Silymarin

Category	SARS-CoV
CAS	65666-07-1
Description	Silymarin is a flavonolignan, obtained from milk thistle (Silybum marianum) plant. It exhibits in vitro antiviral, antibacterial, antifungal activities and cytotoxicity.

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Synonyms	Apihepar; Darsil; Flavobion; Karsilin; Laragon
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
Molecular Weight	482.44
Molecular Formula	C25H22O10
Canonical 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
InChI	InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3
InChIKey	SEBFKMXJBCUCAI-UHFFFAOYSA-N
Boiling Point	>133°C (dec.)
Flash Point	274.5±26.4 °C
Purity	>80%
Density	1.5±0.1 g/cm3
Solubility	Soluble in Acetone (Slightly), DMSO (Slightly), Methanol (Very Slightly)
Appearance	Light Orange to Brown Solid
Storage	Store at -20°C
Complexity	750
Exact Mass	482.12129689
Index Of Refraction	1.684
In Vitro	Silymarin (0-120 µg/ml; 24 hours) inhibits AGS cell viability, the viability of AGS cells is 77.9% in the presence of 20 µg/ml silymarin, 71.5% at 40 µg/ml, 59.8% at 60 µg/ml, 44.5% at 80 µg/ml, 35.3% at 100 µg/ml and 33.9% at 120 µg/ml Silymarin (40-80 µg/ml; 24 hours) inhibits the migration of the AGS cells in a concentration-dependent manner. It inhibit migration of AGS cells 59.4% at 40 µg/ml and 21.7% at 80 µg/ml,respectively.
PSA	155.14000
Target	SARS-CoV
Vapor Pressure	0.0±2.9 mmHg at 25°C
XLogP3-AA	2.4