{"ymdb_id":"YMDB01741","created_at":"2011-08-31T03:41:07.000Z","updated_at":"2016-09-08T18:37:04.000Z","name":"Menthone","cas":"89-80-5","state":"Liquid","melting_point":"−6 °C","description":"Menthone is a minor constituent of the essential oils of pennyroyal, peppermint, Pelargonium geraniums, and others. It is responsible for peppermint aromas.","experimental_water_solubility":"0.688 mg/mL at 25 oC [SUZUKI,T (1991)]","experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"36503","hmdb_id":null,"kegg_id":"C00843","pubchem_id":"26447","cs_id":"24210726","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(2S,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-one","traditional_iupac":"(-)-menthone","logp":"3.0497874006666668","pka":null,"alogps_solubility":"2.65e-01 g/l","alogps_logp":"2.65","alogps_logs":"-2.77","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"17.07","refractivity":"46.5201","polarizability":"19.024394221277838","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.420780675838815","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["(-)-Menthone","(2R,5S)-rel-5-methyl-2-(1-methylethyl)cyclohexanone","l-Menthone","menthone","p-Menthan-3-one","rel-(1R,4S)-p-menthan-3-one","rel-(2R,5S)-2-isopropyl-5-methylcyclohexanone","trans-5-methyl-2-(1-methylethyl)cyclohexanone","trans-menthan-3-one","trans-menthone","trans-p-menthan-3-one"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}