{"ymdb_id":"YMDB16038","created_at":"2016-08-03T23:52:13.000Z","updated_at":"2016-09-10T00:52:25.000Z","name":"Lavander lactone","cas":null,"state":null,"melting_point":null,"description":"Lavander lactone, or 4-hydroxy-4-methyl-5-hexenoic acid gamma lactone is used as a food additive [EAFUS] (\"EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]\"). 4-Hydroxy-4-methyl-5-hexenoic acid gamma lactone belongs to the family of Lactones. These are cyclicA esters of hydroxyA carboxylic acids, containing a 1-oxacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring [1].","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-ethenyl-5-methyloxolan-2-one","traditional_iupac":"5-ethenyl-5-methyloxolan-2-one","logp":"1.221144867333333","pka":null,"alogps_solubility":"9.66e+00 g/l","alogps_logp":"1.49","alogps_logs":"-1.12","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"26.3","refractivity":"33.7792","polarizability":"13.154783149511527","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.0617137391233475","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":[]}