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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL464529
CHEMBL464529
Compound Name NUCIFERINE
ChEMBL Synonyms Nuciferine | nuciferine HCl
Max Phase 0
Trade Names
Molecular Formula C19H21NO2

Additional synonyms for CHEMBL464529 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc2CCN(C)[C@@H]3Cc4ccccc4c(c1OC)c23
Standard InChI InChI=1S/C19H21NO2/c1-20-9-8-13-11-16(21-2)19(22-3)18-14-7-5 ...
Download InChI
Standard InChI Key ORJVQPIHKOARKV-OAHLLOKOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL464529

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
295.4 295.1572 3.57 2 21.7 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.87 2.36 1.76 2 22 0.85

Structural Alerts

There are no structural alerts for CHEMBL464529

Compound Cross References

ChemSpider ChemSpider:ORJVQPIHKOARKV-OAHLLOKOSA-N
Wikipedia Nuciferine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL464529



ACToR 475-83-2
FDA SRS W26UEB90B7
MolPort MolPort-003-811-346
Nikkaji J12.070G
PubChem 10146
PubChem: Thomson Pharma 15468281
ZINC ZINC000000320698

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