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COCONUT Compound

Liquiritigenin

CNP0412193.1 · C15H12O4 · View on COCONUT ↗

2D Structure

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Identifiers

NameLiquiritigenin
IUPAC Name(2~{S})-7-hydroxy-2-(4-hydroxyphenyl)chroman-4-one
COCONUT IDCNP0412193.1
CAS578-86-9
InChIKeyFURUXTVZLHCCNA-AWEZNQCLSA-N
InChIInChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1
SMILESO=C1C[C@@H](C2=CC=C(O)C=C2)OC2=CC(O)=CC=C12

Properties

Molecular FormulaC15H12O4
Molecular Weight256.26
Exact Mass256.07356
Log P (ALogP)2.80
TPSA66.76
H-Bond Donors / Acceptors2 / 4
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.82
NP-likeness1.37

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassFlavonoids
NP ClassFlavanones
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassFlavonoids
Chemical SubclassFlavans

Reported in GR-MAPs Plants

Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Glycyrrhiza glabra as “Glycyrrhiza glabra” in COCONUT

References (107)

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Showing 40 of 107. See all references on COCONUT.

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.