{"ymdb_id":"YMDB16094","created_at":"2016-08-03T23:53:15.000Z","updated_at":"2016-09-10T00:52:03.000Z","name":"alpha-Ionone","cas":null,"state":null,"melting_point":null,"description":"alpha-Ionone belongs to the family of Monocyclic Monoterpenes. These are monoterpenes containing 1 ring in the isoprene chain","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":"(3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one","traditional_iupac":"α-ionone","logp":"3.3192814949999994","pka":null,"alogps_solubility":"4.96e-02 g/l","alogps_logp":"4.14","alogps_logs":"-3.59","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"2","polar_surface_area":"17.07","refractivity":"62.088699999999996","polarizability":"23.077753565120858","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.904326214789516","pka_strongest_acidic":"19.830428760239922","bioavailability":"1","number_of_rings":"1","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":[]}