{"ymdb_id":"YMDB01701","created_at":"2011-08-31T03:37:45.000Z","updated_at":"2016-09-08T18:37:01.000Z","name":"Geranyl acetone","cas":"67-64-1","state":"Liquid","melting_point":"-94.8 oC","description":"Geranyl acetone is responsible for magnolia floral aromas in Muscat wines.","experimental_water_solubility":"1000 mg/mL at 25 oC [RIDDICK,JA et al. (1986)]","experimental_logp_hydrophobicity":"-0.24 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":null,"chebi_id":"15347","hmdb_id":"HMDB01659","kegg_id":"C00207","pubchem_id":"1549778","cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(5E)-6,10-dimethylundeca-5,9-dien-2-one","traditional_iupac":"geranylacetone","logp":"3.6816755403333334","pka":null,"alogps_solubility":"9.42e-02 g/l","alogps_logp":"4.59","alogps_logs":"-3.31","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"6","polar_surface_area":"17.07","refractivity":"63.8259","polarizability":"24.90987585771945","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.2778271430393975","pka_strongest_acidic":"19.598762051814717","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"1","veber_rule":"1","mddr_like_rule":"0","synonyms":["\u0026beta;-Ketopropane","2-propanone","Acetone","b-Ketopropane","beta-Ketopropane","dimethyl ketone","dimethylcetone","Dimethylformaldehyde","Dimethylketal","Dimethylketon","Ketone, dimethyl-","Methyl ketone","Propanone","Pyroacetic ether"],"pathways":[{"name":"Ketone Body Metabolism","kegg_map_id":null}],"growth_conditions":[],"references":[],"proteins":[]}