{"ymdb_id":"YMDB01653","created_at":"2011-08-31T03:32:23.000Z","updated_at":"2016-09-08T18:36:57.000Z","name":"Catechin","cas":"154-23-4","state":"Solid","melting_point":"214 oC","description":"Catechin is a flavanol, a type of polyphenol. Polyphenol are secondary plant metabolites and component of grapes and wines that 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":null,"experimental_logp_hydrophobicity":"0.51 [PERRISSOUD,D \u0026 TESTA,B (1986)]","location":null,"synthesis_reference":null,"chebi_id":"15600","hmdb_id":"HMDB02780","kegg_id":"C06562","pubchem_id":"9064","cs_id":"23170444","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol","traditional_iupac":"(+)-catechol","logp":"1.795107015333333","pka":"9.624022697297178","alogps_solubility":"6.45e-01 g/l","alogps_logp":"1.02","alogps_logs":"-2.65","acceptor_count":"6","donor_count":"5","rotatable_bond_count":"1","polar_surface_area":"110.38000000000001","refractivity":"73.99970000000003","polarizability":"27.8872798853884","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-3.289719332242856","pka_strongest_acidic":"9.004573813837975","bioavailability":"1","number_of_rings":"3","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":["(+)-(2R,3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol","(+)-3',4',5,7-Tetrahydroxy-2,3-trans-flavan-3-ol","(+)-Catechin hydrate","(+)-Catechol","(+)-Cyanidan-3-ol","(+)-Cyanidanol","(+)-Cyanidanol-3","(+/-)-catechin","(+/-)-catechin hydrate","(2R-trans)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol","(2R,3S)-(+)-Catechin","(2R,3S)-Catechin","3,3',4',5,7-Flavanpentol","Acid, catechinic","Acid, catechuic","Biocatechin","Catechin","Catechinate","Catechinic acid","Catechuate","Catechuic acid","Catergen","Cianidanol","Cianidanolum","Cianidol","Cyanidanol","Cyanidanol 3","Cyanidanol-3","D-(+)-Catechin","D-Catechin","Epicatechin","KB 53","KB-53","trans3,3,4,5,7 Pentahydroxyflavane","YK-85 light yellow powder 85","Zyma"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}