1.0 2010-04-08 22:11:57 UTC 2019-11-26 03:11:55 UTC FDB015608 alpha-Bergamotene Constituent of oils of carrot (Daucus carota), bergamot (Citrus bergamia), also lime (Citrus aurantifolia), citron (Citrus medica) and cottonseed oil (Gossypium hirsutum). alpha-Bergamotene is found in many foods, some of which are fats and oils, sweet basil, sweet orange, and lemon. Bergamotene C15H24 204.3511 204.187800768 (1R,5R)-2,6-dimethyl-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]hept-2-ene (1R,5R)-2,6-dimethyl-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]hept-2-ene 13474-59-4 CC(C)=CCCC1(C)[C@H]2C[C@@H]1C(C)=CC2 InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14-,15?/m1/s1 YMBFCQPIMVLNIU-GRKKQISMSA-N belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Bicyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homopolycyclic compounds Branched unsaturated hydrocarbons Cyclic olefins Polycyclic hydrocarbons Unsaturated aliphatic hydrocarbons Aliphatic homopolycyclic compound Bicyclic monoterpenoid Branched unsaturated hydrocarbon Cyclic olefin Hydrocarbon Olefin Pinane monoterpenoid Polycyclic hydrocarbon Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon logp 5.91 ALOGPS logs -4.48 ALOGPS solubility 6.82e-03 g/l ALOGPS logp 4.46 ChemAxon iupac (1R,5R)-2,6-dimethyl-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]hept-2-ene ChemAxon average_mass 204.3511 ChemAxon mono_mass 204.187800768 ChemAxon smiles CC(C)=CCCC1(C)[C@H]2C[C@@H]1C(C)=CC2 ChemAxon formula C15H24 ChemAxon inchi InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14-,15?/m1/s1 ChemAxon inchikey YMBFCQPIMVLNIU-GRKKQISMSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 68.52 ChemAxon polarizability 26.58 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13324 Specdb::CMs 146241 Specdb::MsMs 106842 Specdb::MsMs 106843 Specdb::MsMs 106844 Specdb::MsMs 173679 Specdb::MsMs 173680 Specdb::MsMs 173681 Specdb::MsMs 2764188 Specdb::MsMs 2764189 Specdb::MsMs 2764190 Specdb::MsMs 2941223 Specdb::MsMs 2941224 Specdb::MsMs 2941225 HMDB36678 #<Reference:0x000055ce325807b8> Carrot Type 1 specific Daucus carota ssp. sativus 79200 122.5 200.0 45.0 mg/100 g Citrus Unknown generic Fats and oils Unknown generic Lemon Type 1 specific Citrus limon 2708 25.0 25.0 25.0 mg/100 g Lime Type 1 specific Citrus aurantiifolia 159033 15.0 15.0 15.0 mg/100 g Nutmeg Type 1 specific Myristica fragrans 51089 Root vegetables Unknown generic Sweet basil Type 1 specific Ocimum basilicum 39350 7.5 7.5 7.5 mg/100 g Sweet orange Type 1 specific Citrus sinensis 2711 0.6 0.6 0.6 mg/100 g Wild carrot Type 1 specific Daucus carota 4039 122.5 200.0 45.0 mg/100 g tea warm wood woody