capsaicin

Ligand id: 2486

Name: capsaicin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 58.56
Molecular weight 305.2
XLogP 4.23
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
Approved drug? Yes (source: FDA (2009))
IUPAC Name
N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide
International Nonproprietary Names
INN number INN
10145 capsaicin
Synonyms
Qutenza®
Database Links
BindingDB Ligand 20461
CAS Registry No. 404-86-4
ChEBI CHEBI:3374
ChEMBL Ligand CHEMBL294199
PubChem CID 1548943
RCSB PDB Ligand 4DY
Search Google for chemical match using the InChIKey YKPUWZUDDOIDPM-SOFGYWHQSA-N
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Search PubMed clinical trials capsaicin
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Search UniChem for chemical match using the InChIKey YKPUWZUDDOIDPM-SOFGYWHQSA-N
Search UniChem for chemicals with the same backbone YKPUWZUDDOIDPM
Wikipedia Capsaicin
Comments
Although capsaicin was approved by the US FDA in 2009, this compound was previously marketed so was not subject to a New Drug Application.