{"ymdb_id":"YMDB16019","created_at":"2016-08-03T23:51:57.000Z","updated_at":"2016-09-10T00:52:11.000Z","name":"Isoamyl 2-furoate","cas":null,"state":null,"melting_point":null,"description":"Isoamyl 2-furoate belongs to the family of Furoic Acid Derivatives. These are organic compounds containing a furoic acid moiety, whose structure is characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon 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":"3-methylbutyl furan-2-carboxylate","traditional_iupac":"3-methylbutyl furan-2-carboxylate","logp":"2.647887535","pka":null,"alogps_solubility":"1.78e-01 g/l","alogps_logp":"3.02","alogps_logs":"-3.01","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"5","polar_surface_area":"39.44","refractivity":"48.8964","polarizability":"19.614188178609375","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.618956763974911","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"1","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":[]}