acompound

Showing entry for (9R,10R)-8,8-Dimethyl-9,10-dihydro-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9,10-diol 10-(2-methylpropionate)

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0038415
Compound Name	(9R,10R)-8,8-Dimethyl-9,10-dihydro-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9,10-diol 10-(2-methylpropionate)
Structure
Formula	C18H20O6
InchiKey	JHCPPFWOQPOFRF-HZPDHXFCSA-N
SMILES	O=C(C(C)C)O[C@@H]1c2c(ccc3c2oc(=O)cc3)OC([C@@H]1O)(C)C
Inchi	InChI=1S/C18H20O6/c1-9(2)17(21)23-15-13-11(24-18(3,4)16(15)20)7-5-10-6-8-12(19)22-14(10)13/h5-9,15-16,20H,1-4H3/t15-,16-/m1/s1
IUPAC
Molecular Weight	332.13
Pubchem Id	11034942
Chembl Id	CHEMBL518224

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
P04353	BXGT006194	Calmodulin	reviewed	-		Activity	-	-	-
P62157	BXGT011410	Calmodulin	reviewed	-	CALM	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05040	prionosciadium watsoni	prionosciadium watsoni	Others

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}