{"ymdb_id":"YMDB15976","created_at":"2016-08-03T23:50:08.000Z","updated_at":"2016-09-11T18:50:51.000Z","name":"Citronellol","cas":null,"state":null,"melting_point":null,"description":"Citronellol belongs to the class of chemical entities known as acyclic monoterpenoids. These are monoterpenes 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":"3,7-dimethyloct-6-en-1-ol","traditional_iupac":"citronellol, (+-)-","logp":"2.752055317333333","pka":null,"alogps_solubility":"8.46e-01 g/l","alogps_logp":"3.48","alogps_logs":"-2.27","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"5","polar_surface_area":"20.23","refractivity":"50.48609999999999","polarizability":"20.050753718442103","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-1.8759770595769654","pka_strongest_acidic":"17.10979181623922","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","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":[]}