{"ymdb_id":"YMDB01630","created_at":"2011-08-31T03:30:08.000Z","updated_at":"2016-09-08T18:36:55.000Z","name":"Acetosyringone","cas":"2478-38-8","state":null,"melting_point":null,"description":"Acetosyringone is a phenolic compound related to acetophenone and 2,6-dimethoxyphenol. It was first described in relation to lignan/phenylpropanoid-type phytochemicals, with isolation from a variety of plant sources, in particular, in relation to wounding and other physiologic changes.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"2404","hmdb_id":null,"kegg_id":"C10664","pubchem_id":"9448550","cs_id":"16280","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"1-(4-hydroxy-3,5-dimethoxyphenyl)ethan-1-one","traditional_iupac":"acetosyringone","logp":"0.9119854816666666","pka":"16.41433805574086","alogps_solubility":"2.53e+00 g/l","alogps_logp":"1.67","alogps_logs":"-1.89","acceptor_count":"4","donor_count":"1","rotatable_bond_count":"3","polar_surface_area":"55.760000000000005","refractivity":"51.368100000000005","polarizability":"19.86731506957625","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.608511486793039","pka_strongest_acidic":"7.712027258898111","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":["1-(4-Hydroxy-3,5-dimethoxyphenyl)-ethanone (acetosyringone)","1-(4-Hydroxy-3,5-dimethoxyphenyl)ethanone","3,5-Dimethoxy-4-hydroxyacetophenone","3',5'-Dimethoxy-4'-hydroxyacetophenone","4-acetylsyringol","4-Hydroksy-3',5'-dwumetoksyacetofenon","4-hydroxy-3,5-dimethoxyacetophenone","4'-Hydroxy-3',5'-dimethoxyacetophenone","Acetophenone, 3,5-dimethoxy-4-hydroxy-","Acetophenone, 4'-hydroxy-3',5'-dimethoxy-","Acetosyringon","Acetosyringone","Phenol, 4-acetyl-2,6-dimethoxy"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":17616208,"citation":"Loscos, N., Hernandez-Orte, P., Cacho, J., Ferreira, V. (2007). \"Release and formation of varietal aroma compounds during alcoholic fermentation from nonfloral grape odorless flavor precursors fractions.\" J Agric Food Chem 55:6674-6684."}],"proteins":[]}