acompound

Showing entry for Zingerone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0004727
Compound Name	Zingerone
Structure
Formula	C11H14O3
InchiKey	OJYLAHXKWMRDGS-UHFFFAOYSA-N
SMILES	COC1=C(O)C=CC(CCC(C)=O)=C1
Inchi	InChI=1S/C11H14O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-7,13H,3-4H2,1-2H3
IUPAC	4-(4-hydroxy-3-methoxyphenyl)butan-2-one
Molecular Weight	194.23
Pubchem Id	31211
Chembl Id	CHEMBL25894

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	-	>100000	-	-
reviewed	BXGT007552	Androgen receptor	reviewed	Nuclear receptor	AR	-	153000	-	-

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
P10275	BXGT007552	Androgen receptor	reviewed	Nuclear receptor	AR	IC50	'='	153000	nM
P10275	BXGT007552	Androgen receptor	reviewed	Nuclear receptor	AR	IC50	'='	151356	nM
P10275	BXGT007552	Androgen receptor	reviewed	Nuclear receptor	AR	Activity	-	-	-
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'>'	100000	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	6	%
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	-5	%
P28482	BXGT009263	Mitogen-activated protein kinase 1	reviewed	Kinase	MAPK1	Inhibition	-	-	-
P27361	BXGT009176	Mitogen-activated protein kinase 3	reviewed	Kinase	MAPK3	Inhibition	-	-	-
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	1	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	0	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	2	%
Q13936	BXGT013404	Voltage-dependent L-type calcium channel subunit alpha-1C	reviewed	Ion channel	CACNA1C	IC50	'='	2000000	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	10	%
P05412	BXGT006354	Transcription factor AP-1	reviewed	Transcription factor	JUN	Inhibition	-	-	-
Q15796	BXGT013599	Mothers against decapentaplegic homolog 2	reviewed	Transcription factor	SMAD2	Inhibition	-	-	-
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	0	%
P25963	BXGT009080	NF-kappa-B inhibitor alpha	reviewed	-	NFKBIA	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00123	Pot marjoram	Origanum onites	Herbs and Spices
BXGF00206	Ginger	Zingiber officinale	Herbs and Spices
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00823	Fruits		Fruits
BXGF03733	Alpinia officinarum	Alpinia officinarum	Medicinal Plant
BXGF03910	Polyalthia nemoralis	Polyalthia nemoralis	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}