{"ymdb_id":"YMDB01459","created_at":"2011-07-25T20:40:27.000Z","updated_at":"2016-09-08T18:36:42.000Z","name":"2-furancarboxaldehyde","cas":"98-01-1","state":"Liquid","melting_point":"-38.1 oC","description":"Volatile aroma compound found in yeast extracts","experimental_water_solubility":"74.1 mg/mL at 25 oC [YALKOWSKY,SH \u0026 HE,Y (2003)]","experimental_logp_hydrophobicity":"0.41 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":null,"chebi_id":"42593","hmdb_id":null,"kegg_id":"C14279","pubchem_id":"7362","cs_id":"13863629","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"furan-2-carbaldehyde","traditional_iupac":"bran oil","logp":"0.7459948046666665","pka":null,"alogps_solubility":"1.54e+01 g/l","alogps_logp":"0.43","alogps_logs":"-0.79","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"30.21","refractivity":"25.0329","polarizability":"8.866332628341945","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-3.02289615661734","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":["2-Formylfuran","2-Furaldehyde","2-Furanaldehyde","2-Furancarbonal","2-Furancarboxaldehyde (furfural)","2-furancarboxyaldehyde","2-Furankarbaldehyd","2-Furfural","2-Furfuraldehyde","2-Furil-metanale","2-Furyl-methanal","2-Furylaldehyde","2-Furylaldehyde xypropane","2-Furylcarboxaldehyde","2-Furylmethanal","5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone","alpha-Furole","Cyclic aldehyde","Fural","Furaldehyde","Furale","furan-2-aldehyde","furan-2-carbaldehyde","Furancarbonal","furancarboxaldehyde (furfural)","Furfural","furfural (2-furancarboxaldehyde)","furfural * 2-Furancarboxaldehyde","Furfuraldehyde","Furfurale","Furfuralu","Furfurol","Furfurole","Furfurylaldehyde","Furol","Furole","Pyromucic aldehyde","Qo furfural"],"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."},{"pubmed_id":17439666,"citation":"Castrillo, J. I., Zeef, L. A., Hoyle, D. C., Zhang, N., Hayes, A., Gardner, D. C., Cornell, M. J., Petty, J., Hakes, L., Wardleworth, L., Rash, B., Brown, M., Dunn, W. B., Broadhurst, D., O'Donoghue, K., Hester, S. S., Dunkley, T. P., Hart, S. R., Swainston, N., Li, P., Gaskell, S. J., Paton, N. W., Lilley, K. S., Kell, D. B., Oliver, S. G. (2007). \"Growth control of the eukaryote cell: a systems biology study in yeast.\" J Biol 6:4."}],"proteins":[]}