acompound

Showing entry for Benzyl acetate

General Compound Information
BXGC Id	BXGC0002490
Compound Name	Benzyl acetate
Structure
Formula	C9H10O2
InchiKey	QUKGYYKBILRGFE-UHFFFAOYSA-N
SMILES	CC(=O)OCC1=CC=CC=C1
Inchi	InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
IUPAC	benzyl acetate
Molecular Weight	150.17
Pubchem Id	8785
Chembl Id	CHEMBL1233714

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

J0Z

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
P00720	BXGT005625	Endolysin	reviewed	E	-	-	-	350000	-

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

CHEMBL1233714

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
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Potency	-	50118	nM
Q03181	BXGT012701	Peroxisome proliferator-activated receptor delta	reviewed	Nuclear receptor	PPARD	Potency	-	0	nM
P10828	BXGT007624	Thyroid hormone receptor beta	reviewed	Nuclear receptor	THRB	Potency	-	31622	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	19952	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	30637	nM
P97697	BXGT012214	Inositol monophosphatase 1	reviewed	-	Impa1	Potency	'='	6309	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00051	Ceylon cinnamon	Cinnamomum verum	Herbs and Spices
BXGF00064	Muskmelon	Cucumis melo	Gourds
BXGF00081	Fig	Ficus carica	Fruits
BXGF00105	Apple	Malus pumila	Fruits
BXGF00119	Sweet basil	Ocimum basilicum	Herbs and Spices
BXGF00149	Peach	Prunus persica	Fruits
BXGF00179	Cloves	Syzygium aromaticum	Herbs and Spices
BXGF00194	Lingonberry	Vaccinium vitis-idaea	Fruits
BXGF00204	Common grape	Vitis vinifera	Fruits
BXGF00806	Alcoholic beverages		Beverages
BXGF00808	Pomes		Fruits
BXGF00809	Brassicas		Vegetables
BXGF00810	Cereals and cereal products		Cereals and cereal products
BXGF00823	Fruits		Fruits
BXGF00911	Piper attenuatum	Piper attenuatum	Medicinal Plant
BXGF01224	Tetracera alnifolia	Tetracera alnifolia	Medicinal Plant
BXGF01370	Artemisia jacutica	Artemisia jacutica	Others
BXGF01710	Aconitum fischeri	Aconitum fischeri	Medicinal Plant
BXGF01858	Bersama abyssinica	Bersama abyssinica	Medicinal Plant
BXGF01991	Rosa rugosa	Rosa rugosa	Medicinal Plant
BXGF02412	Pulmonaria mollis	Pulmonaria mollis	Others
BXGF02441	Aconitum sajanense	Aconitum sajanense	Others
BXGF02699	Hyacinthus orientalis	Hyacinthus orientalis	Medicinal Plant
BXGF02749	Lagascea mollis	Lagascea mollis	Medicinal Plant
BXGF02797	Espeletia grandiflora	Espeletia grandiflora	Others
BXGF02870	Strychnos triplinervia	Strychnos triplinervia	Medicinal Plant
BXGF02872	Phlegmariurus yunnanensis	Phlegmariurus yunnanensis	Others
BXGF03006	Styrax	Styrax	Medicinal Plant
BXGF03423	Chimonanthus fragrans	Chimonanthus fragrans	Others
BXGF03479	Bombax ceiba	Bombax ceiba	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
BXGF04271	Artemisia annua	Artemisia annua	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
BXGF04605	Senna alexandrina	Senna alexandrina	Medicinal Plant
BXGF04712	Prunus mume	Prunus mume	Medicinal Plant
BXGF04777	Quercus sessiliflora	Quercus sessiliflora	Others
BXGF04972	Eugenia caryopyhllata	Eugenia caryopyhllata	Others
BXGF05229	Apocynum androsaemifolium	Apocynum androsaemifolium	Medicinal Plant
BXGF05286	Cassia jahnii	Cassia jahnii	Others
BXGF05480	Lepidium draba	Lepidium draba	Medicinal Plant
BXGF05571	Ziziphus jujuba	Ziziphus jujuba	Medicinal Plant
BXGF05718	Avrainvillea rawsonii	Avrainvillea rawsonii	Others
BXGF05874	Damnacanthus major	Damnacanthus major	Others
BXGF06063	Stauntonia hexaphylla	Stauntonia hexaphylla	Medicinal Plant
BXGF06224	Rubus sanctus	Rubus sanctus	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}