{"ymdb_id":"YMDB16105","created_at":"2016-08-03T23:53:29.000Z","updated_at":"2016-09-11T18:51:06.000Z","name":"gamma-Heptalactone","cas":null,"state":null,"melting_point":null,"description":"gamma-Heptalactone 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-propyloxolan-2-one","traditional_iupac":"5-propyloxolan-2-one","logp":"1.5332173903333333","pka":null,"alogps_solubility":"6.81e+00 g/l","alogps_logp":"1.42","alogps_logs":"-1.27","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"2","polar_surface_area":"26.3","refractivity":"33.8519","polarizability":"14.169291261219772","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.04255210337142","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":[]}