Structure

Silymarin

CAS
65666-07-1
Catalog Number
ACM65666071
Category
Inhibitors
Molecular Weight
482.44
Molecular Formula
C25H22O10

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Specification

Description
Silymarin is an extract of the milk thistle (Silybum marianum). Silymarin is an effective SARS-CoV-2 main protease (Mpro) inhibitor. Silymarin can significantly reduce tumor cell proliferation, angiogenesis as well as insulin resistance. Silymarin has the chemopreventive effect on hepatocellular carcinoma (HCC). Silymarin has the potential for COVID-19 research.
Synonyms
MILK THISTLE;Silybum marianum;silybin or silybinin;MilkthistleP.E.exsemencardui;Milkthistleextract/Silymarin;Milkthistleseedextract,powder=Silymarin/Silybin;Silybummarianumextract,seed;Milkthistleseedextract,fluid=Silymarin/Silybin
Appearance
Solid
Storage
Powder-20°C, 3 years; In solvent-80°C. 6 months; -20°C, 1 month.
Safety Description
22-24/25
Shipping
Can be shipped at room temperature, where not in use may vary.
Source
PlantsLeguminosaeGlycine soyaPlantsLeguminosaeCyamopsis tetragonoloba (L.) Taub.PlantsCompositae
What is the molecular formula of silymarin?

The molecular formula of silymarin is C25H22O10.

What is the molecular weight of silymarin?

The molecular weight of silymarin is 482.4 g/mol.

What is the IUPAC name of silymarin?

The IUPAC name of silymarin is 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.

What are the synonyms of silymarin?

The synonyms of silymarin include SILYBIN, Legalon, Silliver, and more.

What is the CAS number of silymarin?

The CAS number of silymarin is 65666-07-1.

What is the InChI key of silymarin?

The InChI key of silymarin is SEBFKMXJBCUCAI-UHFFFAOYSA-N.

What is the canonical SMILES of silymarin?

The canonical SMILES of silymarin is 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.

What is the XLogP3-AA value of silymarin?

The XLogP3-AA value of silymarin is 2.4.

How many hydrogen bond donor counts does silymarin have?

Silymarin has 5 hydrogen bond donor counts.

How many rotatable bond counts does silymarin have?

Silymarin has 4 rotatable bond counts.

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