| ImmunCR Id : | ICR135 |
| Chemical Name : | beta-Sitosterol |
| Plant Source : | Rice bran, wheat germ, peanuts, corn oils, and soybeans |
| Nutraceutical information : | --- |
| Mode of administration : | --- |
| Immunomodulatory mechanism : | --- |
| Description : | Beta-Sitosterol is a natural product found in Engelhardia spicata, Tetragonia tetragonoides, and other organisms with data available. |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| SMILES | CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C |
| Formula | C29H50O |
| InchiKey | KZJWDPNRJALLNS-VJSFXXLFSA-N |
| Kingdom | Organic compounds |
| Superclass | Lipids and lipid-like molecules |
| Class | Steroids and steroid derivatives |
| Subclass | Stigmastanes and derivatives |
| LogP | 8.084 |
| Molecular weight | 414.707 |
| Hydrogen Bond Acceptor | 1 |
| Hydrogen Bond Donor | 1 |
| Polar surface area | 20.815 |
| No. of rotatable bonds | 6 |
| Number of Aromatic Rings | 0 |
| Number of rings | 4 |
| Absorption level | Very low |
| Solubility level | Very Soluble |
| Blood Brain Barrier | Undefined |
| Plasma protein binding | Binder |
| CYP2D6 inhibition | Non-Inhibitor |
