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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 ...
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Standard InChI InChI=1S/C42H30O9/c43-22-7-1-19(2-8-22)40-37-28-13-25(46)17- ...
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Standard InChI Key KUTVNHOAKHJJFL-ZSIJVUTGSA-N

Structural Alerts

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

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

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
Nikkaji J239.399I
PubChem 196402
PubChem: Thomson Pharma 14912941
SureChEMBL SCHEMBL2721238

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