acompound

Showing entry for Ethyl acetate

General Compound Information
BXGC Id	BXGC0002400
Compound Name	Ethyl acetate
Structure
Formula	C4H8O2
InchiKey	XEKOWRVHYACXOJ-UHFFFAOYSA-N
SMILES	CCOC(C)=O
Inchi	InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
IUPAC	ethyl acetate
Molecular Weight	88.11
Pubchem Id	8857
Chembl Id	CHEMBL14152

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

EEE

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
P23141	BXGT008830	Liver carboxylesterase 1	reviewed	CES1	Enzyme	-	-	-	-
P0ADG4	BXGT007286	Inositol-1-monophosphatase	reviewed	suhB	-	-	-	-	-
P22862	BXGT008810	Arylesterase	reviewed		-	-	-	-	-
D3E4S5	BXGT002876	Methenyltetrahydromethanopterin cyclohydrolase	unreviewed	mch	-	-	-	-	-
P02185	BXGT005855	Myoglobin	reviewed	MB	-	-	-	-	-

Binding DB

50128823

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	BXGT006661	Cathepsin L1	reviewed	Enzyme	CTSL	-	>10000	-	-

CHEMBL

CHEMBL14152

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
P07711	BXGT006661	Cathepsin L1	reviewed	Enzyme	CTSL	IC50	'>'	10000	nM
P07858	BXGT006689	Cathepsin B	reviewed	Enzyme	CTSB	IC50	-	-	-
Q99714	BXGT019954	3-hydroxyacyl-CoA dehydrogenase type-2	reviewed	Enzyme	HSD17B10	Potency	'='	39810	nM
P43220	BXGT010367	Glucagon-like peptide 1 receptor	reviewed	G-protein coupled receptor	GLP1R	Potency	-	3548	nM
Q99714	BXGT019954	3-hydroxyacyl-CoA dehydrogenase type-2	reviewed	Enzyme	HSD17B10	Potency	'='	31622	nM
Q9R1A7	BXGT021413	Nuclear receptor subfamily 1 group I member 2	reviewed	-	Nr1i2	Potency	-	79432	nM
P02545	BXGT005889	Prelamin-A/C	reviewed	-	LMNA	Potency	'='	141	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	35481	nM
P25779	BXGT009067	Cruzipain	reviewed	-		Potency	'='	39810	nM
P07711	BXGT006661	Cathepsin L1	reviewed	Enzyme	CTSL	Inhibition	'='	10	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	-	-	-

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
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00040	Pepper (C. annuum)	Capsicum annuum	Vegetables
BXGF00041	Papaya	Carica papaya	Fruits
BXGF00042	Safflower	Carthamus tinctorius	Herbs and Spices
BXGF00057	Sweet orange	Citrus sinensis	Fruits
BXGF00064	Muskmelon	Cucumis melo	Gourds
BXGF00081	Fig	Ficus carica	Fruits
BXGF00086	Sunflower	Helianthus annuus	Herbs and Spices
BXGF00105	Apple	Malus pumila	Fruits
BXGF00121	Olive	Olea europaea	Vegetables
BXGF00149	Peach	Prunus persica	Fruits
BXGF00150	Guava	Psidium guajava	Fruits
BXGF00155	Blackcurrant	Ribes nigrum	Fruits
BXGF00162	Red raspberry	Rubus idaeus	Fruits
BXGF00194	Lingonberry	Vaccinium vitis-idaea	Fruits
BXGF00204	Common grape	Vitis vinifera	Fruits
BXGF00205	Corn	Zea mays	Cereals and cereal products
BXGF00206	Ginger	Zingiber officinale	Herbs and Spices
BXGF00806	Alcoholic beverages		Beverages
BXGF00810	Cereals and cereal products		Cereals and cereal products
BXGF00823	Fruits		Fruits
BXGF00825	Root vegetables		Vegetables
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
BXGF01081	Akebia trifoliata	Akebia trifoliata	Medicinal Plant
BXGF01140	Angelica gigas	Angelica gigas	Medicinal Plant
BXGF01185	Aloe vera	Aloe vera	Medicinal Plant
BXGF01426	Cornus officinalis	Cornus officinalis	Medicinal Plant
BXGF01900	Aloe ferox	Aloe ferox	Medicinal Plant
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF02425	Ephedra herba	Ephedra herba	Others
BXGF02526	Santalum album	Santalum album	Medicinal Plant
BXGF02927	Akebia quinata	Akebia quinata	Medicinal Plant
BXGF03479	Bombax ceiba	Bombax ceiba	Medicinal Plant
BXGF03888	Angelica dahurica	Angelica dahurica	Medicinal Plant
BXGF04087	Erysimum odoratum	Erysimum odoratum	Others
BXGF04092	Heterotheca inuloides	Heterotheca inuloides	Medicinal Plant
BXGF04098	Delphinium andersoni	Delphinium andersoni	Others
BXGF04109	Saussurea costus	Saussurea costus	Medicinal Plant
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
BXGF04631	Aloe spicata	Aloe spicata	Medicinal Plant
BXGF04777	Quercus sessiliflora	Quercus sessiliflora	Others
BXGF04842	Angelica acutiloba	Angelica acutiloba	Medicinal Plant
BXGF04909	Hippophae fructus	Hippophae fructus	Others
BXGF04926	Aloe africana	Aloe africana	Medicinal Plant
BXGF05462	Campsis flos	Campsis flos	Others
BXGF05480	Lepidium draba	Lepidium draba	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}