ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL248095
CHEMBL248095
Compound Name SINOMENINE
ChEMBL Synonyms Sinomenine
Max Phase 0
Trade Names
Molecular Formula C19H23NO4

Additional synonyms for CHEMBL248095 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O
Standard InChI InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13( ...
Download InChI
Standard InChI Key INYYVPJSBIVGPH-QHRIQVFBSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL248095

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 1.67 2 59 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.84 .59 4.04 2.39 1 24 0.89

Structural Alerts

There are 5 structural alerts for CHEMBL248095. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:INYYVPJSBIVGPH-QHRIQVFBSA-N
Wikipedia Sinomenine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL248095



ACToR 115-53-7
BindingDB 50241298
ChEBI 9163
eMolecules 501331
FDA SRS 63LT81K70N
IBM Patent System 94C19DFBFEA8503D1673BB8391C52440
KEGG Ligand C09643
LINCS LSM-24940
Mcule MCULE-3726900481
MolPort MolPort-002-507-299
PubChem 5459308
Selleck Sinomenine(Cucoline)
SureChEMBL SCHEMBL363812

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