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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3233512
CHEMBL3233512
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H16O10

Additional synonyms for CHEMBL3233512 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@@H]1C[C@](O)(C[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1O)C( ...
Download SMILES
Standard InChI InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14( ...
Download InChI
Standard InChI Key LDPLFHGGZNSKDS-FTBFGRRBSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3233512

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
344.3 344.0743 -1.34 3 184.98 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 7 1 10 7 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.87 - -.68 -4.4 1 24 0.26

Structural Alerts

There are 6 structural alerts for CHEMBL3233512. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LDPLFHGGZNSKDS-FTBFGRRBSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3233512



ACToR 17365-11-6
ChEBI 9522
EPA CompTox Dashboard DTXSID60332031
IBM Patent System AF5B2D470674BBAA64C0C95FBCC00A2B
KEGG Ligand C10834
MolPort MolPort-039-338-514
Nikkaji J93.943I
PubChem 442988
PubChem: Thomson Pharma 26695721
ZINC ZINC000004098881

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