{"ymdb_id":"YMDB01734","created_at":"2011-08-31T03:40:39.000Z","updated_at":"2016-09-08T18:37:03.000Z","name":"Malvidin 3-O-glucoside","cas":null,"state":null,"melting_point":null,"description":"Malvidin 3-O-glucoside is an anthocyanin, which is a class of polyphenol. Malvidin 3-O-glucoside is one of the main anthocyanins found in grape. Anthocyanins are plant pigments found in many red berries including grape and grape skin. The cell wall of S. cerevisiae is permeable to anthocyanins and as a consequence the anthocyanins can be retained by yeast during wine-making; this adsorption can have an influence on wine color. Anthocyanins can react with yeast metabolites to form pyranoanthocyanins, which are more stable pigments formed during wine ageing and are of great importance for the color of aged wines. [PMID: 12822951] [PMID: 17303275]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":"C12140","pubchem_id":"443652","cs_id":"24842419","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium","traditional_iupac":"5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium","logp":"0.16599999999999837","pka":"7.421262411832434","alogps_solubility":"3.70e-01 g/l","alogps_logp":"1.30","alogps_logs":"-3.16","acceptor_count":"12","donor_count":"7","rotatable_bond_count":"6","polar_surface_area":"191.67","refractivity":"127.20299999999996","polarizability":"48.10844909859729","formal_charge":"1","physiological_charge":"0","pka_strongest_basic":"-2.9810923799280262","pka_strongest_acidic":"6.3829279988198975","bioavailability":"0","number_of_rings":"4","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"1","synonyms":["Enin","Malvidin-3-glucoside"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}