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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL486626
CHEMBL486626
Compound Name SOPHORICOSIDE
ChEMBL Synonyms Sophoricoside
Max Phase 0
Trade Names
Molecular Formula C21H20O10

Additional synonyms for CHEMBL486626 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2)C3=COc4cc(O)cc(O)c4C3=O)[C@H](O)[ ...
Download SMILES
Standard InChI InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11 ...
Download InChI
Standard InChI Key ISQRJFLLIDGZEP-CMWLGVBASA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL486626

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
432.4 432.1056 0.05 4 170.05 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 6 1 10 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.45 - .46 -.82 3 31 0.33

Structural Alerts

There are 4 structural alerts for CHEMBL486626. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ISQRJFLLIDGZEP-CMWLGVBASA-N
PubChem SID: 26754421

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL486626



BindingDB 50242276
ChemicalBook CB7446261
eMolecules 1876469
FDA SRS J0407L5MGM
Mcule MCULE-6186688935
MolPort MolPort-000-680-352
Nikkaji J5.870J
PubChem 5321398
PubChem: Thomson Pharma 16077213
SureChEMBL SCHEMBL1156059
ZINC ZINC000004136964

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