{"ymdb_id":"YMDB16098","created_at":"2016-08-03T23:53:18.000Z","updated_at":"2016-09-10T00:52:04.000Z","name":"beta-Calacorene","cas":null,"state":null,"melting_point":null,"description":"beta-Calacorene belongs to the family of Sesquiterpenes. These are terpenes with three consecutive isoprene units","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":"6-methyl-1-methylidene-4-(propan-2-yl)-1,2,3,4-tetrahydronaphthalene","traditional_iupac":"4-isopropyl-6-methyl-1-methylidene-3,4-dihydro-2H-naphthalene","logp":"5.035634887666667","pka":null,"alogps_solubility":"1.11e-03 g/l","alogps_logp":"5.45","alogps_logs":"-5.26","acceptor_count":"0","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"0","refractivity":"66.6057","polarizability":"25.041597376809058","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":null,"pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"2","rule_of_five":"0","ghose_filter":"1","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":[]}