{"ymdb_id":"YMDB01711","created_at":"2011-08-31T03:38:38.000Z","updated_at":"2016-09-08T18:37:01.000Z","name":"Homovanillic acid","cas":null,"state":"Solid","melting_point":"138-140 oC","description":"Homovanillic acid is a major catecholamine metabolite.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":"0.33 [LAHANN,TR ET AL. (1989)]","location":null,"synthesis_reference":null,"chebi_id":"545959","hmdb_id":"HMDB00118","kegg_id":"C05582","pubchem_id":"1738","cs_id":"1675","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-(4-hydroxy-3-methoxyphenyl)acetic acid","traditional_iupac":"homovanillic acid","logp":"1.1497575179999997","pka":"9.948757939292548","alogps_solubility":"2.72e+00 g/l","alogps_logp":"1.02","alogps_logs":"-1.83","acceptor_count":"4","donor_count":"2","rotatable_bond_count":"3","polar_surface_area":"66.76","refractivity":"45.8097","polarizability":"17.738134603087865","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"-4.892538176084046","pka_strongest_acidic":"3.7448569898637887","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)acetate","(4-Hydroxy-3-methoxyphenyl)acetic acid","3-methoxy-4-hydroxy-phenylacetic acid","3-Methoxy-4-hydroxyphenylacetate","3-Methoxy-4-hydroxyphenylacetic acid","4-Hydroxy-3-methoxybenzeneacetate","4-Hydroxy-3-methoxybenzeneacetic acid","4-Hydroxy-3-methoxyphenylacetic acid","Acetic acid, (4-hydroxy-3-methoxyphenyl)-","Benzeneacetic acid, 4-hydroxy-3-methoxy-","HMPA","Homovanilate","Homovanilic acid","Homovanillate","Homovanillic acid","Homovanillinic acid","HVA","Vanilacetate","Vanilacetic acid","Vanillacetic Acid"],"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":[]}