acompound

Showing entry for Acetoanisole

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0003711
Compound Name	Acetoanisole
Structure
Formula	C9H10O2
InchiKey	NTPLXRHDUXRPNE-UHFFFAOYSA-N
SMILES	COC1=CC=C(C=C1)C(C)=O
Inchi	InChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
IUPAC	1-(4-methoxyphenyl)ethan-1-one
Molecular Weight	150.17
Pubchem Id	7476
Chembl Id	CHEMBL401912

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

n.a

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

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	BXGT004563	Polyphenol oxidase 2	reviewed		PPO2	-	2000000	-	-

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
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'='	2000000	nM
P23457	BXGT008867	3-alpha-hydroxysteroid dehydrogenase	reviewed	-	Akr1c9	Ratio	'='	0	uL/min
P23457	BXGT008867	3-alpha-hydroxysteroid dehydrogenase	reviewed	-	Akr1c9	Vmax	'='	0	micromol/min
P23457	BXGT008867	3-alpha-hydroxysteroid dehydrogenase	reviewed	-	Akr1c9	Km	'='	5590000	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	47	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00082	Fennel	Foeniculum vulgare	Herbs and Spices
BXGF00113	Peppermint	Mentha X piperita	Herbs and Spices
BXGF00137	Anise	Pimpinella anisum	Herbs and Spices
BXGF00171	Garden tomato	Solanum lycopersicum	Vegetables
BXGF00806	Alcoholic beverages		Beverages
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00823	Fruits		Fruits
BXGF01126	Polygonum cuspidatum	Polygonum cuspidatum	Medicinal Plant
BXGF03435	Angelica pubescens	Angelica pubescens	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}