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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL255753
CHEMBL255753
Compound Name MALVIDIN
ChEMBL Synonyms Malvidin | Malvidin Chloride
Max Phase 0
Trade Names
Molecular Formula C17H15O7+

Additional synonyms for CHEMBL255753 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(cc(OC)c1O)c2[o+]c3cc(O)cc(O)c3cc2O
Standard InChI InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7 ...
Download InChI
Standard InChI Key KZMACGJDUUWFCH-UHFFFAOYSA-O

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL255753

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
331.3 331.0812 3.22 3 110.68 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 0 7 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.43 - - - 3 24 0.55

Structural Alerts

There are 4 structural alerts for CHEMBL255753. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KZMACGJDUUWFCH-UHFFFAOYSA-O
Wikipedia Malvidin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL255753



ACToR 10463-84-0
ChEBI 6674
EPA CompTox Dashboard DTXSID30146622
IBM Patent System 461C6499B527B90B1C309DFE538C46DE
KEGG Ligand C08716
LipidMaps LMPK12010004
Metabolights MTBLC6674
Nikkaji J69.707I
PubChem 159287
PubChem: Thomson Pharma 16705125
SureChEMBL SCHEMBL21739
ZINC ZINC000000897714

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