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(E) -3,4-Dimethoxycinnamic acid

CAT: 0931-T37882-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T37882-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14737-89-4
Target
Reactive Oxygen Species
Related Pathways
NF-κB, Immunology/Inflammation, Metabolism
Purity
0.9998
Bioactivity
(E) -3,4-Dimethoxycinnamic acid is a less active isomer of 3,4-dimethoxycinnamic acid, a natural monomer from Securidaca inappendiculata Hassk. It exerts anti-apoptotic effects in L-02 cells via ROS-mediated signaling, showing potential in research related to inflammation and immunology.
Smiles
O(C)C1=C(OC)C=CC(/C=C/C(O)=O)=C1
Molecular Formula
C11H12O4
Molecular Weight
208.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3,4-Dimethoxycinnamic acid

3,4-dimethoxycinnamic acid is a methoxycinnamic acid that is trans-cinnamic acid substituted by methoxy groups at positions 3' and 4' respectively. It is functionally related to a trans-cinnamic acid. It is a conjugate acid of a 3,4-dimethoxy-(E)-cinnamate.

CAS Number14737-89-4
PubChem CID717531
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
Molecular FormulaC11H12O4
Molecular Weight208.21
XLogP1.8
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity237
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)O)OC
InChI
InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4+
InChIKey
HJBWJAPEBGSQPR-GQCTYLIASA-N
Chemical Structure
2D Structure
2D structure of 3,4-Dimethoxycinnamic acid
CAS: 14737-89-4
CID: 717531
Formula: C11H12O4
MW: 208.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.21
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass208.07355886
Monoisotopic Mass208.07355886
Topological Polar Surface Area55.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity237
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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