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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL299031
CHEMBL299031
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H30N2O4

Additional synonyms for CHEMBL299031 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1\C(=C/OC) ...
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Standard InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21) ...
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Standard InChI Key LELBFTMXCIIKKX-QVRQZEMUSA-N

Structural Alerts

There are 7 structural alerts for CHEMBL299031. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL299031

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
398.5 398.2206 3.67 6 63.79 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.28 3.2 2.27 2 29 0.46

Compound Cross References

ChemSpider ChemSpider:LELBFTMXCIIKKX-QVRQZEMUSA-N
Wikipedia Mitragynine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL299031



FDA SRS EP479K822J
Human Metabolome Database HMDB41933
KEGG Ligand C09226
MolPort MolPort-023-299-129
Nikkaji J8.681I
PubChem 3034396
PubChem: Thomson Pharma 16926398
SureChEMBL SCHEMBL875799

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