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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

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

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are no structural alerts for CHEMBL506247

Alternate Forms of Compound in ChEMBL


CHEMBL506247

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

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
ChEBI 81066
eMolecules 712774
EPA CompTox Dashboard DTXSID2026076
Guide to Pharmacology 4319
IBM Patent System 648E9E284FEABBDE7A38DC7838F801A0
KEGG Ligand C17409
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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