acompound

Showing entry for Trigonelline

General Compound Information
BXGC Id	BXGC0001613
Compound Name	Trigonelline
Structure
Formula	C7H7NO2
InchiKey	WWNNZCOKKKDOPX-UHFFFAOYSA-N
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
IUPAC	1-methylpyridin-1-ium-3-carboxylate
Molecular Weight	137.14
Pubchem Id	5570
Chembl Id	CHEMBL350675

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

CHEMBL350675

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
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	111	%
P00811	BXGT005666	Beta-lactamase	reviewed	-	ampC	Potency	'='	5623	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	89125	nM
O97447	BXGT005436	Putative fructose-1,6-bisphosphate aldolase	unreviewed	-	ald	Potency	'='	35397	nM
O75604	BXGT005139	Ubiquitin carboxyl-terminal hydrolase 2	reviewed	Enzyme	USP2	Potency	'='	12589	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	98	%
O75874	BXGT005157	Isocitrate dehydrogenase [NADP] cytoplasmic	reviewed	-	IDH1	Potency	-	3662	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00006	Garden onion	Allium cepa	Vegetables
BXGF00022	Oat	Avena sativa	Cereals and cereal products
BXGF00040	Pepper (C. annuum)	Capsicum annuum	Vegetables
BXGF00047	Chickpea	Cicer arietinum	Pulses
BXGF00058	Coffee	Coffea	Coffee and coffee products
BXGF00059	Arabica coffee	Coffea arabica	Coffee and coffee products
BXGF00064	Muskmelon	Cucumis melo	Gourds
BXGF00082	Fennel	Foeniculum vulgare	Herbs and Spices
BXGF00085	Soy bean	Glycine max	Soy
BXGF00088	Barley	Hordeum vulgare	Cereals and cereal products
BXGF00125	Rice	Oryza sativa	Cereals and cereal products
BXGF00131	Parsley	Petroselinum crispum	Herbs and Spices
BXGF00134	Common bean	Phaseolus vulgaris	Pulses
BXGF00141	Common pea	Pisum sativum	Pulses
BXGF00171	Garden tomato	Solanum lycopersicum	Vegetables
BXGF00173	Garden tomato (var.)	Solanum lycopersicum var. lycopersicum	Vegetables
BXGF00174	Eggplant	Solanum melongena	Vegetables
BXGF00175	Potato	Solanum tuberosum	Vegetables
BXGF00182	Cocoa bean	Theobroma cacao	Cocoa and cocoa products
BXGF00186	Fenugreek	Trigonella foenum-graecum	Herbs and Spices
BXGF00187	Common wheat	Triticum aestivum	Cereals and cereal products
BXGF00202	Cowpea	Vigna unguiculata	Pulses
BXGF00205	Corn	Zea mays	Cereals and cereal products
BXGF00264	Alfalfa	Medicago sativa	Herbs and Spices
BXGF00292	Butternut squash	Cucurbita moschata	Gourds
BXGF00348	Hyacinth bean	Lablab purpureus	Pulses
BXGF00361	Lambsquarters	Chenopodium album	Vegetables
BXGF00369	Sacred lotus	Nelumbo nucifera	Vegetables
BXGF00370	White lupine	Lupinus albus	Pulses
BXGF00459	Wax gourd	Benincasa hispida	Gourds
BXGF00802	Soft-necked garlic	Allium sativum L. var. sativum	Herbs and Spices
BXGF00813	Coffee and coffee products		Coffee and coffee products
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00829	Green bell pepper	Capsicum annuum	Vegetables
BXGF00830	Yellow bell pepper	Capsicum annuum	Vegetables
BXGF00831	Orange bell pepper	Capsicum annuum	Vegetables
BXGF00832	Red bell pepper	Capsicum annuum	Vegetables
BXGF00834	Yellow wax bean	Phaseolus vulgaris	Pulses
BXGF00835	Green bean	Phaseolus vulgaris	Pulses
BXGF01005	Dictamnus dasycarpus	Dictamnus dasycarpus	Medicinal Plant
BXGF01067	Salta triflora	Salta triflora	Others
BXGF01323	Pinellia pedatisecta	Pinellia pedatisecta	Medicinal Plant
BXGF01379	Astragalus sinicus	Astragalus sinicus	Medicinal Plant
BXGF01579	Esenbeckia hartmanii	Esenbeckia hartmanii	Others
BXGF01762	Persea kusanoi	Persea kusanoi	Others
BXGF02266	Mirabilis jalapa	Mirabilis jalapa	Medicinal Plant
BXGF02511	Citropsis articulata	Citropsis articulata	Human Edible Plant
BXGF02815	Pinellia ternata	Pinellia ternata	Medicinal Plant
BXGF03199	Combretum indicum	Combretum indicum	Medicinal Plant
BXGF03267	Thalictrum simplex	Thalictrum simplex	Medicinal Plant
BXGF03500	Croton megistocarpus	Croton megistocarpus	Others
BXGF03933	Achillea millefolium	Achillea millefolium	Medicinal Plant
BXGF04528	Achillea moschata	Achillea moschata	Others
BXGF04607	Morus alba	Morus alba	Medicinal Plant
BXGF04705	Abrus precatorius	Abrus precatorius	Medicinal Plant
BXGF04890	Triglochin maritima	Triglochin maritima	Medicinal Plant
BXGF05111	Trifolium montanum	Trifolium montanum	Others
BXGF05258	Geranium sibiricum	Geranium sibiricum	Medicinal Plant
BXGF05301	Baphicacanthus cusia	Baphicacanthus cusia	Medicinal Plant
BXGF05303	Lagerstroemia indica	Lagerstroemia indica	Medicinal Plant
BXGF05463	Ageratina saltillensis	Ageratina saltillensis	Others
BXGF05797	Salvia polystachya	Salvia polystachya	Medicinal Plant
BXGF05853	Cannabis sativa	Cannabis sativa	Medicinal Plant
BXGF05878	Senecio isatideus	Senecio isatideus	Others
BXGF05939	Grewia villosa	Grewia villosa	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}