{"ymdb_id":"YMDB16090","created_at":"2016-08-03T23:53:12.000Z","updated_at":"2016-09-10T00:52:20.000Z","name":"alpha-Calacorene","cas":null,"state":null,"melting_point":null,"description":"alpha-Calacorene, or 3,4-dihydrocadalene is found in alcoholic beverages. 3,4-Dihydrocadalene is a constituent of hop, sweet flag, Juniperus and other oils.","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":"(1S)-4,7-dimethyl-1-(propan-2-yl)-1,2-dihydronaphthalene","traditional_iupac":"(4S)-4-isopropyl-1,6-dimethyl-3,4-dihydronaphthalene","logp":"4.977701217333334","pka":null,"alogps_solubility":"1.97e-03 g/l","alogps_logp":"5.47","alogps_logs":"-5.01","acceptor_count":"0","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"0.0","refractivity":"67.6782","polarizability":"25.295357928882485","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":null,"pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"2","rule_of_five":"1","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":[]}