{"ymdb_id":"YMDB01789","created_at":"2011-08-31T03:45:41.000Z","updated_at":"2016-09-08T18:37:08.000Z","name":"Terpin","cas":"80-53-5","state":"Solid","melting_point":"158 oC","description":"Terpin is a nearly odorless compound having an aromatic and bitter taste.","experimental_water_solubility":"10 mg/mL at 20 oC [MERCK INDEX (1996)]","experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"9457","hmdb_id":null,"kegg_id":"C06075","pubchem_id":"6651","cs_id":"6399","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol","traditional_iupac":"terpin","logp":"1.1867160339999994","pka":"19.29474370268587","alogps_solubility":"8.31e+00 g/l","alogps_logp":"1.85","alogps_logs":"-1.32","acceptor_count":"2","donor_count":"2","rotatable_bond_count":"1","polar_surface_area":"40.46","refractivity":"49.37099999999999","polarizability":"20.246583829993437","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-0.692307529679422","pka_strongest_acidic":"18.926789728476702","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":["1-methyl-4-(1-methylethylidene)-1-cyclohexene","1-methyl-4-(1-methylethylidene)cyclohexene","1,4(8)-p-menthadiene","1,8-Terpin","4-(1-Hydroxy-1-methylethyl)-1-methylcyclohexanol","4-isopropylidene-1-methylcyclohexene","alpha-terpinolene","Cyclohexanemethanol, 4-hydroxy-.alpha.,.alpha.,4-trimethyl-","Dipenteneglycol","isoterpinene","p-Mentha-1,8-diol","p-Menthane-1,8-diol","Terpin (VAN)","Terpin hydrate","Terpin monohydrate","Terpin p-menthane-1,8-diol","Terpinolen","Terpinolene"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":17616208,"citation":"Loscos, N., Hernandez-Orte, P., Cacho, J., Ferreira, V. (2007). \"Release and formation of varietal aroma compounds during alcoholic fermentation from nonfloral grape odorless flavor precursors fractions.\" J Agric Food Chem 55:6674-6684."}],"proteins":[]}