{"ymdb_id":"YMDB01323","created_at":"2011-07-25T20:17:30.000Z","updated_at":"2016-09-08T18:36:32.000Z","name":"Gallic acid","cas":"149-91-7","state":"Solid","melting_point":"258-265 oC","description":"Gallic acid (3,4,5-trihydroxybenzoic 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":"11.9 mg/mL at 20 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":"0.70 [HANSCH,C ET AL. (1995)]","location":"extracellular","synthesis_reference":"Cheng K F; Yip C S; Yeung H W; Kong Y C  Leonurine, an improved synthesis.    Experientia  (1979),  35(5),  571-2.  PubMed ID 446644 ","chebi_id":"30778","hmdb_id":"HMDB05807","kegg_id":"C01424","pubchem_id":"370","cs_id":"361","foodb_id":null,"wikipedia_link":"Gallic_acid","biocyc_id":"1-O6-O-DIGALLOYL-BETA-D-GLUCOSE","iupac":"3,4,5-trihydroxybenzoic acid","traditional_iupac":"galop","logp":"0.720132759","pka":"9.044962714429534","alogps_solubility":"4.94e+00 g/l","alogps_logp":"1.17","alogps_logs":"-1.54","acceptor_count":"5","donor_count":"4","rotatable_bond_count":"1","polar_surface_area":"97.99000000000001","refractivity":"39.2569","polarizability":"14.74977776338232","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"-6.048647901640675","pka_strongest_acidic":"3.9415641190048674","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["3,4,5-trihydroxy-Benzoate","3,4,5-trihydroxy-Benzoic acid","3,4,5-Trihydroxybenzoate","3,4,5-Trihydroxybenzoic acid","Benzoic acid, 3,4,5-trihydroxy-","Gallate","Gallic acid","Gallic acid polymer","Gallic acid tech.","Gallic acid, tech.","Galop","Kyselina 3,4,5-trihydroxybenzoova","Kyselina gallova","Pyrogallol-5-carboxylic acid"],"pathways":[],"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":[]}