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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1277324
Compound Name PEONIDIN
ChEMBL Synonyms Peonidin | Peonidin Chloride
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 ...
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Structural Alerts

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

Alternate Forms of Compound in ChEMBL


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

Wikipedia Peonidin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1277324

ChEBI 75314
IBM Patent System EB050F037D3B1C883417B76FCCF3687A
IBM Patents WO2010069311A1 US7118895 US4320009 US6953486 EP0929676B1 WO2008005549A2 EP1072265A1 WO2006127742A2 US20070148286 WO2006127754A3 US20090133151 US20050114923 US20080248089 EP2242561A2 USPP6378 EP1940389A2 WO2009061871A1 WO2006127741A2 US6232109 US20070033674 EP0522880B1 WO2007028231A1 WO2008017842A1 WO1999005319A2 US20060172012 EP2026813A2 US7052846 US20060280836 EP1915059A2 WO2010131049A2 WO2009074366A1 US20100221281 US20020100072 US20080069779 EP1318201A1 US6815212 US20070078083 EP2173186A1 US7077871 US20100281575 WO2006127601A2 WO2009007769A1 WO2008096040A1 WO2001014565A1 US20090181123 US20080167291 WO2010066687A2 US20030036640 WO2008036678A2 US20080160138 WO2009059218A1 EP2124631A1 WO2008030274A1 EP1919298A2 WO2001055263A1 US20050214756 WO2007061907A2 EP1329500A1 WO1996011692A1 EP1758603A1 US20090075908 EP1940384A1 EP2135512B1 WO2010069004A1 US20040131749 US6132791 US20100216734 EP1318201B1 WO2006127616A9 EP2247190A1 US20100236562 WO2007038421A2 US20050215493 EP2258357A2 EP0840804B1 WO2010066846A2 US20070269577 US20100162451 US20060216281 WO2004082646A1 WO2009065737A1 US5039536 WO2009024360A1 WO2006127602A3 EP1478753A1 US20080171708 US20080253976 US20070112017 WO2009080020A1 EP2229158A1 WO2008005548A2 US20080234362 US7261769 US20010000325 EP1336602A1 EP1998630A2 US20070208029 US20100306877 USPP6379 EP0850320B1
KEGG Ligand C08726
Nikkaji J238.584H
PubChem 441773
PubChem: Thomson Pharma 16704577
ZINC ZINC00897727

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