{"ymdb_id":"YMDB16045","created_at":"2016-08-03T23:52:19.000Z","updated_at":"2016-09-10T00:52:26.000Z","name":"Methionol","cas":null,"state":null,"melting_point":null,"description":"Methionol, or 3-(methylthio)-1-propanol is found in alcoholic beverages. 3-(Methylthio)-1-propanol is widely distributed aroma constituent of foods and beverages e.g. wines, beers, stored apples, melon, pineapple, cheddar cheese, asparagus, tomato, shoyu, ham, roasted coffee, cooked clams, cooked shrimps, soy sauce etc. 3-(Methylthio)-1-propanol belongs to the family of Thioethers. These are compounds containing the ester derivative of thiocarboxylic acid,with the general structure R-S-R' (R,R'=alkyl,aryl).","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-(methylsulfanyl)propan-1-ol","traditional_iupac":"methionol","logp":"0.4896592643333335","pka":null,"alogps_solubility":"3.31e+01 g/l","alogps_logp":"0.32","alogps_logs":"-0.51","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"3","polar_surface_area":"20.23","refractivity":"30.098599999999998","polarizability":"12.261882264899016","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-2.3844472731891972","pka_strongest_acidic":"15.947308474647468","bioavailability":"1","number_of_rings":"0","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":[]}