{"ymdb_id":"YMDB01643","created_at":"2011-08-31T03:31:31.000Z","updated_at":"2016-09-08T18:36:56.000Z","name":"beta-Ionone","cas":"79-77-6","state":"Solid","melting_point":"-49 °C","description":"beta-Ionone is a secondary metabolite generated by beta-carotene. beta-Ionone is found in a variety of plants, fruits and flowers also rich in carotenoids. beta-Ionone is an important fragrance chemical used in perfumery for its typical violet odour. [PMID: 10427760]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"32325","hmdb_id":null,"kegg_id":"C12287","pubchem_id":"26955","cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one","traditional_iupac":"β-ionone","logp":"3.2756236703333337","pka":null,"alogps_solubility":"1.04e-01 g/l","alogps_logp":"4.11","alogps_logs":"-3.27","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"2","polar_surface_area":"17.07","refractivity":"61.8221","polarizability":"23.3550328930062","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.6863708112434415","pka_strongest_acidic":"19.705359453281254","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"1","veber_rule":"1","mddr_like_rule":"0","synonyms":["(3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one","(E)-beta-Ionone","[E]-4-[2,6,6-trimethyl-1-cyclohexen-1-yl]-3-buten-2-one","4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one","4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one","beta-(E)-Ionone","beta-E-Ionone","beta-Ionon","beta-Ionone","trans-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":[]}