{"ymdb_id":"YMDB16106","created_at":"2016-08-03T23:53:30.000Z","updated_at":"2016-09-12T20:54:19.000Z","name":"gamma-Hexalactone","cas":null,"state":"Liquid","melting_point":null,"description":"gamma-Hexalactone belongs to the class of chemical entities known as gamma butyrolactones. These are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.","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":"5-ethyloxolan-2-one","traditional_iupac":"gamma-hexalactone","logp":"1.0886487253333332","pka":null,"alogps_solubility":"2.24e+01 g/l","alogps_logp":"0.77","alogps_logs":"-0.71","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"26.3","refractivity":"29.2509","polarizability":"12.15642395669613","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.042532034562416","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","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":[]}