Liquiritigenin
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Molecular Identity
Liquiritigenin
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID: 114829
Liquiritigenin is a dihydroxyflavanone compound having the two hydroxy substituents at the 4'- and 7-positions. Isolated from the root of Glycyrrhizae uralensis, it is a selective agonist for oestrogen receptor beta. It has a role as a hormone agonist and a plant metabolite.
2D Structure
Properties
C15H12O4
Molecular Formula
256.25
Molecular Weight
g/mol
256.0736
Exact Mass
Da
2.2
XLogP
Drug-like (Lipinski: < 5)
66.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
335
Complexity
SMILES
Canonical SMILES
SMILES: C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)OIsomeric SMILES
SMILES: C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)OSynonyms(20)
Liquiritigenin578-86-9(2S)-liquiritigenin7,4'-Dihydroxyflavanone(-)-liquiritigenin(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-oneT194LKP9W6(2S)-7-Hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-oneCHEBI:28777DTXSID902064934H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-, (2S)-4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-, (S)-RefChem:41450DTXCID90128984(S)-7-Hydroxy-2-(4-hydroxyphenyl)chroman-4-one
Data from PubChem (NCBI)
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