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Caffeic acid

CAT: 0804-HY-N0172-03Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-N0172-03Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Caffeic acid is an inhibitor of both TRPV1 ion channel and 5-Lipoxygenase (5-LO) .
CAS Number
331-39-5
UNSPSC
12352005
Hazard Statement
H351
Target
Endogenous Metabolite; Lipoxygenase; TRP Channel
Type
Natural Products
Related Pathways
Membrane Transporter/Ion Channel; Metabolic Enzyme/Protease; Neuronal Signaling
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology; Cancer
Assay Protocol
https://www.medchemexpress.com/Caffeic_acid.html
Purity
99.92
Solubility
DMSO : 100 mg/mL (ultrasonic) |H2O : < 0.1 mg/mL (ultrasonic)
Smiles
O=C(O)/C=C/C1=CC=C(O)C(O)=C1
Molecular Formula
C9H8O4
Molecular Weight
180.16
Precautions
H351
References & Citations
[1]Pradhananga S, et al. Caffeic acid exhibits anti-pruritic effects by inhibition of multiple itch transmission pathways in mice. Eur J Pharmacol. 2015 Sep 5;762:313-21.|[2]Liang G, et al. The protective effect of caffeic acid on global cerebral ischemia-reperfusion injury in rats. Behav Brain Funct. 2015 Apr 18;11:18.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
Launched
Isoform
5-LOX

Chemical Information

Caffeic Acid

Caffeic Acid can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC).

CAS Number331-39-5
PubChem CID689043
IUPAC Name(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
Molecular FormulaC9H8O4
Molecular Weight180.16
XLogP1.2
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity212
SMILES
C1=CC(=C(C=C1/C=C/C(=O)O)O)O
InChI
InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
InChIKey
QAIPRVGONGVQAS-DUXPYHPUSA-N
Chemical Structure
2D Structure
2D structure of Caffeic Acid
CAS: 331-39-5
CID: 689043
Formula: C9H8O4
MW: 180.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.16
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass180.04225873
Monoisotopic Mass180.04225873
Topological Polar Surface Area77.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity212
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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