acompound

Showing entry for chrysophanol dimethyl ether

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0015826
Compound Name	chrysophanol dimethyl ether
Structure
Formula	C17H14O4
InchiKey	LODCICIWBUFMMY-UHFFFAOYSA-N
SMILES	COc1cc(C)cc2c1C(=O)c1c(C2=O)cccc1OC
Inchi	InChI=1S/C17H14O4/c1-9-7-11-15(13(8-9)21-3)17(19)14-10(16(11)18)5-4-6-12(14)20-2/h4-8H,1-3H3
IUPAC	1,8-dimethoxy-3-methylanthracene-9,10-dione
Molecular Weight	282.09
Pubchem Id	189763
Chembl Id	CHEMBL289530

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
P79208	BXGT011858	Prostaglandin G/H synthase 2	reviewed	-	PTGS2	Inhibition	'='	62	%
P05979	BXGT006400	Prostaglandin G/H synthase 1	reviewed	-	PTGS1	Inhibition	'='	59	%
P79208	BXGT011858	Prostaglandin G/H synthase 2	reviewed	-	PTGS2	IC50	-	-	-
P05979	BXGT006400	Prostaglandin G/H synthase 1	reviewed	-	PTGS1	IC50	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03158	Rheum officinale	Rheum officinale	Medicinal Plant
BXGF03988	Rheum coreanum	Rheum coreanum	Others
BXGF04539	Rheum palmatum	Rheum palmatum	Medicinal Plant
BXGF05877	Rheum tanguticum	Rheum tanguticum	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}