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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1224875
CHEMBL1224875
Compound Name EPSILON-VINIFERIN
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H22O6

Additional synonyms for CHEMBL1224875 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(\C=C\c2cc(O)cc3O[C@H]([C@H](c4cc(O)cc(O)c4)c23)c5ccc( ...
Download SMILES
Standard InChI InChI=1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25 ...
Download InChI
Standard InChI Key FQWLMRXWKZGLFI-YVYUXZJTSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1224875

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
454.5 454.1416 5.63 4 110.38 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 5 1 6 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.26 - 3.8 3.79 4 34 0.26

Structural Alerts

There are 4 structural alerts for CHEMBL1224875. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FQWLMRXWKZGLFI-YVYUXZJTSA-N
Wikipedia Epsilon-Viniferin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1224875



ACToR 62218-08-0
ChEBI 10556
FDA SRS 0K8Z2K6Y7O
KEGG Ligand C10289
Metabolights MTBLC10556
Nikkaji J3.428.532B J957.611H
PubChem 5281728
PubChem: Thomson Pharma 85284913
SureChEMBL SCHEMBL3041632
ZINC ZINC000004098643

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