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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2332346
CHEMBL2332346
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H28O12

Additional synonyms for CHEMBL2332346 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](C[C@@](O)(CO)[C@@H] ...
Download SMILES
Standard InChI InChI=1S/C22H28O12/c23-8-14-16(26)17(27)18(28)21(33-14)34-20 ...
Download InChI
Standard InChI Key OTIAAGNDDJEMIJ-UKLNBOJVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2332346

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
484.5 484.1581 -2.04 6 195.6 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 7 2 12 7 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.1 - -1.84 -1.92 1 34 0.22

Structural Alerts

There are 2 structural alerts for CHEMBL2332346. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OTIAAGNDDJEMIJ-UKLNBOJVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2332346



BindingDB 50429454
Nikkaji J451.712A
PubChem 15127101
ZINC ZINC000095591518

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