acompound

Showing entry for Emodin Triacetate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0045828
Compound Name	Emodin Triacetate
Structure
Formula	C21H16O8
InchiKey	RVPRUQJQDGWKRY-UHFFFAOYSA-N
SMILES	CC(=O)Oc1cc(OC(=O)C)c2c(c1)C(=O)c1c(C2=O)c(OC(=O)C)cc(c1)C
Inchi	InChI=1S/C21H16O8/c1-9-5-14-18(16(6-9)28-11(3)23)21(26)19-15(20(14)25)7-13(27-10(2)22)8-17(19)29-12(4)24/h5-8H,1-4H3
IUPAC	(4,5-diacetyloxy-7-methyl-9,10-dioxoanthracen-2-yl) acetate
Molecular Weight	396.08
Pubchem Id	343129
Chembl Id	CHEMBL44247

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	BXGT006756	Neutrophil elastase	reviewed	Enzyme	ELANE	-	13000	-	-

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
P08246	BXGT006756	Neutrophil elastase	reviewed	Enzyme	ELANE	Inhibition	'='	79	%
P08419	BXGT006770	Chymotrypsin-like elastase family member 2A	reviewed	-	CELA2A	Inhibition	'='	22	%
P08246	BXGT006756	Neutrophil elastase	reviewed	Enzyme	ELANE	IC50	'='	13000	nM
P08311	BXGT006762	Cathepsin G	reviewed	Enzyme	CTSG	Inhibition	-	-	-
P00766	BXGT005647	Chymotrypsinogen A	reviewed	-		Inhibition	'='	3	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05051	Rhamnus	Rhamnus	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}