{"ymdb_id":"YMDB01699","created_at":"2011-08-31T03:37:27.000Z","updated_at":"2016-09-08T18:37:01.000Z","name":"Geosmin","cas":"19700-21-1","state":"Solid","melting_point":null,"description":"Geosmin is a contributor to cork taint or objectionable aromas in wine. It responsible for earthy or beetroot-like aromas.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"46702","hmdb_id":null,"kegg_id":"C16286","pubchem_id":"1213","cs_id":"23977191","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(4S,4aS,8aR)-4,8a-dimethyl-decahydronaphthalen-4a-ol","traditional_iupac":"geosmin","logp":"3.172581791333333","pka":null,"alogps_solubility":"5.12e-02 g/l","alogps_logp":"3.66","alogps_logs":"-3.55","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"0","polar_surface_area":"20.23","refractivity":"54.577799999999996","polarizability":"22.198503694843517","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-0.004709431003981135","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"2","rule_of_five":"1","ghose_filter":"1","veber_rule":"1","mddr_like_rule":"0","synonyms":["(-)-Geosmin","(4S-(4alpha,4aalpha,8abeta))-octahydro-4,8a-dimethyl-4a(2H)-naphthol","4,8a-Dimethyloctahydro-4a(2H)-naphthalenol","4a-alpha-(2H)-Naphthol, octahydro-4-alpha,8a-beta-dimethyl-","Geosmin","octahydro-4alpha,8abeta-dimethyl-4aalpha(2H)-naphthol","trans-1,10-Dimethyl-trans-9-decalol","trans-1,10-dimethyl-trans-decalol"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}