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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL443463
CHEMBL443463
Compound Name
ChEMBL Synonyms Alpha-Viniferin | (+)-Alpha-Viniferin
Max Phase 0
Trade Names
Molecular Formula C42H30O9

Additional synonyms for CHEMBL443463 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(cc1)[C@@H]2Oc3cc(O)cc4[C@H]5[C@@H](Oc6cc(O)cc([C@@H]7 ...
Download SMILES
Standard InChI InChI=1S/C42H30O9/c43-22-7-1-19(2-8-22)40-37-28-13-25(46)17- ...
Download InChI
Standard InChI Key KUTVNHOAKHJJFL-ZSIJVUTGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL443463

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
678.7 678.189 7.61 3 149.07 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 6 3 9 6 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.06 - 2.45 2.44 6 51 0.11

Structural Alerts

There are 1 structural alerts for CHEMBL443463. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KUTVNHOAKHJJFL-ZSIJVUTGSA-N
Wikipedia Alpha-Viniferin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL443463



ACToR 62218-13-7
BindingDB 50362650
ChEBI 66359
EPA CompTox Dashboard DTXSID40211274
Metabolights MTBLC66359
Nikkaji J239.399I
PubChem 196402
PubChem: Thomson Pharma 14912941
SureChEMBL SCHEMBL2721238
ZINC ZINC000003935371

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