1.0 2010-04-08 22:06:24 UTC 2019-11-26 03:00:14 UTC FDB004803 trans-Caryophyllene oxide Caryophyllene beta-oxide is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Caryophyllene beta-oxide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Within the cell, caryophyllene beta-oxide is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space. Trans-caryophyllene epoxide Trans-caryophyllene oxide C15H24O 220.3505 220.18271539 (4R)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.0^{4,6}]dodecane (4R)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.0^{4,6}]dodecane 1139-30-6 CC12CCC3C(CC3(C)C)C(=C)CCC1O2 InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3 NVEQFIOZRFFVFW-UHFFFAOYSA-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 heteropolycyclic compounds Dialkyl ethers Epoxides Hydrocarbon derivatives Oxacyclic compounds Aliphatic heteropolycyclic compound Caryophyllane sesquiterpenoid Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Sesquiterpenoid logp 3.62 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (4R)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.0^{4,6}]dodecane ChemAxon average_mass 220.3505 ChemAxon mono_mass 220.18271539 ChemAxon smiles CC12CCC3C(CC3(C)C)C(=C)CCC1O2 ChemAxon formula C15H24O ChemAxon inchi InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3 ChemAxon inchikey NVEQFIOZRFFVFW-UHFFFAOYSA-N ChemAxon polar_surface_area 12.53 ChemAxon refractivity 66.21 ChemAxon polarizability 26.46 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Caraway Type 1 specific Carum carvi 48032 herb spice sweet