{"ymdb_id":"YMDB01608","created_at":"2011-08-31T03:27:25.000Z","updated_at":"2016-09-08T18:36:53.000Z","name":"3-Oxo-alpha-ionol","cas":"23526-45-6","state":null,"melting_point":null,"description":"3-Oxo-alpha-ionol is a derivative of alpha-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":"49164","hmdb_id":null,"kegg_id":"C01760","pubchem_id":"5370052","cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"4-[(1E)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one","traditional_iupac":"4-[(1E)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one","logp":"2.26648388","pka":null,"alogps_solubility":"7.10e-01 g/l","alogps_logp":"2.14","alogps_logs":"-2.47","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"2","polar_surface_area":"37.3","refractivity":"63.707100000000004","polarizability":"23.866725822263454","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-1.9621191530641804","pka_strongest_acidic":"16.91142445950752","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"1","veber_rule":"1","mddr_like_rule":"0","synonyms":["(4S)-4-hydroxy-4-[(1E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one","(6S,9R)-6-Hydroxy-3-oxo-alpha-ionol","(6S,9R)-Vomifoliol","Blumenol A","Vomifoliol"],"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":[]}