acompound

Showing entry for 2,4,6-Trihydroxy-3-(3,3-Dimethylallyl)Acetophenone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0028439
Compound Name	2,4,6-Trihydroxy-3-(3,3-Dimethylallyl)Acetophenone
Structure
Formula	C13H16O4
InchiKey	VSODLHSFRVYYBZ-UHFFFAOYSA-N
SMILES	CC(=CCc1c(O)cc(c(c1O)C(=O)C)O)C
Inchi	InChI=1S/C13H16O4/c1-7(2)4-5-9-10(15)6-11(16)12(8(3)14)13(9)17/h4,6,15-17H,5H2,1-3H3
IUPAC	1-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone
Molecular Weight	236.1
Pubchem Id	11687311
Chembl Id	CHEMBL1241050

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

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

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
P09917	BXGT006941	Arachidonate 5-lipoxygenase	reviewed	Enzyme	ALOX5	IC50	-	-	-
O14684	BXGT004082	Prostaglandin E synthase	reviewed	-	PTGES	IC50	'>'	10000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01335	Acacia saligna	Acacia saligna	Medicinal Plant
BXGF04294	Dracocephalum moldavicum	Dracocephalum moldavicum	Others
BXGF05753	Citrus limonia	Citrus limonia	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}