{"ymdb_id":"YMDB15905","created_at":"2016-08-03T23:41:38.000Z","updated_at":"2016-09-10T00:51:55.000Z","name":"(e)-Oak lactone","cas":null,"state":null,"melting_point":null,"description":"(E)-Oak lactone belongs to the family of Oxolanes. These are organic compounds containing an oxolane (tetrahydrofuran) ring, which is a saturated aliphatic five-member ring containing one oxygen and five carbon atoms.","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":"(4S,5S)-5-butyl-4-methyloxolan-2-one","traditional_iupac":"cis-3-methyl-4-octanolide","logp":"2.3427588816666662","pka":null,"alogps_solubility":null,"alogps_logp":null,"alogps_logs":null,"acceptor_count":"1","donor_count":"0","rotatable_bond_count":"3","polar_surface_area":"26.3","refractivity":"42.9245","polarizability":"18.188976203700157","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.046106565579531","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":[]}