chelerythrine

Ligand id: 5953

Name: chelerythrine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 40.8
Molecular weight 348.12
XLogP 3.37
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{14,19}]henicosa-1(13),2,4(8),9,11,14,16,18,20-nonaen-21-ium
Synonyms
broussonpapyrine | cheleritrine | chelerythrine hydroxide | toddalin
Database Links
CAS Registry No. 34316-15-9
ChEBI CHEBI:78373
ChEMBL Ligand CHEMBL13045
GtoPdb PubChem SID 178102576
PubChem CID 2703
RCSB PDB Ligand CTI
Search Google for chemical match using the InChIKey LLEJIEBFSOEYIV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LLEJIEBFSOEYIV
Search UniChem for chemical match using the InChIKey LLEJIEBFSOEYIV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LLEJIEBFSOEYIV
Wikipedia Chelerythrine
Comments
Chelerythrine is a potent, selective, and cell-permeable protein kinase C inhibitor.