ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

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

Structural Alerts

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

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

Compound Cross References

ChemSpider ChemSpider:DAXYUDFNWXHGBE-KAXDATADSA-N
Wikipedia Rhynchophylline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL519266



BindinDB 50251393
FDA SRS 46BQ79VJ8D
KEGG Ligand C09236
PubChem 5281408
PubChem: Thomson Pharma 15351316 24724878
SureChEMBL SCHEMBL2047380

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