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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL506814
CHEMBL506814
Compound Name PUNICALAGIN
ChEMBL Synonyms Punicalagin
Max Phase 0
Trade Names
Molecular Formula C48H28O30

Additional synonyms for CHEMBL506814 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3c4c(O)c(O)c5OC(=O)c6 ...
Download SMILES
Standard InChI InChI=1S/C48H28O30/c49-10-1-6-17(31(59)27(10)55)19-23-21-22- ...
Download InChI
Standard InChI Key ZJVUMAFASBFUBG-RILGRMFESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL506814

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
1084.7 1084.0665 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL506814

Compound Cross References

ChemSpider ChemSpider:ZJVUMAFASBFUBG-RILGRMFESA-N
Wikipedia Punicalagin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL506814



BindingDB 50377922
Nikkaji J361.718A
PubChem 16148440
PubChem: Thomson Pharma 15897723

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