{"ymdb_id":"YMDB01753","created_at":"2011-08-31T03:42:16.000Z","updated_at":"2016-09-08T18:37:05.000Z","name":"Myrcene","cas":"123-35-3","state":"Liquid","melting_point":"\u003c-10 oC","description":"Myrcene is a hop oil constituent/fermentation product with a pleasant odor.","experimental_water_solubility":"0.0056 mg/mL at 25 oC [CHEMICALS INSPECTION AND TESTING INSTITU (1992)]","experimental_logp_hydrophobicity":"4.17 [CHEMICALS INSPECTION AND TESTING INSTITU (]","location":null,"synthesis_reference":null,"chebi_id":"17221","hmdb_id":null,"kegg_id":"C06074","pubchem_id":"10407","cs_id":"28993","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"7-methyl-3-methylideneocta-1,6-diene","traditional_iupac":"α-myrcene","logp":"3.537100136666666","pka":null,"alogps_solubility":"7.75e-02 g/l","alogps_logp":"4.32","alogps_logs":"-3.25","acceptor_count":"0","donor_count":"0","rotatable_bond_count":"4","polar_surface_area":"0.0","refractivity":"48.379","polarizability":"17.530537915576538","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":null,"pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["1, 6-Octadiene, 7-methyl-3-methylene-","1,6-Octadiene, 7-methyl-3-methylene-","2-Methyl-6-methylene-2,7-octadiene","3-Methylene-7-methyl-1, 6-octadiene","3-Methylene-7-methyl-1,6-octadiene","7-Methyl-3-methylene-1,6-octadiene","7-methyl-3-methylene-1,6-octadiene (beta-myrcene)","7-methyl-3-methylene-1,6-octadiene (myrcene)","7-Methyl-3-methylene-octa-1,6-diene","7-methyl-3-methyleneocta-1,6-diene","7-Methyl-3-methyleneoctadiene-(1,6)","b-Geraniolene","b-Myrcene","beta-mircene","beta-Myrcene","Myrcene"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}