{"ymdb_id":"YMDB01599","created_at":"2011-08-31T03:26:27.000Z","updated_at":"2016-09-08T18:36:52.000Z","name":"2,6-Dimethyl-1,7-octadien-3,6-diol","cas":"51276-33-6","state":null,"melting_point":null,"description":"2,6-Dimethyl-1,7-octadien-3,6-diol branched chain secoundary alcohol 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":"548927","cs_id":"477667","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2,6-dimethylocta-1,7-diene-3,6-diol","traditional_iupac":"2,6-dimethylocta-1,7-diene-3,6-diol","logp":"1.474615056","pka":"14.978055276562273","alogps_solubility":"4.55e+00 g/l","alogps_logp":"1.28","alogps_logs":"-1.57","acceptor_count":"2","donor_count":"2","rotatable_bond_count":"5","polar_surface_area":"40.46","refractivity":"50.64959999999999","polarizability":"19.828728298215797","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-2.9285638879007285","pka_strongest_acidic":"14.367163949089438","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":["1,7-Octadiene-3,6-diol, 2,6-dimethyl-","2,6-Dimethyl-1,7-octadiene-3,6-diol","2,6-Dimethyl-octa-1,7-dien-3,6-diol","3,7-Dimethyl-1,7-octadien-3,6-diol","3,7-dimethyl-1,7-octadiene-3,6-diol","3,7-dimethylocta-1,7-dien-3,6-diol","3,7-dimethylocta-1,7-diene-3,6-diol"],"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":[]}