{"ymdb_id":"YMDB01679","created_at":"2011-08-31T03:34:59.000Z","updated_at":"2016-09-08T18:36:59.000Z","name":"Ellagic acid","cas":"476-66-4","state":"Liquid","melting_point":"\u003e 360 oC","description":"Ellagic acid is a phenolic acid, a type of polyphenol. It is structurally a gallic acid dimer and a component of ellagitannins which are a class of hydrolyzable tannins. 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":null,"location":null,"synthesis_reference":null,"chebi_id":"4775","hmdb_id":"HMDB02899","kegg_id":"C10788","pubchem_id":"5281855","cs_id":"4445149","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione","traditional_iupac":"6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione","logp":"2.315922418","pka":"6.223512033465745","alogps_solubility":"8.23e-01 g/l","alogps_logp":"1.59","alogps_logs":"-2.57","acceptor_count":"6","donor_count":"4","rotatable_bond_count":"0","polar_surface_area":"133.52","refractivity":"70.60760000000002","polarizability":"26.33823800600257","formal_charge":"0","physiological_charge":"-2","pka_strongest_basic":"-4.79589214812241","pka_strongest_acidic":"5.538315807620176","bioavailability":"1","number_of_rings":"4","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":["2,3,7,8-tetrahydroxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione","4,4',5,5',6,6'-hexahydroxydiphenic acid 2,6,2',6'-dilactone","Alizarine Yellow","Benzoarate","Benzoaric acid","Elagostasine","Eleagate","Eleagic acid","Ellagate","Ellagic acid","Ellagic acid dihydrate","Ellagic acid hydrate","Ellagsaeure","Gallogen","Gallogen (VAN)","Gallogen, astringent","Lagistase","Llagate","Llagic acid"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}