{"ymdb_id":"YMDB01634","created_at":"2011-08-31T03:30:33.000Z","updated_at":"2016-09-08T18:36:55.000Z","name":"alpha-Isomethyl-ionone","cas":"127-51-5","state":null,"melting_point":null,"description":"alpha-Isomethyl ionone as an odor described as violet sweet orris powdery floral woody. [Luebke, William tgsc, (1985)]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"5372174","cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(3E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one","traditional_iupac":"(3E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one","logp":"3.714831984333335","pka":null,"alogps_solubility":"6.40e-02 g/l","alogps_logp":"4.69","alogps_logs":"-3.51","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"2","polar_surface_area":"17.07","refractivity":"66.4458","polarizability":"24.9627973860611","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.846295705534975","pka_strongest_acidic":"19.70086228673985","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"1","veber_rule":"1","mddr_like_rule":"0","synonyms":[".alpha. Isomethyl ionone","8-Methyl-alpha-ionone","alpha Isomethyl ionone","alpha-Cetone","alpha-Ionone, isomethyl-","Cetone alpha","iso-alpha-methyl ionone","Isomethyl-alpha-ionone","Methyl-alpha-isoionone"],"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":[]}