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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL159303
CHEMBL159303
Compound Name EPIAFZELECHIN (2R,3R)(-)
ChEMBL Synonyms (-)-Epiafzelechin
Max Phase 0
Trade Names
Molecular Formula C15H14O5

Additional synonyms for CHEMBL159303 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)cc3
Standard InChI InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10 ...
Download InChI
Standard InChI Key RSYUFYQTACJFML-UKRRQHHQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL159303

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
274.3 274.0841 2.26 1 90.15 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 4 0 5 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.64 - 1.9 1.89 2 20 0.64

Structural Alerts

There are 1 structural alerts for CHEMBL159303. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RSYUFYQTACJFML-UKRRQHHQSA-N
Wikipedia Afzelechin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL159303



BindingDB 50240892
Brenda 34831 76111
ChEBI 31028
Human Metabolome Database HMDB30822
IBM Patent System 39B0C5D9C20EBC74DAE8018C20B88F4C
KEGG Ligand C12128
LINCS LSM-24974
LipidMaps LMPK12020036
Metabolights MTBLC31028
Nikkaji J18.806I
PubChem 443639
PubChem: Thomson Pharma 14750661
SureChEMBL SCHEMBL557061
ZINC ZINC000001721694

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