{"ymdb_id":"YMDB16049","created_at":"2016-08-03T23:52:23.000Z","updated_at":"2016-09-10T00:52:14.000Z","name":"Methyl geranate","cas":null,"state":null,"melting_point":null,"description":"Methyl_geranate belongs to the family of Acyclic Monoterpenes. These are monoterpenes (compounds made of two consecutive isoprene units) that do not contain a cycle.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"methyl (2E)-3,7-dimethylocta-2,6-dienoate","traditional_iupac":"methyl (2E)-3,7-dimethylocta-2,6-dienoate","logp":"3.2018852233333335","pka":null,"alogps_solubility":"3.76e-01 g/l","alogps_logp":"3.67","alogps_logs":"-2.69","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"5","polar_surface_area":"26.3","refractivity":"55.8186","polarizability":"21.678634490321492","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-6.794097333724184","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"1","veber_rule":"1","mddr_like_rule":"0","synonyms":[],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":19845354,"citation":"Robinson AL, Ebeler SE, Heymann H, Boss PK, Solomon PS, Trengove RD. (2009). \"Interactions between wine volatile compounds and grape and wine matrix components influence aroma compound headspace partitioning.\" J Agric Food Chem. 2009 Nov 11;57(21):10313-22."}],"proteins":[]}