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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL483203
CHEMBL483203
Compound Name EUPALIN
ChEMBL Synonyms NSC-134057
Max Phase 0
Trade Names
Molecular Formula C23H24O11

Additional synonyms for CHEMBL483203 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc2OC(=C(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C(=O ...
Download SMILES
Standard InChI InChI=1S/C23H24O11/c1-9-15(25)18(28)19(29)23(32-9)34-22-17(2 ...
Download InChI
Standard InChI Key CXVSHWFUBVZVSW-YPNBZCAISA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL483203

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
476.4 476.1319 1.04 5 164.37 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 5 1 11 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.02 - 2.26 .86 2 34 0.42

Structural Alerts

There are 6 structural alerts for CHEMBL483203. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CXVSHWFUBVZVSW-YPNBZCAISA-N
Wikipedia Eupalin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL483203



ACToR 29617-75-2
PubChem 5458259
ZINC ZINC000033913321

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