Phyto4Health

Quercetin Glucuronide

Representations & DB's id

ChEBI: CHEBI:66395
ChEMBL: CHEMBL520546
PubChem: 5274585
IUPAC: (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Standard InChI: InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1
Standard InChI Key: DUBCCGAQYVUYEU-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)c1ccc(c(c1)O)O

Molecular propeties

AlogP: -0.45
Hydrogen bonds acceptors: 12
Hydrogen bonds donors: 8
Rotatable bonds: 4
Number of rings: 4
Molecular Weight: 478.07
Topological polar surface area: 224
Number of aromatic rings: 3
Fsp3: 0.238
Number of carbons: 21

Plant sources

Part of plant Plant name Ref.
PlantVitis vinifera
PlantPolygonum aviculare
HerbaHypericum perforatum
HerbaHypericum perforatum
PlantSesamum indicum
PlantArctium lappa
PlantAnethum graveolens
FructusFoeniculum vulgare
FructusFoeniculum vulgare
HerbaChelidonium majus

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.