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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL47386
CHEMBL47386
Compound Name EPIGALLOCATECHIN
ChEMBL Synonyms (-)-Epigallocatechin | Epigallocatechin
Max Phase 0
Trade Names
Molecular Formula C15H14O7

Additional synonyms for CHEMBL47386 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c(O)c3
Standard InChI InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1- ...
Download InChI
Standard InChI Key XMOCLSLCDHWDHP-IUODEOHRSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL47386

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
306.3 306.074 1.78 1 130.61 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 6 1 7 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.02 - -.77 -.79 2 22 0.44

Structural Alerts

There are 7 structural alerts for CHEMBL47386. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XMOCLSLCDHWDHP-IUODEOHRSA-N
PubChem SID: 515468
Wikipedia Gallocatechol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL47386



ACToR 2545-09-7 970-74-1
BindingDB 50187665
Brenda 2229 2241 111988
ChEBI 42255
DrugBank DB03823
eMolecules 476865
FDA SRS 7Z197MG6QL
Human Metabolome Database HMDB0038361
IBM Patent System EFD627BA97DBBA935D6342A8845D12BD
KEGG Ligand C12136
LINCS LSM-20967
LipidMaps LMPK12020004
Metabolights MTBLC42255
MolPort MolPort-003-665-790
Nikkaji J277.681B
PDBe EGT
PubChem 72277
PubChem: Drugs of the Future 50086908
PubChem: Thomson Pharma 14874045 16037106
SureChEMBL SCHEMBL19553
ZINC ZINC000003870336

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