yohimbine

Ligand id: 102

Name: yohimbine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 65.56
Molecular weight 354.19
XLogP 2.86
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
Approved drug? Yes (source: FDA (no date available))
IUPAC Name
methyl (1S,15R,18S,19R,20S)-18-hydroxy-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate
Synonyms
Actibine®
corynine
quebrachin
yohimbin
Database Links
BitterDB Ligand 70
CAS Registry No. 146-48-5 (source: Scifinder)
ChEBI CHEBI:10093
ChEMBL Ligand CHEMBL15245
DrugBank Ligand DB01392
PharmGKB Drug PA451946
PubChem CID 8969
Search Google for chemical match using the InChIKey BLGXFZZNTVWLAY-SCYLSFHTSA-N
Search Google for chemicals with the same backbone BLGXFZZNTVWLAY
Wikipedia Yohimbine
Comments
Yohimbine exerts actions on many receptors of the dopamine, serotonin and adrenergic families, with highest activity as an antagonist of α2-adrenoceptors.