{"ymdb_id":"YMDB15987","created_at":"2016-08-03T23:51:24.000Z","updated_at":"2016-09-11T18:50:53.000Z","name":"Dihydro-α-ionone","cas":null,"state":null,"melting_point":null,"description":"Dihydro-alpha-ionone belongs to the class of chemical entities known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.","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":"4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-one","traditional_iupac":"4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-one","logp":"3.3214580053333327","pka":null,"alogps_solubility":"6.41e-02 g/l","alogps_logp":"4.13","alogps_logs":"-3.48","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"3","polar_surface_area":"17.07","refractivity":"60.9954","polarizability":"23.695066282027202","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.271349590062568","pka_strongest_acidic":"19.551151388391403","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":[]}