acompound

Showing entry for methylswertianin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0023461
Compound Name	methylswertianin
Structure
Formula	C15H12O6
InchiKey	PUECEVJMPDNNHT-UHFFFAOYSA-N
SMILES	COc1cc(O)c2c(c1)oc1c(c2=O)c(O)c(cc1)OC
Inchi	InChI=1S/C15H12O6/c1-19-7-5-8(16)12-11(6-7)21-9-3-4-10(20-2)14(17)13(9)15(12)18/h3-6,16-17H,1-2H3
IUPAC	1,8-dihydroxy-2,6-dimethoxyxanthen-9-one
Molecular Weight	288.06
Pubchem Id	5281653
Chembl Id	CHEMBL3704820

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	BXGT008465	Potassium-transporting ATPase alpha chain 1	reviewed		ATP4A	-	>100000	-	-

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
P54710	BXGT011070	Sodium/potassium-transporting ATPase subunit gamma	reviewed	Transporter	FXYD2	IC50	'>'	100000	nM
Q13733	BXGT013394	Sodium/potassium-transporting ATPase subunit alpha-4	reviewed	Transporter	ATP1A4	IC50	'>'	100000	nM
P13637	BXGT007933	Sodium/potassium-transporting ATPase subunit alpha-3	reviewed	Transporter	ATP1A3	IC50	'>'	100000	nM
P54709	BXGT011069	Sodium/potassium-transporting ATPase subunit beta-3	reviewed	Transporter	ATP1B3	IC50	'>'	100000	nM
P50993	BXGT010826	Sodium/potassium-transporting ATPase subunit alpha-2	reviewed	Transporter	ATP1A2	IC50	'>'	100000	nM
P05026	BXGT006296	Sodium/potassium-transporting ATPase subunit beta-1	reviewed	Transporter	ATP1B1	IC50	'>'	100000	nM
P14415	BXGT008010	Sodium/potassium-transporting ATPase subunit beta-2	reviewed	Transporter	ATP1B2	IC50	'>'	100000	nM
P05023	BXGT006294	Sodium/potassium-transporting ATPase subunit alpha-1	reviewed	Transporter	ATP1A1	IC50	'>'	100000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00002	Savoy cabbage	Brassica oleracea var. sabauda	Vegetables
BXGF03387	Gentiana kochiana	Gentiana kochiana	Medicinal Plant
BXGF04537	Swertia japonica	Swertia japonica	Medicinal Plant
BXGF05115	Andrographis paniculata	Andrographis paniculata	Medicinal Plant
BXGF06188	Swertia mussotii	Swertia mussotii	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}