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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL263094
CHEMBL263094
Compound Name CARMINIC ACID
ChEMBL Synonyms Carminic Acid | E120
Max Phase 0
Trade Names
Molecular Formula C22H20O13

Additional synonyms for CHEMBL263094 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1c(C(=O)O)c(O)cc2C(=O)c3c(O)c(O)c([C@@H]4O[C@H](CO)[C@@H]( ...
Download SMILES
Standard InChI InChI=1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11( ...
Download InChI
Standard InChI Key DGQLVPJVXFOQEV-JNVSTXMASA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL263094

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
492.4 492.0904 -0.44 3 242.5 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
13 9 2 13 9 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.62 - 1.53 -2.67 2 35 0.2

Structural Alerts

There are 14 structural alerts for CHEMBL263094. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DGQLVPJVXFOQEV-JNVSTXMASA-N
PubChem SID: 144204714 SID: 144209177 SID: 144210614 SID: 170466801 SID: 85149152
Wikipedia Carminic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL263094



ACToR 1343-78-8 1390-65-4
eMolecules 26750165
EPA CompTox Dashboard DTXSID9022817
FDA SRS CID8Z8N95N
IBM Patent System C88C286A066B4F723A1CF9F100961B8B
MolPort MolPort-006-823-907
Nikkaji J107.996D
PubChem 10255083
PubChem: Thomson Pharma 15258465
SureChEMBL SCHEMBL1808534
ZINC ZINC000028095922

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