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Chemical structure of Neoliquiritin

GC38572

Neoliquiritin

Also known as 2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one

Neoliquiritin is isolated from Glycyrrhiza uralensis with an anti-inflammatory activity

ChemicalCAS5088-75-5MW418.39FormulaC21H22O9
CAS number
5088-75-5
Molecular weight
418.39
Formula
C21H22O9
Solubility
DMSO ： 250 mg/mL (597·53 mM; ultrasonic and warming and heat to 60°C)
InChIKey
HJBUYKZTEBZNSH-UHFFFAOYSA-N
Catalogue number
GC38572
Brand
GLPBIO
Computed properties PubChem CID 13473703 · XLogP 0.4 · TPSA 146 Ų · H-bond donors 5
XLogP
0.4
TPSA
146 Ų
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
30

SMILES C1C(OC2=C(C1=O)C=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O

Computed descriptors from PubChem (CID 13473703), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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