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Details

Stereochemistry ABSOLUTE
Molecular Formula C6H11NO3S
Molecular Weight 177.221
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALLIIN

SMILES

N[C@@H](C[S@@+]([O-])CC=C)C(O)=O

InChI

InChIKey=XUHLIQGRKRUKPH-DYEAUMGKSA-N
InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C6H11NO3S
Molecular Weight 177.221
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Alliin (S-allyl-l-cysteine sulfoxides, SACSO) is the major component of aged garlic extract, bearing broad-spectrum natural antioxidant properties. It was revealed, that alliin had an inhibitory effect in osteoclasteogenesis with a dose-dependent manner via blocking the c-Fos-NFATc1 signaling pathway and it could be a potential therapeutic agent for the treatment of osteoporosis. In addition, alliin ameliorates gut inflammation through MAPK-NF-κB/AP-1/STAT-1 inactivation and PPAR-γ activation.

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

PubMed

Sample Use Guides

In Vivo Use Guide
in colitis mice: dextran sulfate sodium (DSS)-induced and/or alliin (500 mg/kg) groups
Route of Administration: Oral
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
7I4L2D0E9G
Record Status Validated (UNII)
Record Version