Cleistanthin B

Category	SARS-CoV
CAS	30021-77-3
Description	Cleistanthin B has a role as an antihypertensive agent. It is a member of cleistanthins, Cleistanthin B exhibits anti-SARS-CoV-2 effects in Vero cells.

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Synonyms	Diphyllin O-glucoside; Clei B
IUPAC Name	9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one
Molecular Weight	542.49
Molecular Formula	C27H26O12
Canonical SMILES	COC1=C(C=C2C(=C1)C(=C3C(=C2OC4C(C(C(C(O4)CO)O)O)O)COC3=O)C5=CC6=C(C=C5)OCO6)OC
InChI	InChI=1S/C27H26O12/c1-33-16-6-12-13(7-17(16)34-2)25(39-27-24(31)23(30)22(29)19(8-28)38-27)14-9-35-26(32)21(14)20(12)11-3-4-15-18(5-11)37-10-36-15/h3-7,19,22-24,27-31H,8-10H2,1-2H3/t19-,22-,23+,24-,27+/m1/s1
InChIKey	BJGIWVGXMRUMNA-WBYCZGBQSA-N
Purity	98%
Solubility	In vitro: 10 mM in DMSO
Appearance	Light yellow to yellow (Solid)
Storage	Store at 2-8°C
Complexity	874
Exact Mass	542.14242626
In Vitro	Cleistanthin B exhibits anti-SARS-CoV-2 effects in Vero cells with an EC50 of 6.51 μM. Cleistantin B is not cytotoxic to Vero cells at concentrations up to 100 μM.
In Vivo	Kleistincine B has antitumor activity against EAC and DAL tumor mice, but is not effective against solid tumors.
PSA	162.60000
Target	IC50: 6.51 µM (SARS-CoV-2)
XLogP3-AA	1.8