| ImmunCR Id : | ICR91 |
| Chemical Name : | Diallyl sulphide (DAS) |
| Plant Source : | Allium species |
| Nutraceutical information : | Edible, Garlic |
| Mode of administration : | Oral |
| Immunomodulatory mechanism : | Anti-cancer (inhibits NAT (arylamine N-acetyltransferase)); Anti-inflammatory (downregulates IL-2, ifnγ, TNF-α, IL-6, IL-1α, IL-8, inhibits CYP2E1, regulates SOD, LPO, free radical generation) |
| Description : | DAS is an organo sulfur derived from allicin and is a lipophilic thioether, it attributes to the taste and smell of ginger. |
| IUPAC Name | 3-prop-2-enylsulfanylprop-1-ene |
| SMILES | C=CCSCC=C |
| Formula | C6H10S |
| InchiKey | UBJVUCKUDDKUJF-UHFFFAOYSA-N |
| Kingdom | Organic compounds |
| Superclass | Organosulfur compounds |
| Class | Allyl sulfur compounds |
| Subclass | --- |
| LogP | 2.028 |
| Molecular weight | 114.209 |
| Hydrogen Bond Acceptor | 1 |
| Hydrogen Bond Donor | 0 |
| Polar surface area | 0 |
| No. of rotatable bonds | 4 |
| Number of Aromatic Rings | 0 |
| Number of rings | 0 |
| Absorption level | Moderate |
| Solubility level | Very Soluble |
| Blood Brain Barrier | High |
| Plasma protein binding | Non-Binder |
| CYP2D6 inhibition | Non-Inhibitor |
