{"ymdb_id":"YMDB01656","created_at":"2011-08-31T03:32:39.000Z","updated_at":"2016-09-08T18:36:57.000Z","name":"Citral","cas":"5392-40-5","state":"Liquid","melting_point":"\u003c-10 oC","description":"Citral is a compound responsible for lemon-like aromas.","experimental_water_solubility":"1.34 mg/mL at 37 oC [YALKOWSKY,SH \u0026 HE,Y (2003)]","experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"16980","hmdb_id":null,"kegg_id":"C01499","pubchem_id":"8843","cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(2E)-3,7-dimethylocta-2,6-dienal","traditional_iupac":"α-citral","logp":"2.664041581666667","pka":null,"alogps_solubility":"4.00e-01 g/l","alogps_logp":"3.37","alogps_logs":"-2.58","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"4","polar_surface_area":"17.07","refractivity":"50.124100000000006","polarizability":"18.595636664441315","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.056096067340819","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["(2E)-3,7-Dimethyl-2,6-octadienal","2, 6-Octadienal, 3,7-dimethyl-","2,6-Octadienal, 3,7-dimethyl-","3,7-Dimethyl-1,2, 6-octadienal","3,7-Dimethyl-1,2,6-octadienal","3,7-Dimethyl-2,6-octadienal","cis-Citral","cis,trans-Citral","Citral (cis and trans)","Citral acis-3,7-dimethyl-2,6-octadienal","Geranial","Lemarome n","Neral","trans-Citral","Z-3,7-Dimethyl-2,6-octadiene-1-al"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}