{"ymdb_id":"YMDB01440","created_at":"2011-07-25T20:38:05.000Z","updated_at":"2016-09-08T18:36:41.000Z","name":"2-phenylbut-2-enal","cas":"4411-89-6","state":null,"melting_point":null,"description":"Volatile aroma compound found in yeast extracts","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"5363896","cs_id":"19256","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-phenylbut-2-enal","traditional_iupac":"2-phenylbut-2-enal","logp":"2.429053830333333","pka":null,"alogps_solubility":"3.47e-01 g/l","alogps_logp":"2.74","alogps_logs":"-2.62","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"2","polar_surface_area":"17.07","refractivity":"46.491600000000005","polarizability":"16.31145710593758","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.342761709135801","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["(2Z)-2-Phenyl-2-butenal","2-Butenal, 2-phenyl","2-Phenyl-2-buten-1-al","2-phenyl-2-butenal","2-Phenylacetaldehyde, alpha-ethylidene","2-phenylcrotonaldehyde","alpha-ethylidenbenzeneacetaldehyde","alpha-ethylidene benzene acetaldehyde","alpha-Ethylidene-phenylacetaldehyde","Benzeneacetaldehyde, a-ethylidene-"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":16968089,"citation":"Mahadevan, K., Farmer, L. (2006). \"Key odor impact compounds in three yeast extract pastes.\" J Agric Food Chem 54:7242-7250."}],"proteins":[]}