Ligand id: 9028

Name: 3beta-Hydroxy-20(29)-lupene

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 20.23
Molecular weight 426.39
XLogP 11.9
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Lee C, Lee JW, Seo JY, Hwang SW, Im JP, Kim JS. (2016)
Lupeol inhibits LPS-induced NF-kappa B signaling in intestinal epithelial cells and macrophages, and attenuates acute and chronic murine colitis.
Life Sci., 146: 100-8. [PMID:26767626]
2. Zhu Y, Li X, Chen J, Chen T, Shi Z, Lei M, Zhang Y, Bai P, Li Y, Fei X. (2016)
The pentacyclic triterpene Lupeol switches M1 macrophages to M2 and ameliorates experimental inflammatory bowel disease.
Int. Immunopharmacol., 30: 74-84. [PMID:26655877]