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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL401501
CHEMBL401501
Compound Name (R)-RETICULINE
ChEMBL Synonyms (R)-Reticuline
Max Phase 0
Trade Names
Molecular Formula C19H23NO4

Additional synonyms for CHEMBL401501 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(C[C@H]2N(C)CCc3cc(OC)c(O)cc23)cc1O
Standard InChI InChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15 ...
Download InChI
Standard InChI Key BHLYRWXGMIUIHG-OAHLLOKOSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL401501

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
329.4 329.1627 3.39 4 62.16 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.95 7.97 .99 .36 2 24 0.9

Structural Alerts

There are no structural alerts for CHEMBL401501

Compound Cross References

ChemSpider ChemSpider:BHLYRWXGMIUIHG-OAHLLOKOSA-N
Wikipedia Reticuline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL401501



ACToR 3968-19-2
Brenda 5080
ChEBI 17428
eMolecules 5749219
EPA CompTox Dashboard DTXSID80331501
IBM Patent System 4703546BB40B0D2BF225083A0A7BF34F
KEGG Ligand C05178
Metabolights MTBLC17428
MolPort MolPort-042-682-691
Nikkaji J471.974C
PubChem 440586
PubChem: Thomson Pharma 126518730
SureChEMBL SCHEMBL9587509
ZINC ZINC000000901258

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