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Trigonelline

CAT: 1568-C09217-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C09217-01Size:5 mg
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CAS Number
535-83-1
Synonyms
Trigenolline
SKU
C09217-5mg
Target
Phospholipase (e.g. PLA)
Applications
Metabolism
Smiles
C[N+]1=CC (=CC=C1) C ([O-]) =O
Molecular Formula
C7H7NO2
Additionnal Information
Trigonelline (Trigenolline) is a plant alkaloid and a major component of coffee and fenugreek with anti-degranulation, anti-diabetic, antioxidant, anti-inflammatory, and neuroprotective effects. Trigonelline inhibits FcεRI-mediated intracellular signaling pathways, such as phosphorylation of PLCγ1, PI3K, and Akt. Trigonelline (Trigenolline) also inhibits the microtubule formation in RBL-2H3 cells.
Storage Conditions
3 years -20°C powder

Chemical Information

Trigonelline

N-methylnicotinate is an iminium betaine that is the conjugate base of N-methylnicotinic acid, arising from deprotonation of the carboxy group. It has a role as a plant metabolite, a food component and a human urinary metabolite. It is an alkaloid and an iminium betaine. It is functionally related to a nicotinate. It is a conjugate base of a N-methylnicotinic acid.

CAS Number535-83-1
PubChem CID5570
IUPAC Name1-methylpyridin-1-ium-3-carboxylate
Molecular FormulaC7H7NO2
Molecular Weight137.14
XLogP1.2
Topological Polar Surface Area44
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity130
SMILES
C[N+]1=CC=CC(=C1)C(=O)[O-]
InChI
InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3
InChIKey
WWNNZCOKKKDOPX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trigonelline
CAS: 535-83-1
CID: 5570
Formula: C7H7NO2
MW: 137.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight137.14
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass137.047678466
Monoisotopic Mass137.047678466
Topological Polar Surface Area44 Ų
Heavy Atom Count10
Formal Charge0
Complexity130
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS576510Trigonelline
N2577-5.1Trigonelline Hydrochloride
A14825-5Trigonelline 5mg
MBS575574Trigonelline HCl
TRC-T794053-1GTrigonelline Chloride

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