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Chemical structure of [8]-Shogaol

GC35013

[8]-Shogaol

Also known as 1-(4-hydroxy-3-methoxyphenyl)dodec-4-en-3-one

[8]-Shogaol, one of the pungent phenolic compounds in ginger, exhibits anti-platelet activity (IC50=5 μM) and inhibits COX-2 (IC50=17·5 μM)· [8]-Shogaol induces apoptosis in human leukemia cells

ChemicalCAS36700-45-5MW304.42FormulaC19H28O3
CAS number
36700-45-5
Molecular weight
304.42
Formula
C19H28O3
Solubility
DMSO： 125 mg/mL (410·62 mM)
InChIKey
LGZSMXJRMTYABD-UHFFFAOYSA-N
Catalogue number
GC35013
Brand
GLPBIO
Computed properties PubChem CID 181129 · XLogP 4.8 · TPSA 46.5 Ų · H-bond donors 1
XLogP
4.8
TPSA
46.5 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
11
Heavy atoms
22

SMILES CCCCCCCC=CC(=O)CCC1=CC(=C(C=C1)O)OC

Computed descriptors from PubChem (CID 181129), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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