{"ymdb_id":"YMDB01654","created_at":"2011-08-31T03:32:26.000Z","updated_at":"2016-09-08T18:36:57.000Z","name":"Cinnamaldehyde","cas":"104-55-2","state":"Liquid","melting_point":"-7.5 oC","description":"Cinnamaldehyde is a phenolic compound responsible for cinnamon aromas.","experimental_water_solubility":"1.42 mg/mL at 25 oC [VALVANI,SC et al. (1981)]","experimental_logp_hydrophobicity":"1.90 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":null,"chebi_id":"16731","hmdb_id":"HMDB03441","kegg_id":"C00903","pubchem_id":"637511","cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(2E)-3-phenylprop-2-enal","traditional_iupac":"cinnamal","logp":"1.9774700076666665","pka":null,"alogps_solubility":"4.09e-01 g/l","alogps_logp":"2.00","alogps_logs":"-2.51","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"2","polar_surface_area":"17.07","refractivity":"42.1345","polarizability":"14.476246951483136","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.439447314621728","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":["(2E)-3-Phenyl-2-propenal","(2E)-3-Phenylacrylaldehyde","(e)-3-Phenyl-2-propenal","(e)-3-Phenyl-propenal","(e)-3-Phenylpropenal","(e)-Cinnamaldehyde","(e)-Cinnamic aldehyde","(e)-Phenylvinyl aldehyde","3-Fenylpropenal","3-Phenyl-2-propen-1-al","3-Phenyl-2-propenaldehyde","3-Phenylacrolein","3-Phenylacrylaldehyde","3-Phenylprop-2-enal","3-Phenylprop-2-enaldehyde","3-Phenylpropenal","Benzylideneacetaldehyde","beta-Phenylacrolein","beta-Phenylcrolein","Cinnamal","Cinnamic aldehyde","Cinnamic aldehyde, (e)-isomer","Cinnamyl aldehyde","Cinnamylaldehyde","Cinnemaldehyde","Supercinnamaldehyde","trans-3-Phenyl-2-propenal","trans-3-Phenylprop-2-enaldehyde","trans-Cinnamaldehyde","trans-Cinnamic aldehyde","trans-Cinnamylaldehyde"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}