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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL61630
CHEMBL61630
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H30N2O5

Additional synonyms for CHEMBL61630 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@@H]1CN2CC[C@@]3(O)C(=Nc4cccc(OC)c34)[C@@H]2C[C@@H]1\C(= ...
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Standard InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(27)20-17(7-6-8-19( ...
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Standard InChI Key RYENLSMHLCNXJT-CYXFISRXSA-N

Structural Alerts

There are 7 structural alerts for CHEMBL61630. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL61630

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
414.5 414.2155 2.12 6 80.59 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.2 5.89 1.27 1.24 1 30 0.43

Compound Cross References

ChemSpider ChemSpider:RYENLSMHLCNXJT-CYXFISRXSA-N
Wikipedia 7-Hydroxymitragynine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL61630



FDA SRS 2T3TWA75R0
Nikkaji J670.660F
PubChem 44301524
SureChEMBL SCHEMBL11986821
ZINC ZINC13473311

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