Phyto4Health

Myricetin-3-O-Beta-D-Glucuronide

Representations & DB's id

ChEBI: CHEBI:75807
ChEMBL: CHEMBL458470
PubChem: 5487413
IUPAC: (2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Standard InChI: InChI=1S/C21H18O14/c22-6-3-7(23)11-10(4-6)33-17(5-1-8(24)12(26)9(25)2-5)18(13(11)27)34-21-16(30)14(28)15(29)19(35-21)20(31)32/h1-4,14-16,19,21-26,28-30H,(H,31,32)/t14-,15-,16+,19-,21+/m0/s1
Standard InChI Key: MBWOCQLTCWTIJE-ZUGPOPFOSA-N
SMILES: Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)c1cc(O)c(c(c1)O)O

Molecular propeties

AlogP: -0.74
Hydrogen bonds acceptors: 13
Hydrogen bonds donors: 9
Rotatable bonds: 4
Number of rings: 4
Molecular Weight: 494.07
Topological polar surface area: 244
Number of aromatic rings: 3
Fsp3: 0.238
Number of carbons: 21

Plant sources

Part of plant Plant name Ref.
HerbaPolygonum aviculare

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.