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
PharmGKB Drug PA448776
PubChem CID 1548943
Search Google for chemical match using the InChIKey YKPUWZUDDOIDPM-SOFGYWHQSA-N
Search Google for chemicals with the same backbone YKPUWZUDDOIDPM
Search PubMed clinical trials capsaicin
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Search PubMed titles/abstracts capsaicin
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.