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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL519266
CHEMBL519266
Compound Name RHYNCHOPHYLLINE
ChEMBL Synonyms Rhynchophylline
Max Phase 0
Trade Names
Molecular Formula C22H28N2O4

Additional synonyms for CHEMBL519266 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H]1CN2CC[C@@]3([C@@H]2C[C@@H]1\C(=C/OC)\C(=O)OC)C(=O)Nc ...
Download SMILES
Standard InChI InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)2 ...
Download InChI
Standard InChI Key DAXYUDFNWXHGBE-KAXDATADSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL519266

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
384.5 384.2049 2.1 5 67.87 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
13.61 8.49 1.63 .51 1 28 0.48

Structural Alerts

There are 7 structural alerts for CHEMBL519266. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DAXYUDFNWXHGBE-KAXDATADSA-N
Wikipedia Rhynchophylline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL519266



BindingDB 50251393
ChEBI 70069
FDA SRS 46BQ79VJ8D
KEGG Ligand C09236
Metabolights MTBLC70069
PubChem 5281408
PubChem: Thomson Pharma 15351316 24724878
SureChEMBL SCHEMBL2047380
ZINC ZINC000004097968

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