1.0 2010-04-08 22:11:56 UTC 2018-05-29 01:20:15 UTC FDB015596 Humulene-8-hydroperoxide Constituent of Curcuma zedoaria (zedoxy) 8-Hydroperoxy-2,6,9-humulatriene Humulene-8-hydroperoxide C15H24O2 236.3499 236.177630012 (2Z,6Z,10E)-2,6,9,9-tetramethylcycloundeca-2,6,10-triene-1-peroxol (2Z,6Z,10E)-2,6,9,9-tetramethylcycloundeca-2,6,10-triene-1-peroxol 228565-88-6 C\C1=C\CC(C)(C)\C=C\C(OO)\C(C)=C/CC1 InChI=1S/C15H24O2/c1-12-6-5-7-13(2)14(17-16)9-11-15(3,4)10-8-12/h7-9,11,14,16H,5-6,10H2,1-4H3/b11-9+,12-8-,13-7- MMMUNNUIKCPGAL-RTTFEGKLSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homomonocyclic compounds Alkyl hydroperoxides Allylic hydroperoxides Hydrocarbon derivatives Peroxols Aliphatic homomonocyclic compound Alkyl hydroperoxide Allylic hydroperoxide Humulane sesquiterpenoid Hydrocarbon derivative Hydroperoxide Organic oxygen compound Organooxygen compound Peroxol Sesquiterpenoid logp 5.17 ALOGPS logs -3.47 ALOGPS solubility 8.07e-02 g/l ALOGPS logp 4.25 ChemAxon pka_strongest_acidic 11.69 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (2Z,6Z,10E)-2,6,9,9-tetramethylcycloundeca-2,6,10-triene-1-peroxol ChemAxon average_mass 236.3499 ChemAxon mono_mass 236.177630012 ChemAxon smiles C\C1=C\CC(C)(C)\C=C\C(OO)\C(C)=C/CC1 ChemAxon formula C15H24O2 ChemAxon inchi InChI=1S/C15H24O2/c1-12-6-5-7-13(2)14(17-16)9-11-15(3,4)10-8-12/h7-9,11,14,16H,5-6,10H2,1-4H3/b11-9+,12-8-,13-7- ChemAxon inchikey MMMUNNUIKCPGAL-RTTFEGKLSA-N ChemAxon polar_surface_area 29.46 ChemAxon refractivity 74.26 ChemAxon polarizability 27.53 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20853 Specdb::CMs 132053 Specdb::CMs 139787 Specdb::MsMs 96540 Specdb::MsMs 96541 Specdb::MsMs 96542 Specdb::MsMs 161046 Specdb::MsMs 161047 Specdb::MsMs 161048 Specdb::MsMs 2356221 Specdb::MsMs 2356222 Specdb::MsMs 2356223 Specdb::MsMs 2609022 Specdb::MsMs 2609023 Specdb::MsMs 2609024 HMDB36668 #<Reference:0x000055ce31f76a48>