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Chemical structure of Isoeugenol acetate

GC36334

Isoeugenol acetate

Also known as (2-methoxy-4-prop-1-enylphenyl) acetate

Isoeugenol acetate (Acetyl isoeugenol), an essential oil constituent of nutmeg, clove, and cinnamon, shows excellent inhibitory effects against some metabolic enzymes such as acetylcholinesterase (AChE) enzymes (IC50=77 nM; Ki=16 nM), α-glycosidase (IC50=19·25 nM; Ki=21 nM), and α-amylase (IC50=411·5 nM)

ChemicalCAS93-29-8MW206.24FormulaC12H14O3
CAS number
93-29-8
Molecular weight
206.24
Formula
C12H14O3
Solubility
DMSO : 100 mg/mL (484·87 mM; Need ultrasonic)
InChIKey
IUSBVFZKQJGVEP-UHFFFAOYSA-N
Catalogue number
GC36334
Brand
GLPBIO
Computed properties PubChem CID 7137 · XLogP 2.4 · TPSA 35.5 Ų · H-bond donors 0
XLogP
2.4
TPSA
35.5 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
15

SMILES CC=CC1=CC(=C(C=C1)OC(=O)C)OC

Computed descriptors from PubChem (CID 7137), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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