{"ymdb_id":"YMDB01602","created_at":"2011-08-31T03:26:49.000Z","updated_at":"2016-09-08T18:36:53.000Z","name":"3-Hydroxy-7,8-dihydro-beta-ionol","cas":null,"state":null,"melting_point":null,"description":"3-Hydroxy-7,8-dihydro-beta-ionol is a beta-ionol deraviative found in wine and produced during fermentation.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"519379","cs_id":"453033","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"4-(3-hydroxybut-1-yn-1-yl)-3,5,5-trimethylcyclohex-2-en-1-ol","traditional_iupac":"4-(3-hydroxybut-1-yn-1-yl)-3,5,5-trimethylcyclohex-2-en-1-ol","logp":"1.801773713333333","pka":"18.11775185554931","alogps_solubility":"1.46e-01 g/l","alogps_logp":"1.79","alogps_logs":"-3.15","acceptor_count":"2","donor_count":"2","rotatable_bond_count":"2","polar_surface_area":"40.46","refractivity":"62.8493","polarizability":"24.328511933939645","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-1.4350953383827312","pka_strongest_acidic":"14.353376770685422","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":[],"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":[]}