{"ymdb_id":"YMDB16100","created_at":"2016-08-03T23:53:20.000Z","updated_at":"2016-09-11T18:51:06.000Z","name":"beta-Damascone","cas":null,"state":null,"melting_point":null,"description":"beta-Damascone belongs to the class of chemical entities known as 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":"(2E)-1-(2,6,6-trimethylcyclohex-1-en-1-yl)but-2-en-1-one","traditional_iupac":"damascone","logp":"4.043525216333334","pka":null,"alogps_solubility":"1.21e-01 g/l","alogps_logp":"4.20","alogps_logs":"-3.20","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"2","polar_surface_area":"17.07","refractivity":"61.899800000000006","polarizability":"23.31577956537342","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.253767276711182","pka_strongest_acidic":null,"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":[]}