{"ymdb_id":"YMDB01772","created_at":"2011-08-31T03:43:55.000Z","updated_at":"2016-09-08T18:37:06.000Z","name":"Petunidin 3-O-(coumaroylglucoside)","cas":null,"state":null,"melting_point":null,"description":"Petunidin 3-O-(coumaroylglucoside) is an anthocyanin, which is a class of polyphenol. 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, which can have an influence on wine color. [PMID: 12822951]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":"24842405","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium","traditional_iupac":"2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium","logp":"3.5479999999999996","pka":"7.536981062755779","alogps_solubility":"4.25e-02 g/l","alogps_logp":"2.75","alogps_logs":"-4.19","acceptor_count":"12","donor_count":"8","rotatable_bond_count":"9","polar_surface_area":"228.96999999999997","refractivity":"164.26930000000002","polarizability":"60.86809510822319","formal_charge":"1","physiological_charge":"0","pka_strongest_basic":"-3.64911035489539","pka_strongest_acidic":"6.393929015361109","bioavailability":"0","number_of_rings":"5","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"1","synonyms":[],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}