{"ymdb_id":"YMDB15982","created_at":"2016-08-03T23:50:13.000Z","updated_at":"2016-09-10T00:52:06.000Z","name":"Dehydro-beta-ionone","cas":null,"state":null,"melting_point":null,"description":"dehydro-beta-Ionone belongs to the family of Enones. These are compounds containing the enone functional group, with the structure RC(=O)CR'","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(3E)-4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-3-en-2-one","traditional_iupac":"(3E)-4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-3-en-2-one","logp":"2.9137020136666667","pka":null,"alogps_solubility":"1.57e-01 g/l","alogps_logp":"4.34","alogps_logs":"-3.08","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"2","polar_surface_area":"17.07","refractivity":"62.938700000000004","polarizability":"22.63845188944706","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.759509049871447","pka_strongest_acidic":"19.703552599831806","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"1","veber_rule":"1","mddr_like_rule":"0","synonyms":[],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":19845354,"citation":"Robinson AL, Ebeler SE, Heymann H, Boss PK, Solomon PS, Trengove RD. (2009). \"Interactions between wine volatile compounds and grape and wine matrix components influence aroma compound headspace partitioning.\" J Agric Food Chem. 2009 Nov 11;57(21):10313-22."}],"proteins":[]}