acompound

Showing entry for Bellidifolin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0026125
Compound Name	Bellidifolin
Structure
Formula	C14H10O6
InchiKey	JDIORNFCMMYMLF-UHFFFAOYSA-N
SMILES	COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O
Inchi	InChI=1S/C14H10O6/c1-19-6-4-9(17)11-10(5-6)20-14-8(16)3-2-7(15)12(14)13(11)18/h2-5,15-17H,1H3
IUPAC	1,5,8-trihydroxy-3-methoxyxanthen-9-one
Molecular Weight	274.05
Pubchem Id	5281623
Chembl Id	CHEMBL185776

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	BXGT012534	Cyclin-dependent-like kinase 5	reviewed	Kinase	CDK5	-	700	-	-
reviewed	BXGT008644	Amine oxidase [flavin-containing] A	reviewed		MAOA	-	660	-	-

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
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	7943	nM
O15648	BXGT004185	ATP-dependent 6-phosphofructokinase	reviewed	-	pfk	Potency	-	2685	nM
P27338	BXGT009172	Amine oxidase [flavin-containing] B	reviewed	-	MAOB	Inhibition	'='	65	%
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	11577	nM
P21397	BXGT008644	Amine oxidase [flavin-containing] A	reviewed	-	MAOA	IC50	'='	660	nM
P39748	BXGT010134	Flap endonuclease 1	reviewed	Enzyme	FEN1	Potency	-	25118	nM
O15648	BXGT004185	ATP-dependent 6-phosphofructokinase	reviewed	-	pfk	Potency	-	8492	nM
Q13526	BXGT013369	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	reviewed	-	PIN1	Potency	-	50118	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	Inhibition	'='	21	%
P21397	BXGT008644	Amine oxidase [flavin-containing] A	reviewed	-	MAOA	Inhibition	'='	98	%
O75164	BXGT005104	Lysine-specific demethylase 4A	reviewed	-	KDM4A	Potency	-	63095	nM
O15648	BXGT004185	ATP-dependent 6-phosphofructokinase	reviewed	-	pfk	Potency	-	3013	nM
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	56234	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00974	Gentiana lactea	Gentiana lactea	Medicinal Plant
BXGF01830	Swertia pseudochinensis	Swertia pseudochinensis	Medicinal Plant
BXGF03387	Gentiana kochiana	Gentiana kochiana	Medicinal Plant
BXGF04537	Swertia japonica	Swertia japonica	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}