acompound

Showing entry for Methylbrevifolin Carboxylate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0035448
Compound Name	Methylbrevifolin Carboxylate
Structure
Formula	C14H10O8
InchiKey	JNWDNAASYHRXMG-UHFFFAOYSA-N
SMILES	COC(=O)C1CC(=O)c2c1c1c(O)c(O)c(cc1c(=O)o2)O
Inchi	InChI=1S/C14H10O8/c1-21-13(19)5-3-7(16)12-9(5)8-4(14(20)22-12)2-6(15)10(17)11(8)18/h2,5,15,17-18H,3H2,1H3
IUPAC	methyl 7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c]isochromene-1-carboxylate
Molecular Weight	306.04
Pubchem Id	5319518
Chembl Id	CHEMBL567076

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	BXGT010924	Triosephosphate isomerase, glycosomal	reviewed		-	-	6500	-	-
reviewed	BXGT011294	Triosephosphate isomerase	reviewed	Enzyme	TPI1	-	>1000000	-	-

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
P60174	BXGT011294	Triosephosphate isomerase	reviewed	Enzyme	TPI1	IC50	'>'	1000000	nM
P52270	BXGT010924	Triosephosphate isomerase, glycosomal	reviewed	-		IC50	'='	6500	nM
P52270	BXGT010924	Triosephosphate isomerase, glycosomal	reviewed	-		Kd	'='	10400	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02093	Geranium wilfordii	Geranium wilfordii	Medicinal Plant
BXGF02314	Geranium carolinianum	Geranium carolinianum	Others
BXGF02658	Erodium stephanianum	Erodium stephanianum	Medicinal Plant
BXGF04527	Geranium thunbergii	Geranium thunbergii	Medicinal Plant
BXGF04780	Euphorbia maculata	Euphorbia maculata	Medicinal Plant
BXGF05520	Euphorbia humifusa	Euphorbia humifusa	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}