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Ethyl (E) -ferulate

CAT: 0931-TN6422Size: 20 mgDry Ice: NoHazardous: No
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CAT#:0931-TN6422Size:20 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
28028-62-8
Target
AMPK, Nrf2
Related Pathways
Chromatin/Epigenetic, PI3K/Akt/mTOR signaling, Immunology/Inflammation
Bioactivity
Ethyl ferulate could be used for therapeutic purposes as a potent inducer of HO-1 for the protection of brain cells against oxidative and neurodegenerative conditions.
Smiles
C(=C/C(OCC)=O)\C1=CC(OC)=C(O)C=C1
Molecular Formula
C12H14O4
Molecular Weight
222.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ethyl Ferulate

ethyl ferulate has been reported in Coptis japonica, Solanum nigrum, and other organisms with data available.

CAS Number28028-62-8
PubChem CID736681
IUPAC Nameethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular FormulaC12H14O4
Molecular Weight222.24
XLogP2.2
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count16
Formal Charge0
Complexity249
SMILES
CCOC(=O)/C=C/C1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+
InChIKey
ATJVZXXHKSYELS-FNORWQNLSA-N
Chemical Structure
2D Structure
2D structure of Ethyl Ferulate
CAS: 28028-62-8
CID: 736681
Formula: C12H14O4
MW: 222.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.24
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass222.08920892
Monoisotopic Mass222.08920892
Topological Polar Surface Area55.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity249
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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