1.0 2010-04-08 22:11:34 UTC 2019-11-26 03:11:03 UTC FDB014975 (-)-Pinocamphone Constituent of the oils of Hyssopus officinalis (hyssop). (-)-Pinocamphone is found in many foods, some of which are herbs and spices, hyssop, spearmint, and roman camomile. (-)-Pinocamphone Pinocamphone trans-3-Pinanone C10H16O 152.2334 152.120115134 (1S,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one (1S,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one 22339-21-5 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+/m1/s1 MQPHVIPKLRXGDJ-PRJMDXOYSA-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,2R,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+/m1/s1 ChemAxon inchikey MQPHVIPKLRXGDJ-PRJMDXOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 44.54 ChemAxon polarizability 17.95 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7108 Specdb::MsIr 7109 Specdb::CMs 26333 Specdb::CMs 160687 Specdb::MsMs 55887 Specdb::MsMs 55888 Specdb::MsMs 55889 Specdb::MsMs 111159 Specdb::MsMs 111160 Specdb::MsMs 111161 Specdb::MsMs 2820021 Specdb::MsMs 2820022 Specdb::MsMs 2820023 Specdb::MsMs 2889646 Specdb::MsMs 2889647 Specdb::MsMs 2889648 HMDB36127 #<Reference:0x000055ce316c97b0> Herbs and Spices Unknown generic Hyssop Type 1 specific Hyssopus officinalis 39324 322.233333 603.2 113.0 mg/100 g Roman camomile Type 1 specific Chamaemelum nobile 99037 Spearmint Type 1 specific Mentha spicata 29719 spicy 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.