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ChEMBL Statistics
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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

Structural Alerts

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

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

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
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