{"ymdb_id":"YMDB01739","created_at":"2011-08-31T03:40:58.000Z","updated_at":"2016-09-08T18:37:04.000Z","name":"Megastigmatrienone","cas":"13215-88-8","state":null,"melting_point":null,"description":"Megastigmatrienone is a compound responsible for spicy aromas in wines.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"5375190","cs_id":"23351262","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(4Z)-4-[(2E)-but-2-en-1-ylidene]-3,5,5-trimethylcyclohex-2-en-1-one","traditional_iupac":"(4Z)-4-[(2E)-but-2-en-1-ylidene]-3,5,5-trimethylcyclohex-2-en-1-one","logp":"3.1696691956666676","pka":null,"alogps_solubility":"2.27e-01 g/l","alogps_logp":"4.26","alogps_logs":"-2.92","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"17.07","refractivity":"62.9646","polarizability":"22.850111272017728","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.659426530328395","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":["4-[(1E)-1,3-Butadienyl]-3,5,5-trimethyl-2-cyclohexen-1-one"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}