{"ymdb_id":"YMDB01444","created_at":"2011-07-25T20:38:34.000Z","updated_at":"2016-09-08T18:36:41.000Z","name":"1-octen-3-one","cas":"4312-99-6","state":null,"melting_point":null,"description":"1-Octen-3-one is a volatile aroma compound found in yeast extracts. It is responsible for metallic-mushroom like aromas, and contributes to cork taint or objectionable aromas in wine.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"61346","cs_id":"55282","foodb_id":null,"wikipedia_link":"Oct-1-en-3-one","biocyc_id":null,"iupac":"oct-1-en-3-one","traditional_iupac":"oct-1-en-3-one","logp":"2.8968146573333335","pka":null,"alogps_solubility":"2.41e-01 g/l","alogps_logp":"2.38","alogps_logs":"-2.72","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"5","polar_surface_area":"17.07","refractivity":"39.272400000000005","polarizability":"15.545641586068422","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.747604355765452","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":["1-Octene-3-one","Amyl vinyl ketone","oct-1-en-3-one","octen-3-one, 1","Pentyl vinyl ketone","Vinyl amyl ketone"],"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":[]}