{"ymdb_id":"YMDB01322","created_at":"2011-07-25T20:17:22.000Z","updated_at":"2016-09-08T18:36:32.000Z","name":"Salicylic acid","cas":"69-72-7","state":"Solid","melting_point":"158 oC","description":"Salicylic acid (2-hydroxybenzoic acid) is a phenolic acid, a type of polyphenol. Polyphenol are secondary plant metabolites and components of grapes, wines and beers. They contribute to the sensory characteristics of wine. Yeast can influence the polyphenolic wine composition by adsorbing them throught its cell wall during wine making. [Caridi 2004]","experimental_water_solubility":"2.24 mg/mL at 25 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":"2.26 [HANSCH,C ET AL. (1995)]","location":"extracellular","synthesis_reference":"Yin, Yingwu; Guo, Qingbin.  Preparation of salicylic acid from phenol.    Faming Zhuanli Shenqing Gongkai Shuomingshu  (2005),     7pp.","chebi_id":"16914","hmdb_id":"HMDB01895","kegg_id":"C00805","pubchem_id":"338","cs_id":"331","foodb_id":null,"wikipedia_link":"Salicylic acid","biocyc_id":"CPD-110","iupac":"2-hydroxybenzoic acid","traditional_iupac":"salicylic","logp":"1.977263402333333","pka":"13.228682517040586","alogps_solubility":"1.13e+01 g/l","alogps_logp":"1.96","alogps_logs":"-1.09","acceptor_count":"3","donor_count":"2","rotatable_bond_count":"1","polar_surface_area":"57.53","refractivity":"35.2951","polarizability":"12.814587378025518","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"-6.285929432184692","pka_strongest_acidic":"2.7897391795725692","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["2-Carboxyphenol","2-Hydroxybenzenecarboxylate","2-Hydroxybenzenecarboxylic acid","2-Hydroxybenzoate","2-Hydroxybenzoic acid","Benzoic acid, 2-hydroxy-","Benzoic acid, o-hydroxy-","o-Carboxyphenol","o-Hydroxybenzoate","o-Hydroxybenzoic acid","Orthohydroxybenzoic acid","Phenol-2-carboxylate","Phenol-2-carboxylic acid","Psoriacid-S-Stift","Salicyclic acid","Salicylate","Salicylic acid","Saligel","Salonil","Trans-Ver-Sal"],"pathways":[{"name":"Phenylalanine metabolism","kegg_map_id":"00360"}],"growth_conditions":[],"references":[{"pubmed_id":1917903,"citation":"Okabe, Y., Katayama, N., Iwama, M., Watanabe, H., Ohgi, K., Irie, M., Nitta, K., Kawauchi, H., Takayanagi, Y., Oyama, F., et, a. l. .. (1991). \"Comparative base specificity, stability, and lectin activity of two lectins from eggs of Rana catesbeiana and R. japonica and liver ribonuclease from R. catesbeiana.\" J Biochem 109:786-790."}],"proteins":[]}