{"ymdb_id":"YMDB00877","created_at":"2011-05-29T19:00:34.000Z","updated_at":"2016-09-08T18:36:01.000Z","name":"sulcatone","cas":"110-93-0","state":"Liquid","melting_point":"-67.1 oC","description":"Sulcatone is a sulcatol ketone. Sulcatol is known as a pheromone isolated from Gnathotrichus retusus (western pinewood stainer).","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"16310","hmdb_id":null,"kegg_id":"C07287","pubchem_id":"9862","cs_id":"9478","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"6-methylhept-5-en-2-one","traditional_iupac":"6-methyl-5-hepten-2-one","logp":"2.021961265333334","pka":null,"alogps_solubility":"3.54e+00 g/l","alogps_logp":"2.01","alogps_logs":"-1.55","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"3","polar_surface_area":"17.07","refractivity":"40.0233","polarizability":"15.532670844876723","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.277827114901278","pka_strongest_acidic":"19.59876414991478","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["2-Methyl-2-hepten-6-one","5-Hepten-2-one, 6-methyl-","6-Methyl hept-5-en-2-one","6-Methyl-5-hepten-2-one","6-methyl-5-hepten-2-one","6-Methyl-5-heptene-2-one","6-Methylhept-5-en-2-one","METHYL HEPTENONE","Sulcatone"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":21062828,"citation":"Scheer, M., Grote, A., Chang, A., Schomburg, I., Munaretto, C., Rother, M., Sohngen, C., Stelzer, M., Thiele, J., Schomburg, D. (2011). \"BRENDA, the enzyme information system in 2011.\" Nucleic Acids Res 39:D670-D676."}],"proteins":[]}