{"ymdb_id":"YMDB16102","created_at":"2016-08-03T23:53:22.000Z","updated_at":"2016-09-12T20:54:18.000Z","name":"beta-Myrcene","cas":null,"state":"Liquid","melting_point":null,"description":"beta-Myrcene, 7-methyl-3-methylene-1,6-octadiene is found in allspice. 7-Methyl-3-methylene-1,6-octadiene is found in many essential oils, e.g. hop oil. 7-Methyl-3-methylene-1,6-octadiene is a flavouring agent.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":null,"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":[],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":19845354,"citation":"Robinson AL, Ebeler SE, Heymann H, Boss PK, Solomon PS, Trengove RD. (2009). \"Interactions between wine volatile compounds and grape and wine matrix components influence aroma compound headspace partitioning.\" J Agric Food Chem. 2009 Nov 11;57(21):10313-22."}],"proteins":[]}