{"ymdb_id":"YMDB01609","created_at":"2011-08-31T03:27:30.000Z","updated_at":"2016-09-08T18:36:53.000Z","name":"3-Oxo-beta-ionone","cas":"27185-77-9","state":null,"melting_point":null,"description":"3-Oxo-beta-ionone is a derivative of beta-Ionone. Ionones are aroma compounds commonly found plants which contribute to their aroma. Ionones are commonly known as rose ketones due to their role in the aroma of roses.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"5363876","cs_id":"21173162","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2,4,4-trimethyl-3-(3-oxobut-1-en-1-yl)cyclohex-2-en-1-one","traditional_iupac":"2,4,4-trimethyl-3-(3-oxobut-1-en-1-yl)cyclohex-2-en-1-one","logp":"2.608340309","pka":null,"alogps_solubility":"2.63e-01 g/l","alogps_logp":"2.88","alogps_logs":"-2.90","acceptor_count":"2","donor_count":"0","rotatable_bond_count":"2","polar_surface_area":"34.14","refractivity":"62.5153","polarizability":"23.46258460833264","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.66465750739373","pka_strongest_acidic":"19.49102797973248","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"1","veber_rule":"1","mddr_like_rule":"0","synonyms":["2,4,4-trimethyl-3-(3-oxo-1-butenyl)cyclohex-2-en-1-one","2,4,4-Trimethyl-3-[(1E)-3-oxo-1-butenyl]-2-cyclohexen-1-one","3-Keto-beta-ionone","4-Oxo-beta-ionone"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":17616208,"citation":"Loscos, N., Hernandez-Orte, P., Cacho, J., Ferreira, V. (2007). \"Release and formation of varietal aroma compounds during alcoholic fermentation from nonfloral grape odorless flavor precursors fractions.\" J Agric Food Chem 55:6674-6684."}],"proteins":[]}