{"ymdb_id":"YMDB16070","created_at":"2016-08-03T23:52:43.000Z","updated_at":"2016-09-12T20:57:15.000Z","name":"Perilla alcohol","cas":null,"state":"Solid","melting_point":null,"description":"Perilla alcohol 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":"[4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol","traditional_iupac":"(-)-perillylalcohol","logp":"1.9390414949999997","pka":null,"alogps_solubility":"1.90e+00 g/l","alogps_logp":"2.50","alogps_logs":"-1.90","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"2","polar_surface_area":"20.23","refractivity":"48.254999999999995","polarizability":"18.186695411456675","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-1.986736242852114","pka_strongest_acidic":"16.85657008950134","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":[]}