| ImmunCR Id : | ICR89 |
| Chemical Name : | Diallyl trisulphide (DATS) |
| Plant Source : | Allium species |
| Nutraceutical information : | Edible, leek, garlic |
| Mode of administration : | Oral |
| Immunomodulatory mechanism : | Anti-inflammatory (inhibits TNF-α, IL-6, NF-kb IL-β, downregulates COX-2, activates Nrf2 anti-oxidant response element pathway); Antioxidant (upregulates cystathionine γ-lyase, cystathionine β-synthase expression, H2S, downregulates ROS); Hepatoprotective (downregulates TGF1β, PDGF-β, EGF receptors); Cardioprotective (releases H2S, upregulates NO); Anti-cancer (activates CHOP/GADD153, GRP78/Bip, upregulates ATF4, elf2, downregulates MMP2/9, Trx-1, Bcl-xl, Bcl2, cyclin D1, VEGF, inhibits NF-kb, ERK/MAPK signaling pathway, supresses Wnt/β-catenin pathway) |
| Description : | DATS is an allyl sulfur oil soluble compound found in cooked garlic and derived from Allicin. |
| IUPAC Name | 3-(prop-2-enyltrisulfanyl)prop-1-ene |
| SMILES | C=CCSSSCC=C |
| Formula | C6H10S3 |
| InchiKey | UBAXRAHSPKWNCX-UHFFFAOYSA-N |
| Kingdom | Organic compounds |
| Superclass | Organosulfur compounds |
| Class | Organic trisulfides |
| Subclass | --- |
| LogP | 3.21 |
| Molecular weight | 178.339 |
| Hydrogen Bond Acceptor | 3 |
| Hydrogen Bond Donor | 0 |
| Polar surface area | 0 |
| No. of rotatable bonds | 6 |
| Number of Aromatic Rings | 0 |
| Number of rings | 0 |
| Absorption level | Good |
| Solubility level | Very Soluble |
| Blood Brain Barrier | Very High |
| Plasma protein binding | Non-Binder |
| CYP2D6 inhibition | Non-Inhibitor |
