| ImmunCR Id : | ICR64 |
| Chemical Name : | Diosgenin |
| Plant Source : | Dioscorea batata, Trigonella species |
| Nutraceutical information : | --- |
| Mode of administration : | --- |
| Immunomodulatory mechanism : | Anti-cancer (activates p53, STAT3 signaling pathway, increases caspase-3, G1 phase cycle arrest |
| Description : | Diosgenin is a well known steroidal sapogenin whose origin is from the hydrolysis of the saponin dioscin. |
| IUPAC Name | (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol |
| SMILES | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1 |
| Formula | C27H42O3 |
| InchiKey | WQLVFSAGQJTQCK-VKROHFNGSA-N |
| Kingdom | Organic compounds |
| Superclass | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Triterpenoids |
| LogP | 4.633 |
| Molecular weight | 414.621 |
| Hydrogen Bond Acceptor | 3 |
| Hydrogen Bond Donor | 1 |
| Polar surface area | 38.675 |
| No. of rotatable bonds | 0 |
| Number of Aromatic Rings | 0 |
| Number of rings | 6 |
| Absorption level | Good |
| Solubility level | Very Soluble |
| Blood Brain Barrier | High |
| Plasma protein binding | Binder |
| CYP2D6 inhibition | Non-Inhibitor |
