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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL404515
CHEMBL404515
Compound Name CYANIDIN
ChEMBL Synonyms Cyanidin Chloride | Cyanidin
Max Phase 0
Trade Names
Molecular Formula C15H11O6

Additional synonyms for CHEMBL404515 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1cc(O)c2cc(O)c([o+]c2c1)c3ccc(O)c(O)c3
Standard InChI InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1 ...
Download InChI
Standard InChI Key VEVZSMAEJFVWIL-UHFFFAOYSA-O

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL404515

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
287.2 287.0556 3.04 1 112.45 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.99 - - - 3 21 0.35

Structural Alerts

There are 7 structural alerts for CHEMBL404515. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VEVZSMAEJFVWIL-UHFFFAOYSA-O
Wikipedia Cyanidin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL404515



ACToR 13306-05-3
Brenda 113230 1072
ChEBI 27843
EPA CompTox Dashboard DTXSID10157933
FDA SRS 7732ZHU564
IBM Patent System 3E2F04FA7518FE15E1276538FA0CCEB7
KEGG Ligand C05905
LipidMaps LMPK12010002
Metabolights MTBLC27843
Nikkaji J69.705B
NMRShiftDB 20051774
PubChem 128861
PubChem: Thomson Pharma 14897866
SureChEMBL SCHEMBL20799
ZINC ZINC000003775158

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