar_surface_area 12.53 ChemAxon refractivity 70.31 ChemAxon polarizability 26.54 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 46800 Specdb::MsMs 46801 Specdb::MsMs 46802 Specdb::MsMs 163956 Specdb::MsMs 163957 Specdb::MsMs 163958 Cloves Type 1 specific Syzygium aromaticum 219868 2600.0 2600.0 2600.0 mg/100 g Pot marjoram Type 1 specific Origanum onites 452416 0.0 0.0 0.0 mg/100 g Antitumor 672 A substance that inhibits or prevents the proliferation of neoplasms.