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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL589665
CHEMBL589665
Compound Name PEONIDIN CHLORIDE
ChEMBL Synonyms Peonidin Chloride
Max Phase 0
Trade Names
Molecular Formula C16H13ClO6

Additional synonyms for CHEMBL589665 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Cl-].COc1cc(ccc1O)c2[o+]c3cc(O)cc(O)c3cc2O
Standard InChI InChI=1S/C16H12O6.ClH/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-1 ...
Download InChI
Standard InChI Key OGBSHLKSHNAPEW-UHFFFAOYSA-N

Structural Alerts

There are 4 structural alerts for CHEMBL589665. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL589665

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
301.3 301.0712 3.26 2 101.45 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 4 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.42 - - - 3 22 0.54

Compound Cross References

ChemSpider ChemSpider:OGBSHLKSHNAPEW-UHFFFAOYSA-N
Wikipedia Peonidin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL589665



ACToR 134-01-0
ChEBI 75033
eMolecules 517215
FDA SRS D0O766G47B
Human Metabolome Database HMDB05797
PubChem 164544
PubChem: Thomson Pharma 14802182
Selleck peonidin-chloride
SureChEMBL SCHEMBL20016

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