acompound

Showing entry for Acetone

General Compound Information
BXGC Id	BXGC0004278
Compound Name	Acetone
Structure
Formula	C3H6O
InchiKey	CSCPPACGZOOCGX-UHFFFAOYSA-N
SMILES	CC(C)=O
Inchi	InChI=1S/C3H6O/c1-3(2)4/h1-2H3
IUPAC	propan-2-one
Molecular Weight	58.08
Pubchem Id	180
Chembl Id	CHEMBL14253

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

ACN

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
P00782	BXGT005654	Subtilisin BPN'	reviewed	apr	-	-	-	-	-
P52705	BXGT010945	(S)-hydroxynitrile lyase	reviewed	HNL	-	-	-	-	-
P00800	BXGT005661	Thermolysin	reviewed	npr	-	-	-	-	-
P01308	BXGT005749	Insulin	reviewed	INS	-	-	-	-	-
P23360	BXGT008854	Endo-1,4-beta-xylanase	reviewed	XYNA	-	-	-	-	-
Q8GR64	BXGT018178	Quinohemoprotein alcohol dehydrogenase ADH IIB	reviewed	qbdA	-	-	-	-	-
P06622	BXGT006461	Metapyrocatechase	reviewed	xylE	-	-	-	-	-
O93734	BXGT005314	F420-dependent alcohol dehydrogenase	unreviewed	adf	-	-	-	-	-
P52704	BXGT010944	(S)-hydroxynitrile lyase	reviewed	HNL	-	-	-	-	-
Q9BS40	BXGT020121	Latexin	reviewed	LXN	-	-	-	-	-
Q56839	BXGT015101	2-oxopropyl-CoM reductase, carboxylating	reviewed	xecC	-	-	-	-	-
P00772	BXGT005648	Chymotrypsin-like elastase family member 1	reviewed	CELA1	-	-	-	-	-
P39045	BXGT010085	D-alanyl-D-alanine carboxypeptidase	reviewed	dac	-	-	-	-	-
P00730	BXGT005629	Carboxypeptidase A1	reviewed	CPA1	-	-	-	-	-
P07374	BXGT006615	Urease	reviewed		-	-	-	-	-
P13423	BXGT007907	Protective antigen	reviewed	pagA	-	-	-	-	-
Q9FQE8	BXGT020387	Glutathione S-transferase	unreviewed	547580	-	-	-	-	-
Q7MXK0	BXGT017047	Minor fimbrium tip subunit MfA4	reviewed	mfA4	-	-	-	-	-
P9WQ81	BXGT012494	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase	reviewed	bioA	-	-	-	-	-
Q7YS85	BXGT017230	Chitinase-3-like protein 1	reviewed	CHI3L1	-	-	-	-	-
P78417	BXGT011843	Glutathione S-transferase omega-1	reviewed	GSTO1	-	-	-	-	-

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

CHEMBL14253

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
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	33498	nM
P02545	BXGT005889	Prelamin-A/C	reviewed	-	LMNA	Potency	'='	100	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	2660	nM
B2GV46	BXGT001957	Free fatty acid receptor 3	reviewed	-	Ffar3	EC50	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00008	Garlic	Allium sativum	Herbs and Spices
BXGF00012	Pineapple	Ananas comosus	Fruits
BXGF00034	Broccoli	Brassica oleracea var. italica	Vegetables
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00040	Pepper (C. annuum)	Capsicum annuum	Vegetables
BXGF00070	Lemon grass	Cymbopogon citratus	Herbs and Spices
BXGF00072	Wild carrot	Daucus carota	Vegetables
BXGF00085	Soy bean	Glycine max	Soy
BXGF00097	Sweet bay	Laurus nobilis	Herbs and Spices
BXGF00105	Apple	Malus pumila	Fruits
BXGF00110	Orange mint	Mentha aquatica	Herbs and Spices
BXGF00112	Spearmint	Mentha spicata	Herbs and Spices
BXGF00125	Rice	Oryza sativa	Cereals and cereal products
BXGF00150	Guava	Psidium guajava	Fruits
BXGF00152	Pear	Pyrus communis	Fruits
BXGF00155	Blackcurrant	Ribes nigrum	Fruits
BXGF00173	Garden tomato (var.)	Solanum lycopersicum var. lycopersicum	Vegetables
BXGF00175	Potato	Solanum tuberosum	Vegetables
BXGF00206	Ginger	Zingiber officinale	Herbs and Spices
BXGF00230	Carrot	Daucus carota ssp. sativus	Vegetables
BXGF00265	Allspice	Pimenta dioica	Herbs and Spices
BXGF00803	Cabbage	Brassica oleracea var. capitata	Vegetables
BXGF00839	White cabbage	Brassica oleracea L. var. capitata L. f. alba DC.	Vegetables
BXGF00946	Artemisia montana	Artemisia montana	Medicinal Plant
BXGF01185	Aloe vera	Aloe vera	Medicinal Plant
BXGF01721	Humulus lupulus	Humulus lupulus	Medicinal Plant
BXGF01900	Aloe ferox	Aloe ferox	Medicinal Plant
BXGF03953	Artemisia princeps	Artemisia princeps	Medicinal Plant
BXGF04348	Sagittaria sagittifolia	Sagittaria sagittifolia	Medicinal Plant
BXGF04611	Artemisia argyi	Artemisia argyi	Medicinal Plant
BXGF04631	Aloe spicata	Aloe spicata	Medicinal Plant
BXGF04926	Aloe africana	Aloe africana	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}