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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL257627
CHEMBL257627
Compound Name CODEINONE
ChEMBL Synonyms Codeinone
Max Phase 0
Trade Names
Molecular Formula C18H19NO3

Additional synonyms for CHEMBL257627 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2C[C@@H]3[C@@H]4C=CC(=O)[C@@H]5Oc1c2[C@]45CCN3C
Standard InChI InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14( ...
Download InChI
Standard InChI Key XYYVYLMBEZUESM-CMKMFDCUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL257627

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
297.4 297.1365 1.92 1 38.76 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.1 2.57 1.79 1 22 0.79

Structural Alerts

There are 4 structural alerts for CHEMBL257627. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XYYVYLMBEZUESM-CMKMFDCUSA-N
Wikipedia Codeinone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL257627



ACToR 467-13-0
Brenda 7169
ChEBI 18399
eMolecules 10140823
EPA CompTox Dashboard DTXSID70196909
FDA SRS 22B5AW0ANN
IBM Patent System 2EC8DCB772E267C9FEEABD9567535999
KEGG Ligand C06171
Metabolights MTBLC18399
Nikkaji J11.325E
PubChem 5459910
PubChem: Thomson Pharma 16206535 15271289
SureChEMBL SCHEMBL100655
ZINC ZINC000004097036

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