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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL496867
CHEMBL496867
Compound Name CHELIDONINE
ChEMBL Synonyms (+)-Chelidonine | Chelidonine
Max Phase 0
Trade Names
Molecular Formula C20H19NO5

Additional synonyms for CHEMBL496867 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1Cc2c3OCOc3ccc2[C@H]4[C@@H](O)Cc5cc6OCOc6cc5[C@@H]14
Standard InChI InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18- ...
Download InChI
Standard InChI Key GHKISGDRQRSCII-ZOCIIQOWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL496867

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
353.4 353.1263 2.33 0 60.39 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.3 2.9 2.85 2 26 0.78

Structural Alerts

There are no structural alerts for CHEMBL496867

Compound Cross References

ChemSpider ChemSpider:GHKISGDRQRSCII-ZOCIIQOWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL496867



ACToR 476-32-4
Brenda 174640
ChEBI 31389
ChemicalBook CB8347796
eMolecules 1935779
FDA SRS 8K7EK8446J
IBM Patent System DD989E5B36AC6B7D609F11C8336A82F1
KEGG Ligand C12242
LINCS LSM-2715
Mcule MCULE-9582795993
Metabolights MTBLC31389
MolPort MolPort-001-742-071
Nikkaji J5.974I
PubChem 197810
PubChem: Thomson Pharma 16807750 14876357
SureChEMBL SCHEMBL563820
ZINC ZINC000030727894

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