{"ymdb_id":"YMDB15977","created_at":"2016-08-03T23:50:09.000Z","updated_at":"2016-09-11T18:50:51.000Z","name":"Citronellol acetate","cas":null,"state":null,"melting_point":null,"description":"Citronellol acetate belongs to the class of chemical entities known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.","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":"3,7-dimethyloct-6-en-1-yl acetate","traditional_iupac":"citronellyl acetate","logp":"3.193180727666666","pka":null,"alogps_solubility":"6.85e-02 g/l","alogps_logp":"4.13","alogps_logs":"-3.46","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"7","polar_surface_area":"26.3","refractivity":"59.6376","polarizability":"24.403733199020778","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-6.99383218095138","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":[]}