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Chemical structure of Phenethyl ferulate

GC76737

Phenethyl ferulate

Also known as 2-phenylethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Phenethyl ferulate is a major constituent ofQianghuo, shows inhibitory activity against cyclooxygenase (COX) and 5-lipoxygenase (5-LOX) with IC50 values of 4·35 μM and 5·75 μM, respectively

ChemicalCAS71835-85-3MW298.33FormulaC18H18O4
CAS number
71835-85-3
Molecular weight
298.33
Formula
C18H18O4
Solubility
DMSO: 50 mg/mL (167·60 mM; Need ultrasonic)
InChIKey
CZQNYPBIOHVQQN-CSKARUKUSA-N
Catalogue number
GC76737
Brand
GLPBIO
Computed properties PubChem CID 5284444 · XLogP 3.8 · TPSA 55.8 Ų · H-bond donors 1
XLogP
3.8
TPSA
55.8 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
22

SMILES COC1=C(C=CC(=C1)/C=C/C(=O)OCCC2=CC=CC=C2)O

Computed descriptors from PubChem (CID 5284444), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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