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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL437602
CHEMBL437602
Compound Name ORIPAVINE
ChEMBL Synonyms Oripavine
Max Phase 0
Trade Names
Molecular Formula C18H19NO3

Additional synonyms for CHEMBL437602 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC1=CC=C2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45
Standard InChI InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-1 ...
Download InChI
Standard InChI Key ZKLXUUYLEHCAMF-UUWFMWQGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL437602

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 1.88 1 41.93 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.28 7.48 -.86 -1.15 1 22 0.86

Structural Alerts

There are 1 structural alerts for CHEMBL437602. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZKLXUUYLEHCAMF-UUWFMWQGSA-N
Wikipedia Oripavine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL437602



ACToR 467-04-9
Brenda 9237
ChEBI 7782
eMolecules 36755540
EPA CompTox Dashboard DTXSID10196908
FDA SRS 575AOU51CR
IBM Patent System 1B52D7EFC03C425B9A10E59686B49033
KEGG Ligand C06175
Metabolights MTBLC7782
Nikkaji J12.064B
PubChem 5462306
PubChem: Thomson Pharma 14898242 85094286
SureChEMBL SCHEMBL37889

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