{"ymdb_id":"YMDB01776","created_at":"2011-08-31T03:44:18.000Z","updated_at":"2016-09-08T18:37:07.000Z","name":"Piperonal","cas":"120-57-0","state":"Solid","melting_point":"37 oC","description":"Piperonal (heliotropin) is an aromatic aldehyde with a floral odor commonly described as being similar to that of vanillin and cherry. It is also responsible for peach-like aromas.","experimental_water_solubility":"3.5 mg/mL at 20 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":"1.05 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":null,"chebi_id":"8240","hmdb_id":null,"kegg_id":"C10812","pubchem_id":"8438","cs_id":"13859497","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2H-1,3-benzodioxole-5-carbaldehyde","traditional_iupac":"piperonal","logp":"1.3089816283333333","pka":null,"alogps_solubility":"8.28e+00 g/l","alogps_logp":"0.79","alogps_logs":"-1.26","acceptor_count":"3","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"35.53","refractivity":"38.4089","polarizability":"14.248836806071637","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.748857576577568","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"2","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["1,3-Benzodioxole-5-carbaldehyde","1,3-Benzodioxole-5-carboxaldehyde","3, 4-(Methylenedioxy)benzaldehyde","3, 4-Bis(methylenedioxy)benzaldehyde","3,4-(Methylenedioxy)benzaldehyde","3,4-Bis(methylenedioxy)benzaldehyde","3,4-Dihydroxybenzaldehyde methylene ketal","3,4-Methylene-dihydroxybenzaldehyde","3,4-methylenedioxybenzaldehyde","5-Formyl-1,3-benzodioxole","Benzaldehyde, 3,4-(methylenedioxy)-","Blue P","Dioxymethylene-protocatechuic aldehyde","Geliotropin","Heliotropin","Heliotropine","Heliotropine (Piperonal)","Piperanal","Piperonal","Piperonaldehyde","piperonyl aldehyde","Piperonylaldehyde","Protocatechuic aldehyde methylene ether"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}