MetaADEDB 2.0 @ LMMD
quercetin 3-O-glucuronide
(DUBCCGAQYVUYEU-ZUGPOPFOSA-N)
Structure
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 Formula:
C21H18O13
Molecular Weight:
478.360
Log P:
-0.4466
Hydrogen Bond Acceptor:
13
Hydrogen Bond Donor:
8
TPSA:
227.58
CAS Number(s):
22688-79-5
Synonym(s)
1.
quercetin 3-O-glucuronide
2.
quercetin 3-O-beta-D-glucuronide
3.
quercetin-3-O-beta-D-glucuronopyranoside
4.
quercetin-3-glucuronide
External Link(s)
MeSHC443401
PubChem Compound5274585
BindingDB50242280
ChEBI66395
CHEMBLCHEMBL520546
ZINC13515662
Adverse Drug Event(s)
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