497223-25-3 Purity
99.01%
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Specification
The PubChem CID of isoliquiritin is 5318591.
The molecular formula of isoliquiritin is C21H22O9.
The molecular weight of isoliquiritin is 418.4 g/mol.
Some synonyms of isoliquiritin are Isoliquiritin, Isoliquiritoside, and UNII-2Y348H1V4W.
The IUPAC name of isoliquiritin is (E)-1-(2,4-dihydroxyphenyl)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one.
The InChI of isoliquiritin is InChI=1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-5-1-11(2-6-13)3-8-15(24)14-7-4-12(23)9-16(14)25/h1-9,17-23,25-28H,10H2/b8-3+/t17-,18-,19+,20-,21-/m1/s1.
The InChIKey of isoliquiritin is YNWXJFQOCHMPCK-LXGDFETPSA-N.
The canonical SMILES of isoliquiritin is C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O.
The CAS number of isoliquiritin is 5041-81-6.
The ChEMBL ID of isoliquiritin is CHEMBL599763.