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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2332354
CHEMBL2332354
Compound Name CATALPOSIDE
ChEMBL Synonyms Catalposide
Max Phase 0
Trade Names
Molecular Formula C22H26O12

Additional synonyms for CHEMBL2332354 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](OC(=O)c4ccc(O)cc4)[C ...
Download SMILES
Standard InChI InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20 ...
Download InChI
Standard InChI Key UXSACQOOWZMGSE-RWORTQBESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2332354

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
482.4 482.1424 -2.02 6 187.9 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 6 2 12 6 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.03 - -2.29 -2.39 1 34 0.19

Structural Alerts

There are 9 structural alerts for CHEMBL2332354. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UXSACQOOWZMGSE-RWORTQBESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2332354



ACToR 6736-85-2
BindingDB 50429458
eMolecules 36000643
FDA SRS 7KD7K3964H
Mcule MCULE-1884414562
MolPort MolPort-019-936-970
Nikkaji J9.847G
PubChem 93039
PubChem: Thomson Pharma 14932560 17500055
SureChEMBL SCHEMBL419598
ZINC ZINC000008234299

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