1.02010-04-08 22:13:06 UTC2019-11-26 03:14:53 UTCFDB017451Humulene epoxide IConstituent of hops and wild ginger (Zingiber zerumbet). Humulene epoxide I is found in many foods, some of which are rosemary, alcoholic beverages, allspice, and herbs and spices.alpha-Humulene oxideHumulene epoxideHumulene epoxide IHumulene I epoxideHumulene monoxideHumulene oxideHumulene oxide IC15H24O220.3505220.18271539(4Z,7Z)-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-diene(4Z,7Z)-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-diene19888-33-6C\C1=C\CCC2(C)OC2CC(C)(C)\C=C/C1InChI=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-RKQDKXOBRXTSFS-QZFXXANLSA-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).EpoxidesOrganic compoundsOrganoheterocyclic compoundsEpoxidesAliphatic heteropolycyclic compoundsDialkyl ethersHydrocarbon derivativesOxacyclic compoundsAliphatic heteropolycyclic compoundDialkyl etherEtherHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundOxacycleOxiranelogp5.02logs-4.45solubility7.79e-03 g/llogp3.98pka_strongest_basic-4.2iupac(4Z,7Z)-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-dieneaverage_mass220.3505mono_mass220.18271539smilesC\C1=C\CCC2(C)OC2CC(C)(C)\C=C/C1formulaC15H24OinchiInChI=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-inchikeyRKQDKXOBRXTSFS-QZFXXANLSA-Npolar_surface_area12.53refractivity70.31polarizability26.96rotatable_bond_count0acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs24403Specdb::MsMs44559Specdb::MsMs44560Specdb::MsMs44561Specdb::MsMs132786Specdb::MsMs132787Specdb::MsMs132788HMDB38209#<Reference:0x000055567475db70>Alcoholic beveragesUnknowngenericAllspiceType 1specificPimenta dioica375272GingerType 1specificZingiber officinale94328Herbs and SpicesUnknowngenericRosemaryType 1specificRosmarinus officinalis39367herbherbal