| ImmunCR Id : | ICR27 |
| Chemical Name : | Guggulsterone |
| Plant Source : | Commiphora mukul |
| Nutraceutical information : | --- |
| Mode of administration : | Oral, tablets |
| Immunomodulatory mechanism : | Used in treatment of cancer, obesity, hyperlipidemia, arthritis, acne, and neuroprotection. It inhibits lipopolysaccharide (LPS)-induced ICAM-1 expression, NF-κb activity, and iκb phosphorylation/degradation in intestinal epithelial cells. It reduced the severity of DSS-induced murine colitis by clinical disease activity score, colon length, and histology. In bone marrow-derived dendritic cells, guggulsterone derivative GG-52 inhibits TNF-α, IL-12p40 expression, iκbα degradation, and NF-κb activity, and ameliorates chronic colitis in IL-10−/− mice by suppressing Iκκ activation, signifying its potential value for the treatment of IBD. |
| Description : | Guggulsterone (4,17 (20)-pregnadiene-3,16-dione) a phytosteroid used as an antibiotic for the purpose of treating acne, pimples |
| IUPAC Name | (8R,9S,10R,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione |
| SMILES | CC=C1C(=O)CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C |
| Formula | C21H28O2 |
| InchiKey | WDXRGPWQVHZTQJ-UHFFFAOYSA-N |
| Kingdom | Organic compounds |
| Superclass | Lipids and lipid-like molecules |
| Class | Steroids and steroid derivatives |
| Subclass | Androstane steroids |
| LogP | 4.031 |
| Molecular weight | 312.446 |
| Hydrogen Bond Acceptor | 2 |
| Hydrogen Bond Donor | 0 |
| Polar surface area | 34.601 |
| No. of rotatable bonds | 0 |
| Number of Aromatic Rings | 0 |
| Number of rings | 4 |
| Absorption level | Good |
| Solubility level | Very Soluble |
| Blood Brain Barrier | High |
| Plasma protein binding | Binder |
| CYP2D6 inhibition | Non-Inhibitor |
