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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

Structural Alerts

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

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

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
ChEBI 42255
eMolecules 476865
FDA SRS 7Z197MG6QL
Human Metabolome Database HMDB38361
IBM Patent System EFD627BA97DBBA935D6342A8845D12BD
KEGG Ligand C12136
LINCS LSM-20967
Nikkaji J277.681B
PDBe EGT
PubChem 72277
PubChem: Drugs of the Future 50086908
PubChem: Thomson Pharma 14874045 16037106
SureChEMBL SCHEMBL19553
ZINC ZINC03870336

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