{"ymdb_id":"YMDB01492","created_at":"2011-07-25T20:45:18.000Z","updated_at":"2016-09-08T18:36:44.000Z","name":"3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-propanoic acid","cas":null,"state":null,"melting_point":null,"description":"3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-propanoic acid is found in yeast extract and wine as the (3S)-diastereoisomers.","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":"FDB013456","wikipedia_link":null,"biocyc_id":null,"iupac":"1-(2-carboxyethyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid","traditional_iupac":"1-(2-carboxyethyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid","logp":"-1.1603111031783109","pka":"4.471828699372392","alogps_solubility":"4.42e-01 g/l","alogps_logp":"-0.59","alogps_logs":"-2.81","acceptor_count":"5","donor_count":"4","rotatable_bond_count":"4","polar_surface_area":"102.42000000000002","refractivity":"74.6187","polarizability":"29.992093725186994","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"9.309218485789424","pka_strongest_acidic":"1.7519168985713742","bioavailability":"1","number_of_rings":"3","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["1-(2-Carboxyethyl)-1,2,3,4-tetrahydro-b-carboline-3-carboxylic acid"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":null,"citation":"Yannai S. Dictionary of food compounds with CD-ROM: additives, flavors, and ingredients. Chapman \u0026 Hall/CRC; 2004."}],"proteins":[]}