liquiritigenin

Synonyms: "liquiritigenin", "4',7-dihydroxyflavanone", "(S)-7-Hydroxy-2-(4-hydroxyphenyl)chroman-4-one", "(2S)-liquiritigenin", "5-deoxyflavone", "7-hydroxy-2-(4-hydroxy-phenyl)-chroman-4-one", "(2S)-7-Hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one", "(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one", "(2S)-2-(4-hydroxyphenyl)-7-oxidanyl-2,3-dihydrochromen-4-one".

Source: Liquiritigenin is a flavanone extracted from Glycyrrhizae.

Identifiers:

IUPAC Name: (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CAS Number: 578-86-9
PubChem ID: 114829
InChiKey: FURUXTVZLHCCNA-AWEZNQCLSA-N
Canonical SMILES: C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O

Structural Properties:

Molecular Formula: C₁₅H₁₂O₄
Molecular Weight: 256.257

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 4
Number of atoms different from hydrogen: 19

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Mersereau JE, Levy N, Staub RE, Baggett S, Zogovic T, Chow S, Ricke WA, Tagliaferri M, Cohen I, Bjeldanes LF, Leitman DC. 2008. Liquiritigenin is a plant-derived highly selective estrogen receptor beta agonist. Mol Cell Endocrinol 283(1-2):49-57. DOI: 10.1016/j.mce.2007.11.020. URL: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2277338/.