{"ymdb_id":"YMDB01760","created_at":"2011-08-31T03:42:54.000Z","updated_at":"2016-09-08T18:37:05.000Z","name":"Nerol","cas":"106-25-2","state":"Liquid","melting_point":"\u003c-15 oC","description":"Nerol (cis-geraniol) is a volatile compound responsible for floral or rose-like aromas in wines.","experimental_water_solubility":"0.531 mg/mL at 25 oC [MILLER,DJ \u0026 HAWTHORNE,SB (2000A)]","experimental_logp_hydrophobicity":"3.47 [GRIFFIN,S ET AL. (1999)]","location":null,"synthesis_reference":null,"chebi_id":"29452","hmdb_id":"HMDB05812","kegg_id":"C06111","pubchem_id":"3327","cs_id":"558917","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(2Z)-3,7-dimethylocta-2,6-dien-1-ol","traditional_iupac":"nerol","logp":"2.5023832959999996","pka":null,"alogps_solubility":"1.37e+00 g/l","alogps_logp":"2.89","alogps_logs":"-2.05","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"4","polar_surface_area":"20.23","refractivity":"51.1821","polarizability":"19.29002922323904","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-2.2170474067293595","pka_strongest_acidic":"16.330024218725743","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["(2E)3,7-dimethyl-2,6-Octadien-1-ol","(2Z)-3,7-Dimethyl-2,6-octadien-1-ol","(2Z)3,7-dimethyl-2,6-Octadien-1-ol","(cis)3,7-dimethyl-2,6-Octadien-1-ol","(E)3,7-dimethyl-2,6-Octadien-1-ol","(E)3,7-Dimethyl-Octadien-1-ol","(Z)-3,7-dimethyl-2,6-octadien-1-ol","(z)-geraniol","(Z)3,7-dimethyl-2,6-Octadien-1-ol","2-cis-3,7-Dimethyl-2,6-octadien-1-ol","2-trans-3,7-Dimethyl-2,6-octadien-1-ol","2-trans-3,7-dimethyl-2,6-octadiene-1-ol","2, 6-Octadien-1-ol, 3,7-dimethyl-,(Z)-","2,6-Dimethyl-2,6-octadien-8-ol","2,6-dimethyl-trans-2,6-octadien-8-ol","2,6-Octadien-1-ol, 3,7-dimethyl-, (E)-","2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)-","2E-geraniol","3,7-dimethyl-2,6-Octadien-1-ol","3,7-Dimethyl-Octane-1-ol tetrahydro derivative","3,7-Dimethyl-trans-2, 6-octadien-1-ol","3,7-dimethylocta-2,6-dien-1-ol","Beta-geraniol","cis-3,7-Dimethyl-2,6-octadien-1-ol","Cis-geraniol","Geraniol (natural)","Geraniol alcohol","Geranyl alcohol","Guaniol","Lemonol","Nerol","Nerol (cis-geraniol)","Nerol (natural)","Nerolidyl diphosphate","Neryl alcohol","NPP","trans-3,7-dimethyl-2,6-octadien-1-ol","Trans-geraniol","Vernol"],"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":[]}