acompound

Showing entry for 2,3-Butanedione

General Compound Information
BXGC Id	BXGC0005697
Compound Name	2,3-Butanedione
Structure
Formula	C4H6O2
InchiKey	QSJXEFYPDANLFS-UHFFFAOYSA-N
SMILES	CC(=O)C(C)=O
Inchi	InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3
IUPAC	butane-2,3-dione
Molecular Weight	86.09
Pubchem Id	650
Chembl Id	CHEMBL365809

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

BUO

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
G5EGA6	BXGT003527	Dehydrogenase/reductase SDR family member 4	reviewed	dhrs-4	-	-	-	-	-

Binding DB

22725

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
reviewed	BXGT005640	Coagulation factor XII	reviewed	Enzyme	F12	>100000	-	-	-
reviewed	BXGT008830	Liver carboxylesterase 1	reviewed	Enzyme	CES1	>100000	-	-	-
reviewed	BXGT007803	Liver carboxylesterase 1	reviewed		-	>100000	-	-	-
reviewed	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	>100000	-	-	-
reviewed	BXGT006430	Cholinesterase	reviewed		BCHE	>100000	-	-	-
reviewed	BXGT003942	Cocaine esterase	reviewed	Enzyme	CES2	>100000	-	-	-

CHEMBL

CHEMBL365809

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
P16473	BXGT008234	Thyrotropin receptor	reviewed	G-protein coupled receptor	TSHR	Potency	'='	3981	nM
P0A6C1	BXGT007045	Endonuclease 4	reviewed	-	nfo	Potency	'='	4466	nM
P21687	BXGT008680	Lycopene beta-cyclase	reviewed	-	crtY	Activity	'='	90	%
P40225	BXGT010168	Thrombopoietin	reviewed	-	THPO	Potency	'='	10000	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	Ki	'>'	100000	nM
P06276	BXGT006430	Cholinesterase	reviewed	-	BCHE	Ki	'>'	100000	nM
P97697	BXGT012214	Inositol monophosphatase 1	reviewed	-	Impa1	Potency	'='	10	nM
O00748	BXGT003942	Cocaine esterase	reviewed	Enzyme	CES2	Ki	'>'	100000	nM
P08482	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed	-	Chrm1	Potency	'='	25	nM
Q96KQ7	BXGT019687	Histone-lysine N-methyltransferase EHMT2	reviewed	Epigenetic regulator	EHMT2	Potency	-	10000	nM
P16473	BXGT008234	Thyrotropin receptor	reviewed	G-protein coupled receptor	TSHR	Potency	'='	31622	nM
P12337	BXGT007803	Liver carboxylesterase 1	reviewed	-		Ki	'>'	100000	nM
P23141	BXGT008830	Liver carboxylesterase 1	reviewed	Enzyme	CES1	Ki	'>'	100000	nM
P15289	BXGT008102	Arylsulfatase A	reviewed	Enzyme	ARSA	Potency	-	151	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	59557	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	44668	nM
P16638	BXGT008250	ATP-citrate synthase	reviewed	-	Acly	Inhibition	'='	35	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00012	Pineapple	Ananas comosus	Fruits
BXGF00015	Wild celery	Apium graveolens	Herbs and Spices
BXGF00033	Kohlrabi	Brassica oleracea var. gongylodes	Vegetables
BXGF00041	Papaya	Carica papaya	Fruits
BXGF00043	Caraway	Carum carvi	Herbs and Spices
BXGF00070	Lemon grass	Cymbopogon citratus	Herbs and Spices
BXGF00079	Common buckwheat	Fagopyrum esculentum	Cereals and cereal products
BXGF00112	Spearmint	Mentha spicata	Herbs and Spices
BXGF00150	Guava	Psidium guajava	Fruits
BXGF00162	Red raspberry	Rubus idaeus	Fruits
BXGF00170	Sesame	Sesamum orientale	Herbs and Spices
BXGF00173	Garden tomato (var.)	Solanum lycopersicum var. lycopersicum	Vegetables
BXGF00182	Cocoa bean	Theobroma cacao	Cocoa and cocoa products
BXGF00194	Lingonberry	Vaccinium vitis-idaea	Fruits
BXGF00803	Cabbage	Brassica oleracea var. capitata	Vegetables
BXGF00806	Alcoholic beverages		Beverages
BXGF00808	Pomes		Fruits
BXGF00811	Citrus		Fruits
BXGF00812	Cocoa and cocoa products		Cocoa and cocoa products
BXGF00813	Coffee and coffee products		Coffee and coffee products
BXGF00815	Milk and milk products		Milk and milk products
BXGF00819	Pulses		Pulses
BXGF00820	Mollusks		Aquatic foods
BXGF00821	Nuts		Nuts
BXGF00823	Fruits		Fruits
BXGF00824	Green vegetables		Vegetables
BXGF00839	White cabbage	Brassica oleracea L. var. capitata L. f. alba DC.	Vegetables
BXGF00946	Artemisia montana	Artemisia montana	Medicinal Plant
BXGF01132	Gossypium herbaceum	Gossypium herbaceum	Medicinal Plant
BXGF01185	Aloe vera	Aloe vera	Medicinal Plant
BXGF01900	Aloe ferox	Aloe ferox	Medicinal Plant
BXGF03479	Bombax ceiba	Bombax ceiba	Medicinal Plant
BXGF03953	Artemisia princeps	Artemisia princeps	Medicinal Plant
BXGF04087	Erysimum odoratum	Erysimum odoratum	Others
BXGF04092	Heterotheca inuloides	Heterotheca inuloides	Medicinal Plant
BXGF04098	Delphinium andersoni	Delphinium andersoni	Others
BXGF04126	Vismia jefensis	Vismia jefensis	Others
BXGF04142	Angelica tarokoensis	Angelica tarokoensis	Others
BXGF04147	Swertia delavayi	Swertia delavayi	Others
BXGF04165	Epimedium davidii	Epimedium davidii	Medicinal Plant
BXGF04168	Globba malaccensis	Globba malaccensis	Medicinal Plant
BXGF04175	Diphasia angolensis	Diphasia angolensis	Others
BXGF04182	Knightia excelsa	Knightia excelsa	Medicinal Plant
BXGF04199	Isodon japonicus	Isodon japonicus	Medicinal Plant
BXGF04207	Solanum acaule	Solanum acaule	Others
BXGF04216	Frullania tamarisci	Frullania tamarisci	Others
BXGF04221	Alangium premnifolium	Alangium premnifolium	Others
BXGF04233	Saussurea carthamoides	Saussurea carthamoides	Others
BXGF04250	Galenia africana	Galenia africana	Medicinal Plant
BXGF04264	Micromeria pineolens	Micromeria pineolens	Others
BXGF04269	Gnidia lamprantha	Gnidia lamprantha	Medicinal Plant
BXGF04276	Ilex amara	Ilex amara	Others
BXGF04295	Leonurus glaucescens	Leonurus glaucescens	Medicinal Plant
BXGF04342	Salacia madagascariensis	Salacia madagascariensis	Human Edible Plant
BXGF04343	Maba buxifolia	Maba buxifolia	Medicinal Plant
BXGF04611	Artemisia argyi	Artemisia argyi	Medicinal Plant
BXGF04631	Aloe spicata	Aloe spicata	Medicinal Plant
BXGF04712	Prunus mume	Prunus mume	Medicinal Plant
BXGF04777	Quercus sessiliflora	Quercus sessiliflora	Others
BXGF04926	Aloe africana	Aloe africana	Medicinal Plant
BXGF05442	Zanthoxylum bungeanum	Zanthoxylum bungeanum	Medicinal Plant
BXGF05480	Lepidium draba	Lepidium draba	Medicinal Plant
BXGF06075	Zanthoxylum schinifolium	Zanthoxylum schinifolium	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}