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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL506247
CHEMBL506247
Compound Name TANNIC ACID
ChEMBL Synonyms E181 | TANNIC ACID
Max Phase 4 (Approved)
Trade Names
Molecular Formula C76H52O46

Additional synonyms for CHEMBL506247 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1cc(cc(O)c1O)C(=O)Oc2cc(cc(O)c2O)C(=O)OC[C@H]3O[C@@H](OC(= ...
Download SMILES
Standard InChI InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-4 ...
Download InChI
Standard InChI Key LRBQNJMCXXYXIU-PPKXGCFTSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • Gene Expression Atlas Compounds
  • Open TG-GATEs
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL506247

Molecule Features

CHEMBL506247 compound icon
Drug Type:Unknown Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Discontinued

Clinical Data

ClinicalTrials.gov TANNIC ACID
The Cochrane Collaboration TANNIC ACID

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
1701.2 1700.173 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL506247

Compound Cross References

ChemSpider ChemSpider:LRBQNJMCXXYXIU-PPKXGCFTSA-N
PubChem SID: 124896727 SID: 144204975 SID: 144210399 SID: 57260395
Wikipedia Tannic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL506247



ACToR 5424-20-4
Atlas tannic acid
BindingDB 60986 50442879
Brenda 1019
ChEBI 81066
eMolecules 712774
EPA CompTox Dashboard DTXSID2026076
Guide to Pharmacology 4319
IBM Patent System 648E9E284FEABBDE7A38DC7838F801A0
KEGG Ligand C17409
MolPort MolPort-006-116-866
Nikkaji J218.007C
PubChem 16129778
PubChem: Thomson Pharma 14890893
SureChEMBL SCHEMBL409692

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