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Allicin

CAT: 0931-T3123-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T3123-03Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
539-86-6
Target
IL Receptor, p38 MAPK, IκB/IKK, Caspase, Antifection, ERK, ROS, TNF, Antibacterial, Antibiotic
Related Pathways
Microbiology/Virology, MAPK, NF-κB, Apoptosis, Immunology/Inflammation, Proteases/Proteasome
Purity
≥98%
Bioactivity
Allicin exerts antioxidant, bactericidal, anti-cancer, anti-inflammatory activities, it exerts an inhibitory immunomodulatory effect on intestinal epithelial cells. Allicin could significantly inhibit vascular smooth muscle cells' proliferation and migration induced by insulin, which may be related to the inhibition of the activation of ERK signal path. Allicin is beneficial in reducing blood cholesterol, triglycerides levels and systolic blood pressure in hypercholesterolemic rats, it may beneficially affect two risk factors for atherosclerosis-hyperlipidemia and hypertension.
Smiles
O=S(SCC=C)CC=C
Molecular Formula
C6H10OS2
Molecular Weight
162.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Allicin

Allicin is a sulfoxide and a botanical anti-fungal agent. It has a role as an antibacterial agent.

CAS Number539-86-6
PubChem CID65036
IUPAC Name3-prop-2-enylsulfinylsulfanylprop-1-ene
Molecular FormulaC6H10OS2
Molecular Weight162.3
XLogP1.3
Topological Polar Surface Area61.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count9
Formal Charge0
Complexity120
SMILES
C=CCSS(=O)CC=C
InChI
InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2
InChIKey
JDLKFOPOAOFWQN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Allicin
CAS: 539-86-6
CID: 65036
Formula: C6H10OS2
MW: 162.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.3
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass162.01730729
Monoisotopic Mass162.01730729
Topological Polar Surface Area61.6 Ų
Heavy Atom Count9
Formal Charge0
Complexity120
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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