{"ymdb_id":"YMDB01375","created_at":"2011-07-25T20:24:13.000Z","updated_at":"2016-09-08T18:36:36.000Z","name":"1-[2,6,6-Trimethyl-1,3-cyclohexadien-1-yl]-2-buten-1-one","cas":"23696-85-7","state":null,"melting_point":null,"description":"Damascenones are a series of closely related chemical compounds that are components of a variety of essential oils. The damascenones belong to a family of chemicals known as rose ketones, which also includes damascones and ionones. beta-Damascenone is a major contributor to the aroma of roses, despite its very low concentration, and is an important fragrance chemical used in perfumery. The damascenones are derived from the degradation of carotenoids. [Wikipedia]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"extracellular","synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"5366074","cs_id":"24590142","foodb_id":null,"wikipedia_link":"Damascenone","biocyc_id":null,"iupac":"(2E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one","traditional_iupac":"damascenone","logp":"3.6816035596666667","pka":null,"alogps_solubility":"1.91e-01 g/l","alogps_logp":"4.02","alogps_logs":"-3.00","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"2","polar_surface_area":"17.07","refractivity":"63.01640000000001","polarizability":"22.606738542802788","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.246642868703947","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"1","veber_rule":"1","mddr_like_rule":"0","synonyms":["1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":20151225,"citation":"Tsakiris, A., Koutinas, A. A., Psarianos, C., Kourkoutas, Y., Bekatorou, A. (2010). \"A new process for wine production by penetration of yeast in uncrushed frozen grapes.\" Appl Biochem Biotechnol 162:1109-1121."}],"proteins":[]}