{"ymdb_id":"YMDB01809","created_at":"2011-08-31T03:47:47.000Z","updated_at":"2016-09-08T18:37:09.000Z","name":"Zingerone","cas":"122-48-5","state":"Solid","melting_point":"40.5 oC","description":"Zingerone (vanillylacetone) is a key component of the pungency of ginger. It is responsible for spicy aromas in Shiraz wines.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":"C17497","pubchem_id":"13733135","cs_id":"28952","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"4-(4-hydroxy-3-methoxyphenyl)butan-2-one","traditional_iupac":"zingerone","logp":"1.9239517056666666","pka":"19.59152516614606","alogps_solubility":"5.67e-01 g/l","alogps_logp":"2.02","alogps_logs":"-2.53","acceptor_count":"3","donor_count":"1","rotatable_bond_count":"4","polar_surface_area":"46.53","refractivity":"53.96180000000001","polarizability":"20.94858198532754","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.8903376293669645","pka_strongest_acidic":"9.945876444592866","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":["(4-Hydroxy-3-methoxyphenyl)ethyl methyl ketone","[0]-Paradol","2-Butanone, 4-(4-hydroxy-3-methoxyphenyl)-","3-Methoxy-4-hydroxybenzylacetone","4-(4-Hydroxy-3-methoxyphenyl)-2-butanone","4-(4-hydroxy-3-methoxyphenyl)butan-2-one","4-Hydroxy-3-methoxybenzylacetone","4(4-Hydroxy-3-methoxyphenyl)-2-butanone","Gingerone","Vanillylacetone","Zingerone (vanillyl acetone)","zingerone [3-(4-hydroxy-3-methoxyphenyl)butan-2-one]","Zingiberone"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}