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Chemical structure of Isomagnolone

GC60209

Isomagnolone

Also known as 1-[4-(2-hydroxy-5-prop-2-enylphenoxy)phenyl]propan-1-one

Isomagnolone is isolated from Illicium burmanicum and has anti-inflammatory activity

ChemicalCAS155709-41-4MW282.33FormulaC18H18O3
CAS number
155709-41-4
Molecular weight
282.33
Formula
C18H18O3
InChIKey
LVHHYWFCRQIOJG-UHFFFAOYSA-N
Catalogue number
GC60209
Brand
GLPBIO
Computed properties PubChem CID 9993913 · XLogP 4.3 · TPSA 46.5 Ų · H-bond donors 1
XLogP
4.3
TPSA
46.5 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
21

SMILES CCC(=O)C1=CC=C(C=C1)OC2=C(C=CC(=C2)CC=C)O

Computed descriptors from PubChem (CID 9993913), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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