{"ymdb_id":"YMDB16022","created_at":"2016-08-03T23:51:59.000Z","updated_at":"2016-09-10T00:52:11.000Z","name":"Isoamyl lactate","cas":null,"state":null,"melting_point":null,"description":"Isoamyl lactate belongs to the family of Alpha Hydroxy Acids and Derivatives. These are organic compounds containing a carboxylic acid substituted with a hydroxyl group on the adjacent carbon","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":"3-methylbutyl 2-hydroxypropanoate","traditional_iupac":"3-methylbutyl 2-hydroxypropanoate","logp":"1.2849826490000003","pka":null,"alogps_solubility":"1.76e+01 g/l","alogps_logp":"1.50","alogps_logs":"-0.96","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"5","polar_surface_area":"46.53","refractivity":"42.0311","polarizability":"18.092494027107012","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-3.673850617513989","pka_strongest_acidic":"12.999427029003225","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","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":[]}