1.0 2010-04-08 22:11:17 UTC 2019-11-26 03:10:08 UTC FDB014474 (-)-Isopinocamphone Constituent of Mentha aquatica (water mint). (-)-Isopinocamphone is found in tea, hyssop, and spearmint. (-)-Isopinocamphone cis-3-Pinanone Isopinocamphone C10H16O 152.2334 152.120115134 (1S,2S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one (1S,2S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one 14575-93-0 C[C@H]1[C@@H]2C[C@H](CC1=O)C2(C)C InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m0/s1 MQPHVIPKLRXGDJ-RNJXMRFFSA-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 Cyclic ketones Hydrocarbon derivatives Organic oxides Aliphatic homopolycyclic compound Bicyclic monoterpenoid Carbonyl group Cyclic ketone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Pinane monoterpenoid logp 2.25 ALOGPS logs -2.50 ALOGPS solubility 4.77e-01 g/l ALOGPS logp 2.28 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac (1S,2S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one ChemAxon average_mass 152.2334 ChemAxon mono_mass 152.120115134 ChemAxon smiles C[C@H]1[C@@H]2C[C@H](CC1=O)C2(C)C ChemAxon formula C10H16O ChemAxon inchi InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m0/s1 ChemAxon inchikey MQPHVIPKLRXGDJ-RNJXMRFFSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 44.54 ChemAxon polarizability 17.9 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6980 Specdb::MsIr 6981 Specdb::CMs 22866 Specdb::CMs 135692 Specdb::CMs 143426 Specdb::MsMs 62193 Specdb::MsMs 62194 Specdb::MsMs 62195 Specdb::MsMs 118866 Specdb::MsMs 118867 Specdb::MsMs 118868 Specdb::MsMs 2297273 Specdb::MsMs 2297274 Specdb::MsMs 2297275 Specdb::MsMs 2637709 Specdb::MsMs 2637710 Specdb::MsMs 2637711 HMDB35744 #<Reference:0x000055ac3f6d8418> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Hyssop Type 1 specific Hyssopus officinalis 39324 247.325 326.15 168.5 mg/100 g Red tea Type 1 Spearmint Type 1 specific Mentha spicata 29719 Tea Type 1 specific Camellia sinensis 4442 camphoreous cedar convulsant 832 epileptigenic 911 neurotoxic 1160 A poison that interferes with the functions of the nervous system. pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.