tirotundin

Ligand id: 8700

Name: tirotundin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 82.06
Molecular weight 352.19
XLogP 2.25
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
Database Links
CAS Registry No. 56377-67-4 (source: PubChem)
ChEMBL Ligand CHEMBL464453
GtoPdb PubChem SID 252166900
PubChem CID 9975297
Search Google for chemical match using the InChIKey VKWNXJLVNFOOOS-QNIDSSLUSA-N
Search Google for chemicals with the same backbone VKWNXJLVNFOOOS
Search UniChem for chemical match using the InChIKey VKWNXJLVNFOOOS-QNIDSSLUSA-N
Search UniChem for chemicals with the same backbone VKWNXJLVNFOOOS
Comments
Tirotundin is a plant-derived sesquiterpene lactone isolated from Tithonia rotundifolia, which acts a dual activator of PPARα and PPARγ [1]. This is one of the active components found in Chinese traditional medicines used to treat diabetes and hepatitis. Activation of PPARγ is responsible for the compound's anti-diabetic effect. Tirotundin-induced activation of PPARα may improve dyslipidemia.