ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL520546
CHEMBL520546
Compound Name QUERCETIN GLUCURONIDE
ChEMBL Synonyms Quercetin Glucuronide
Max Phase 0
Trade Names
Molecular Formula C21H18O13

Additional synonyms for CHEMBL520546 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@@H]1[C@@H](O)[C@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O ...
Download SMILES
Standard InChI InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23) ...
Download InChI
Standard InChI Key DUBCCGAQYVUYEU-ZUGPOPFOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL520546

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
478.4 478.0747 -0.17 4 223.66 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
13 8 2 13 8 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.76 - .62 -4.2 2 34 0.27

Structural Alerts

There are 7 structural alerts for CHEMBL520546. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DUBCCGAQYVUYEU-ZUGPOPFOSA-N
Wikipedia Miquelianin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL520546



ACToR 22688-79-5
Brenda 68802 68945 26753 151004
ChEBI 66395
eMolecules 36095543 6706885
FDA SRS RY36PD0CQ2
IBM Patent System EB8E78C9FB6EBB3E0AD8E4296CECD6CF
Mcule MCULE-3775654270
Metabolights MTBLC66395
MolPort MolPort-001-740-497
Nikkaji J94.530G
PubChem 5274585
PubChem: Thomson Pharma 14785529 14834652
SureChEMBL SCHEMBL578422
ZINC ZINC000013515662

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/DUBCCGAQYVUYEU-ZUGPOPFOSA-N spacer
spacer