{"ymdb_id":"YMDB16109","created_at":"2016-08-03T23:53:33.000Z","updated_at":"2016-09-11T18:51:07.000Z","name":"delta-Cadinene","cas":null,"state":null,"melting_point":null,"description":"delta-Cadinene belongs to the class of chemical entities known as sesquiterpenoids. 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":"(1S,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,3,5,6,8a-hexahydronaphthalene","traditional_iupac":"delta-cadinene","logp":"4.404689873","pka":null,"alogps_solubility":"4.15e-02 g/l","alogps_logp":"4.92","alogps_logs":"-3.69","acceptor_count":"0","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"0.0","refractivity":"68.3318","polarizability":"26.338881669751167","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":[]}