{"ymdb_id":"YMDB01572","created_at":"2011-08-31T03:24:06.000Z","updated_at":"2016-09-12T20:54:12.000Z","name":"Sotolon","cas":"28664-35-9","state":"Liquid","melting_point":null,"description":"3-Hydroxy-4,5-dimethyl-2(5H)-furanone (Sotolon) is a compound responsible for nutty and spicy aromas.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"62835","cs_id":"56569","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"3-hydroxy-4,5-dimethyl-2,5-dihydrofuran-2-one","traditional_iupac":"sotolon","logp":"0.6778942036666665","pka":"16.255657026428107","alogps_solubility":"2.18e+02 g/l","alogps_logp":"-0.14","alogps_logs":"0.23","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"0","polar_surface_area":"46.53","refractivity":"31.915599999999998","polarizability":"12.348203095543226","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-3.0517646399019753","pka_strongest_acidic":"9.276714669633304","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["3-Hydroxy-4,5-dimethyl-2(5H)-furanone","3-hydroxy-4,5-dimethyl-2(5H)-furanone (sotolon)","3-hydroxy-4,5-dimethyl-5H-furan-2-one","3-hydroxy-4,5-dimethylfuran-2( 5H)-one (sotolon)","3-hydroxy-4,5-dimethylfuran-2(5H)-one","4,5-dimethyl-3-hydroxy-2-(5H)-furanone (sotolon)","4,5-dimethyl-3-hydroxy-2,5-dihydrofuran-2-one (sotolon)","4,5-Dimethyl-3-hydroxy-2(5H)-furanone","Furan-2(5H)-one, 3-hydroxy-4,5-dimethyl-"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":12848510,"citation":"Silva Ferreira, A. C., Barbe, J. C., Bertrand, A. (2003). \"3-Hydroxy-4,5-dimethyl-2(5H)-furanone: a key odorant of the typical aroma of oxidative aged Port wine.\" J Agric Food Chem 51:4356-4363."}],"proteins":[]}