{"ymdb_id":"YMDB16059","created_at":"2016-08-03T23:52:33.000Z","updated_at":"2016-09-11T18:51:00.000Z","name":"Ocimene quintoxide","cas":null,"state":null,"melting_point":null,"description":"Ocimene quintoxide belongs to the class of chemical entities known as oxolanes. These are organic compounds containing an oxolane (tetrahydrofuran) ring, which is a saturated aliphatic five-member ring containing one oxygen and five carbon atoms.","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":"5-[(2E)-but-2-en-2-yl]-2,2-dimethyloxolane","traditional_iupac":"5-[(2E)-but-2-en-2-yl]-2,2-dimethyloxolane","logp":"2.6485117543333327","pka":null,"alogps_solubility":"4.38e-01 g/l","alogps_logp":"3.82","alogps_logs":"-2.55","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"9.23","refractivity":"48.398900000000005","polarizability":"19.17569736363643","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.21342096490661","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"1","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":[]}