CAS No. 65666-07-1

Silymarin Chemical Structure
Chemical Structure
Check the Silymarin product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.

Chemical Information

IUPAC Name 3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
CAS Number 65666-07-1
Molecular Formula

C25H22O10

Molecular Weight (MW) 482.44
SMILES COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O
InChIKey SEBFKMXJBCUCAI-UHFFFAOYSA-N

Ordering Information

Biological Activity

Silymarin is a polyphenolic flavonoid derived from milk thistle that functions as a potent antioxidant and free radical scavenger. It inhibits TNF-induced activation of the NF-kB and JNK signaling pathways, thereby suppressing oxidative stress and downstream inflammatory responses. Through these mechanisms, silymarin exerts marked hepatoprotective, anti-inflammatory, and cytoprotective effects in preclinical cell and tissue models. [1][2]

Solubility

Note: Technical data last updated: Sep 1, 2026.