{"ymdb_id":"YMDB15978","created_at":"2016-08-03T23:50:10.000Z","updated_at":"2016-09-10T00:52:06.000Z","name":"Cubenol","cas":null,"state":null,"melting_point":null,"description":"Cubenol belongs to the family of Sesquiterpenes. 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":"4,7-dimethyl-1-(propan-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-4a-ol","traditional_iupac":"1-isopropyl-4,7-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-ol","logp":"3.6946274139999993","pka":null,"alogps_solubility":"6.38e-02 g/l","alogps_logp":"3.76","alogps_logs":"-3.54","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"1","polar_surface_area":"20.23","refractivity":"69.2765","polarizability":"27.82814103329142","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-0.20672885428184162","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":[]}