ajmalicine

Ligand id: 8746

Name: ajmalicine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 54.56
Molecular weight 352.18
XLogP 3.07
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
Approved drug? Yes
Synonyms
delta-yohimbine | raubasine | rauvasan | rauwolfia alkaloid
Database Links
CAS Registry No. 483-04-5
ChEMBL Ligand CHEMBL123325
PubChem CID 441975
RCSB PDB Ligand AJN
Search Google for chemical match using the InChIKey GRTOGORTSDXSFK-XJTZBENFSA-N
Search Google for chemicals with the same backbone GRTOGORTSDXSFK
Search UniChem for chemical match using the InChIKey GRTOGORTSDXSFK-XJTZBENFSA-N
Search UniChem for chemicals with the same backbone GRTOGORTSDXSFK
SynPHARM 82697 (in complex with CYP2D6)
Comments
An extract of the Rauwolfia serpentina plant (Indian snakeroot). Structurally related to yohimbine.