{"ymdb_id":"YMDB16096","created_at":"2016-08-03T23:53:16.000Z","updated_at":"2016-09-11T18:51:05.000Z","name":"alpha-Terpinene","cas":null,"state":null,"melting_point":null,"description":"alpha-Terpinene belongs to the class of chemical entities known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.","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":"1-methyl-4-(propan-2-yl)cyclohexa-1,3-diene","traditional_iupac":"terpinene","logp":"3.1618789813333334","pka":null,"alogps_solubility":"4.98e-01 g/l","alogps_logp":"4.51","alogps_logs":"-2.44","acceptor_count":"0","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"0.0","refractivity":"47.5528","polarizability":"17.59253929122949","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":null,"pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"1","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":[]}