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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1277324
CHEMBL1277324
Compound Name PEONIDIN
ChEMBL Synonyms Peonidin Chloride | Peonidin
Max Phase 0
Trade Names
Molecular Formula C16H13O6

Additional synonyms for CHEMBL1277324 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(ccc1O)c2[o+]c3cc(O)cc(O)c3cc2O
Standard InChI InChI=1S/C16H12O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12 ...
Download InChI
Standard InChI Key XFDQJKDGGOEYPI-UHFFFAOYSA-O

Alternate Forms of Compound in ChEMBL


CHEMBL1277324

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
11.17 .24 .78 .78 3 22 0.54

Structural Alerts

There are 4 structural alerts for CHEMBL1277324. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XFDQJKDGGOEYPI-UHFFFAOYSA-O
Wikipedia Peonidin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1277324



ChEBI 75314
IBM Patent System EB050F037D3B1C883417B76FCCF3687A
KEGG Ligand C08726
LipidMaps LMPK12010006
Nikkaji J238.584H
PubChem 441773
PubChem: Thomson Pharma 16704577
SureChEMBL SCHEMBL20017
ZINC ZINC00897727

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