Verbenalin

Category	SARS-CoV
CAS	548-37-8
Description	Cornin has protective potential against cerebral ischemia injury and its protective effects may be due to amelioration of cerebral mitochondrial function and its antioxidant property.

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Synonyms	cornin; methyl (1S,4aS,7S,7aR)-1-(beta-D-glucopyranosyloxy)-7-methyl-5-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate;
IUPAC Name	methyl (1S,4aS,7S,7aR)-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
Molecular Weight	388.37
Molecular Formula	C17H24O10
Canonical SMILES	CC1CC(=O)C2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O
InChI	InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3/t6-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1
Boiling Point	610.1±55.0 °C at 760 mmHg
Melting Point	180-182°C
Flash Point	219.4±25.0 °C
Purity	>98%
Density	1.5±0.1 g/cm3
Solubility	In vitro: 10 mM in DMSO
Appearance	Powder
Storage	Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month
Complexity	619
Exact Mass	388.13694696
Index Of Refraction	1.591
PSA	151.98000
Target	SARS-CoV
Vapor Pressure	0.0±4.0 mmHg at 25°C
XLogP3-AA	-1.5