Cichoriin

Category	SARS-CoV
CAS	531-58-8
Description	Aesculetin-7-O-D-Glucopyranoside is isolated from chicory.

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Synonyms	Cichoriin; Cichorioside; UNII-5T3VO03BTR; AC1L9C8T; 531-58-8; 7-(beta-D-Glucopyranosyloxy)-6-hydroxy-2H-1-benzopyran-2-one
IUPAC Name	6-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Molecular Weight	340.29
Molecular Formula	C15H16O9
Canonical SMILES	C1=CC(=O)OC2=CC(=C(C=C21)O)OC3C(C(C(C(O3)CO)O)O)O
InChI	InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-4-8-6(3-7(9)17)1-2-11(18)22-8/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1
InChIKey	WNBCMONIPIJTSB-TVKJYDDYSA-N
Melting Point	213-214°C
Purity	>99.00%
Solubility	In Vitro: DMSO : 100 mg/mL(293.88 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline Solubility: ≥ 2.5 mg/mL (7.35 mM); Clear solution 2.Add each solvent one by one:10% DMSO >> 90% (20%SBE-β-CDin saline) Solubility: ≥ 2.5 mg/mL (7.35 mM); Clear solution 3.Add each solvent one by one:10% DMSO >> 90%corn oil Solubility: ≥ 2.5 mg/mL (7.35 mM); Clear solution
Appearance	White to off-white (Solid)
Storage	4°C, sealed storage, away from moisture and light * In solvent : -80°C 6 months; -20°C 1 month (sealed storage, away from moisture and light)
Complexity	495
Exact Mass	340.07943208
PSA	149.82000
Target	SARS-CoV
XLogP3-AA	-0.6