{"ymdb_id":"YMDB16030","created_at":"2016-08-03T23:52:07.000Z","updated_at":"2016-09-12T20:54:16.000Z","name":"Isocineole","cas":null,"state":"Liquid","melting_point":null,"description":"Isocineole, or 1,4-Cineole is found in cardamom. 1,4-Cineole is a constituent of Piper cubeba (cubeb pepper). 1,4-Cineole belongs to the family of Bicyclic Monoterpenes. These are monoterpenes containing exactly 2 rings, which are fused to each other.","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":"1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane","traditional_iupac":"1,4-cineol","logp":"2.5043270663333335","pka":null,"alogps_solubility":"5.76e-02 g/l","alogps_logp":"2.31","alogps_logs":"-3.43","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"9.23","refractivity":"45.7069","polarizability":"18.89114577953177","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.20967657347654","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"2","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":[]}