Punicalagin

Category	Hepatitis B Virus (HBV)
CAS	65995-63-3
Description	Punicalagin is an ellagitannin, a type of phenolic compounds. It had a greater antifungal activity against T. rubrum. It has the potential to be developed as an alternative or supplemental agent for prevention of Salmonella infection. After being absorbed by the human body, punicalagin can be decomposed into ellagic acid under the action of human enzymes. It has excellent antioxidant properties and has been used as a food antioxidant. It is now mostly used in cosmetics.

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Synonyms	2,3-(S)-hexahydroxydiphenoyl-4,6-(S,S)-gallagyl-D-glucose
Molecular Weight	1084.7
Molecular Formula	C48H28O30
Canonical SMILES	C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C8C9=C7C(=O)OC2=C(C(=C(C3=C(C(=C(C=C3C(=O)O1)O)O)O)C(=C92)C(=O)O8)O)O)O)O)O)O)O
Purity	>98%
Density	2.1±0.1 g/cm3
Solubility	In vitro: 10 mM in DMSO
Appearance	Powder
Storage	4°C, protect from light * In solvent : -80°C, 6 months -20°C, 1 month (protect from light)
Complexity	2380
Exact Mass	1084.06653947
Index Of Refraction	1.893
In Vitro	Punicalagin (100 mg/ml) induces Apoptosis in HT-29, HCT116 colon cells. Punicalagin slightly inhibits the PLpro activity with an IC50 of over 50 μM. Punicalagin inhibits the plaque formation of SARS-CoV-2 in a dose-dependent manner, with EC50 values of 7.20 μM. Punicalagin binds at an allosteric site in the dimer interface. Punicalagin inhibit SARS-CoV-2 replication by a mechanism other than preventing S-mediated viral entry.
In Vivo	Punicalagin (100 mg/ml) induces Apoptosis in HT-29, HCT116 colon cells.
PSA	518.76000
Target	SARS-CoV; HBV
XLogP3-AA	1.7