2D Structure

3D Structure

Diallyl Trisulfide


Properties
PID PID00063
Mol. Weight 178.326 g/mol
LogP 3.36
Water solubility 0.000437 mol/L at 20 °C
Hydrogen Bond Donor 0
Hydrogen Bond Acceptor 3
Rotatable Bonds 6
XLogP3-AA 2.6

Diallyl Trisulfide

Identifiers
Formula C6H10S3
PubChem CID 16315
FEMA 3265
Flavor Profile Savory
Smiles C=CCSSSCC=C
InChl Key UBAXRAHSPKWNCX-UHFFFAOYSA-N
InChl InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-6H2
CAS Registry Number 2050-87-5, 8008-99-9
IUPAC Systematic Name 3-(prop-2-enyltrisulfanyl)prop-1-ene

Organ Location Map/System Distribution of Pungent Flavor Compounds’ Targets


Note: Known Targets (Gene) from 6952 literatures, DrugBank (http://www.drugbank.ca/), STITCH (http://stitch.embl.de/), ChEMBL (https://www.ebi.ac.uk/chembl/), Therapeutic Target Database (http://bidd.nus.edu.sg/group/ttd/), and Comparative Toxicogenomics Database (CTD, http://ctdbase.org/)


Related Pungent TCM

English Name Pinyin Name (Chinese Name) Latin Name Properties in TCM merdians View Graph
Allium sativumDa Suan(大蒜)GarlicWarm,PungentSpleen, Stomach, Kidney, LungView Graph
Allium macrostemonXie Bai(薤白)Longstamen Onion Equivalent plant: Allium chinenseWarm,Pungent,BitterLung,Spleen,LiverView Graph

Pharmacological action

Diallyl trisulfide (DATS), also known as Allitridin, is an organosulfur compound with the formula S(SCH2CH=CH2)2. It is one of several produced by the hydrolysis of allicin, including diallyl disulfide and diallyl tetrasulfide, DATS is one of the most poten.Diallyl trisulfide (DATS), the major compound in garlic oil, is obtained from freshly crushed garlic cloves. Diallyl trisulfide (DATS) is the principle component of garlic oil that possesses antioxidant properties.

Diallyl trisulfde (DTS) and diallyl disulfde (DDS) are the most abundant volatile sulfur-containing compounds in garlic oil. Diallyl trisulfide DATS) are volatile compounds produced when garlic bulb is cut and have been reported to inhibit carcinogenesis. Diallyl trisulfide (DATS), are characteristic flavor components of the essential oil prepared from garlic. Diallyl trisulfde (DATS), which is one of the major organosulfur compounds in garlic oil, has received considerable attention for its anti-cancer e?ects.



Note: Click anywhere in the blank, you can drag the whole dynamic diagram. Click on a node, you can drag his location to see it more clearly. The blue circle represents pharmacology, toxicology, or daily use. Orange hexagon represents the pungent compounds.

References

1. https://en.wikipedia.org/wiki/Diallyl_trisulfide

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