Showing entry for trigonelline


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0020549
Compound Nametrigonelline
Structure
FormulaC7H7NO2.ClH
InchiKeyTZSYLWAXZMNUJB-UHFFFAOYSA-N
SMILESC[n+]1cccc(c1)C(=O)[O-].Cl
InchiInChI=1S/C7H7NO2.ClH/c1-8-4-2-3-6(5-8)7(9)10;/h2-5H,1H3;1H
IUPAC1-methylpyridin-1-ium-3-carboxylate;hydrochloride
Molecular Weight137.05
Pubchem Id134606
Chembl IdCHEMBL489961
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
CHEMBL CHEMBL489961
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
Q9WKE8 BXGT021921 Reverse transcriptase unreviewed - reverse IC50 '>' 200 ug.mL-1
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' -1 %
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 Inhibition '<' 30 %
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 100 nM
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' -5 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00141 Common pea Pisum sativum Pulses
BXGF00264 Alfalfa Medicago sativa Herbs and Spices
BXGF00292 Butternut squash Cucurbita moschata Gourds
BXGF00459 Wax gourd Benincasa hispida Gourds
BXGF01005 Dictamnus dasycarpus Dictamnus dasycarpus Medicinal Plant
BXGF01323 Pinellia pedatisecta Pinellia pedatisecta Medicinal Plant
BXGF01379 Astragalus sinicus Astragalus sinicus Medicinal Plant
BXGF02266 Mirabilis jalapa Mirabilis jalapa Medicinal Plant
BXGF02511 Citropsis articulata Citropsis articulata Human Edible Plant
BXGF02815 Pinellia ternata Pinellia ternata Medicinal Plant
BXGF03933 Achillea millefolium Achillea millefolium Medicinal Plant
BXGF04607 Morus alba Morus alba Medicinal Plant
BXGF04705 Abrus precatorius Abrus precatorius Medicinal Plant
BXGF05853 Cannabis sativa Cannabis sativa Medicinal Plant
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease