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Chemical structure of Licochalcone D

GC36446

Licochalcone D

Also known as (E)-3-(3,4-dihydroxy-2-methoxyphenyl)-1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one

Licochalcone D, a flavonoid compound mainly existing in the root of Glycyrrhiza inflate, is a potent and orally active inhibitor of NF-kappaB (NF-κB) p65

ChemicalCAS144506-15-0MW354.4FormulaC21H22O5
CAS number
144506-15-0
Molecular weight
354.4
Formula
C21H22O5
Solubility
DMSO： 125 mg/mL (352·71 mM)
InChIKey
RETRVWFVEFCGOK-RMKNXTFCSA-N
Catalogue number
GC36446
Brand
GLPBIO
Computed properties PubChem CID 10473311 · XLogP 4.5 · TPSA 87 Ų · H-bond donors 3
XLogP
4.5
TPSA
87 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
26

SMILES CC(=CCC1=C(C=CC(=C1)C(=O)/C=C/C2=C(C(=C(C=C2)O)O)OC)O)C

Computed descriptors from PubChem (CID 10473311), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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