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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL480477
CHEMBL480477
Compound Name GLABRIDIN
ChEMBL Synonyms Glabridin
Max Phase 0
Trade Names
Molecular Formula C20H20O4

Additional synonyms for CHEMBL480477 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)Oc2ccc3C[C@@H](COc3c2C=C1)c4ccc(O)cc4O
Standard InChI InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23- ...
Download InChI
Standard InChI Key LBQIJVLKGVZRIW-ZDUSSCGKSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL480477

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
324.4 324.1362 4 1 58.92 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.66 - 4.11 4.1 2 24 0.83

Structural Alerts

There are no structural alerts for CHEMBL480477

Compound Cross References

ChemSpider ChemSpider:LBQIJVLKGVZRIW-ZDUSSCGKSA-N
PubChem SID: 46501231
Wikipedia Glabridin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL480477



ACToR 59870-68-7
BindingDB 50441626
ChEBI 5369
eMolecules 31708499
EPA CompTox Dashboard DTXSID00208589
FDA SRS HOC5567T41
IBM Patent System B365AD2D27877FFBA1F3035FBDFD567A
KEGG Ligand C10421
LipidMaps LMPK12080012
MolPort MolPort-005-934-878
Nikkaji J649.087E
PDBe GBJ
PubChem 124052
PubChem: Thomson Pharma 17384191 14924075 14850697
SureChEMBL SCHEMBL114869
ZINC ZINC000004098719

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