1.0 2010-04-08 22:11:21 UTC 2025-11-19 00:48:06 UTC FDB014594 Dihydronepetalactone Constituent of Nepeta cataria (catnip). Dihydronepetalactone is found in tea and herbs and spices. C10H16O2 168.2328 168.115029756 4,7-dimethyl-octahydrocyclopenta[c]pyran-1-one 4,7-dimethyl-hexahydro-3H-cyclopenta[c]pyran-1-one 17672-81-0 CC1CCC2C1C(=O)OCC2C InChI=1S/C10H16O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h6-9H,3-5H2,1-2H3 LSRNBGXEEKNZHN-UHFFFAOYSA-N belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. Terpene lactones Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aliphatic heteropolycyclic compounds Bicyclic monoterpenoids Carbonyl compounds Carboxylic acid esters Delta valerolactones Hydrocarbon derivatives Iridoids and derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Aliphatic heteropolycyclic compound Bicyclic monoterpenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Delta valerolactone Delta_valerolactone Hydrocarbon derivative Iridoid-skeleton Lactone Monocarboxylic acid or derivatives Monoterpenoid Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Terpene lactone logp 2.02 ALOGPS logs -2.25 ALOGPS solubility 9.48e-01 g/l ALOGPS logp 2.06 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 4,7-dimethyl-octahydrocyclopenta[c]pyran-1-one ChemAxon average_mass 168.2328 ChemAxon mono_mass 168.115029756 ChemAxon smiles CC1CCC2C1C(=O)OCC2C ChemAxon formula C10H16O2 ChemAxon inchi InChI=1S/C10H16O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h6-9H,3-5H2,1-2H3 ChemAxon inchikey LSRNBGXEEKNZHN-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 45.85 ChemAxon polarizability 18.8 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 103170 Specdb::MsMs 103171 Specdb::MsMs 103172 Specdb::MsMs 169137 Specdb::MsMs 169138 Specdb::MsMs 169139 Specdb::MsMs 2800744 Specdb::MsMs 2800745 Specdb::MsMs 2800746 Specdb::MsMs 2878676 Specdb::MsMs 2878677 Specdb::MsMs 2878678 Specdb::CMs 12905 Specdb::CMs 130986 Specdb::CMs 138720 HMDB0035829 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442