tagitinin A

Ligand id: 8701

Name: tagitinin A

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 102.29
Molecular weight 368.18
XLogP 1.22
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
Database Links
CAS Registry No. 59979-61-2
ChEMBL Ligand CHEMBL518700
GtoPdb PubChem SID 252166901
PubChem CID 181254
Search Google for chemical match using the InChIKey HREHFPZHVCNOMQ-XNNFIIJVSA-N
Search Google for chemicals with the same backbone HREHFPZHVCNOMQ
Search UniChem for chemical match using the InChIKey HREHFPZHVCNOMQ-XNNFIIJVSA-N
Search UniChem for chemicals with the same backbone HREHFPZHVCNOMQ
Comments
Tagitinin A 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. Concomitant activation of PPARα may improve dyslipidemia.