acompound

General Compound Information
BXGC Id	BXGC0004280
Compound Name	2,4-Pentanedione
Structure
Formula	C5H8O2
InchiKey	YRKCREAYFQTBPV-UHFFFAOYSA-N
SMILES	CC(=O)CC(C)=O
Inchi	InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
IUPAC	pentane-2,4-dione
Molecular Weight	100.12
Pubchem Id	31261
Chembl Id	CHEMBL191625

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

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
Q9LCQ7	BXGT021068	Oxidized polyvinyl alcohol hydrolase	reviewed	pvaB	-	-	-	-	-
P78055	BXGT011827	Fructose-6-phosphate aldolase 1	reviewed	fsaA	-	-	-	-	-

Binding DB

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	-	-	-

CHEMBL

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
P12337	BXGT007803	Liver carboxylesterase 1	reviewed	-		Ki	'>'	100000	nM
P15917	BXGT008169	Lethal factor	reviewed	-	lef	Inhibition	'='	5	%
P08253	BXGT006757	72 kDa type IV collagenase	reviewed	Enzyme	MMP2	Inhibition	'='	-5	%
P09917	BXGT006941	Arachidonate 5-lipoxygenase	reviewed	Enzyme	ALOX5	Inhibition	'='	42	%
P29477	BXGT009355	Nitric oxide synthase, inducible	reviewed	-	Nos2	Inhibition	'='	-6	%
P14780	BXGT008053	Matrix metalloproteinase-9	reviewed	Enzyme	MMP9	Inhibition	'='	-17	%
O00748	BXGT003942	Cocaine esterase	reviewed	Enzyme	CES2	Ki	'>'	100000	nM
P06276	BXGT006430	Cholinesterase	reviewed	-	BCHE	Ki	'>'	100000	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	Ki	'>'	100000	nM
P23141	BXGT008830	Liver carboxylesterase 1	reviewed	Enzyme	CES1	Ki	'>'	100000	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	77	%
P08254	BXGT006758	Stromelysin-1	reviewed	Enzyme	MMP3	Inhibition	'='	-4	%
P03956	BXGT006120	Interstitial collagenase	reviewed	Enzyme	MMP1	Inhibition	'='	10	%
P22894	BXGT008815	Neutrophil collagenase	reviewed	Enzyme	MMP8	Inhibition	'='	-6	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00041	Papaya	Carica papaya	Fruits
BXGF01185	Aloe vera	Aloe vera	Medicinal Plant
BXGF01222	Ocimum tenuiflorum	Ocimum tenuiflorum	Medicinal Plant
BXGF01374	Balanops australiana	Balanops australiana	Others
BXGF01900	Aloe ferox	Aloe ferox	Medicinal Plant
BXGF02505	Pinus sylvestris	Pinus sylvestris	Medicinal Plant
BXGF02802	Araiostegiella perdurans	Araiostegiella perdurans	Others
BXGF03476	Hylocomium splendens	Hylocomium splendens	Others
BXGF03763	Millettia laurentii	Millettia laurentii	Medicinal Plant
BXGF03765	Alcea rosea	Alcea rosea	Medicinal Plant
BXGF04349	Monodora tenuifolia	Monodora tenuifolia	Human Edible Plant
BXGF04631	Aloe spicata	Aloe spicata	Medicinal Plant
BXGF04896	Kokoona reflexa	Kokoona reflexa	Others
BXGF04926	Aloe africana	Aloe africana	Medicinal Plant
BXGF05083	Viguiera decurrens	Viguiera decurrens	Medicinal Plant
BXGF05145	Sideritis brevibracteata	Sideritis brevibracteata	Human Edible Plant
BXGF05184	Maesa ramentacea	Maesa ramentacea	Medicinal Plant
BXGF05242	Euphorbia cornigera	Euphorbia cornigera	Others
BXGF05368	Salvia yosgadensis	Salvia yosgadensis	Others
BXGF05428	Sideroxylon cubense	Sideroxylon cubense	Others
BXGF05654	Pinus strobus	Pinus strobus	Medicinal Plant
BXGF05730	Alpinia blepharocalyx	Alpinia blepharocalyx	Medicinal Plant
BXGF05764	Eucalyptus jenseni	Eucalyptus jenseni	Others
BXGF05869	Salacia lehmbachii	Salacia lehmbachii	Medicinal Plant
BXGF05954	Pluchea odorata	Pluchea odorata	Others
BXGF06033	Euonymus tingens	Euonymus tingens	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}