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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL123325
CHEMBL123325
Compound Name RAUWOLFIA SERPENTINA
ChEMBL Synonyms Rauwolfia serpentina root
Max Phase 0
Trade Names
Molecular Formula C21H24N2O3

Additional synonyms for CHEMBL123325 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C ...
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Standard InChI InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)2 ...
Download InChI
Standard InChI Key GRTOGORTSDXSFK-XJTZBENFSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL123325

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
352.4 352.1787 3.18 1 54.56 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.27 2.52 1.6 2 26 0.8

Structural Alerts

There are 2 structural alerts for CHEMBL123325. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GRTOGORTSDXSFK-XJTZBENFSA-N
PubChem SID: 11112554 SID: 11112555
Wikipedia Ajmalicine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL123325



ACToR 4373-34-6
BindingDB 50030612
ChEBI 2524
ChemicalBook CB7129678
eMolecules 29549794 672997
FDA SRS 4QJL8OX71Z
Guide to Pharmacology 8746
KEGG Ligand C09024
LINCS LSM-15373
Mcule MCULE-2755269650
Metabolights MTBLC2524
MolPort MolPort-001-742-553
Nikkaji J13.108C
PDBe AJN
PubChem 441975
PubChem: Thomson Pharma 16925192 15373842
SureChEMBL SCHEMBL309914
ZINC ZINC000053147422

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