acompound

Showing entry for Demethylbellidifolin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0048419
Compound Name	Demethylbellidifolin
Structure
Formula	C13H8O6
InchiKey	MPXAWSABMVLIBU-UHFFFAOYSA-N
SMILES	Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O
Inchi	InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H
IUPAC	1,3,5,8-tetrahydroxyxanthen-9-one
Molecular Weight	260.03
Pubchem Id	5281626
Chembl Id	CHEMBL184574

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	200	200	-	-
reviewed	BXGT012534	Cyclin-dependent-like kinase 5	reviewed	Kinase	CDK5	140	-	-	-
reviewed	BXGT008644	Amine oxidase [flavin-containing] A	reviewed		MAOA	-	13000	-	-
reviewed	BXGT013534	Cyclin-dependent kinase 5 activator 1	reviewed	Enzyme modulator	CDK5R1	-	200	-	-

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
P27338	BXGT009172	Amine oxidase [flavin-containing] B	reviewed	-	MAOB	Inhibition	'='	59	%
P21397	BXGT008644	Amine oxidase [flavin-containing] A	reviewed	-	MAOA	IC50	'='	13000	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	Inhibition	'='	17	%
Q15078	BXGT013534	Cyclin-dependent kinase 5 activator 1	reviewed	Enzyme modulator	CDK5R1	IC50	'='	200	nM
Q00535	BXGT012534	Cyclin-dependent-like kinase 5	reviewed	Kinase	CDK5	IC50	'='	200	nM
P21397	BXGT008644	Amine oxidase [flavin-containing] A	reviewed	-	MAOA	Inhibition	'='	90	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02485	Gentiana bellidifolia	Gentiana bellidifolia	Others
BXGF02964	Drypetes molunduana	Drypetes molunduana	Others
BXGF03146	Swertia leducii	Swertia leducii	Others
BXGF03387	Gentiana kochiana	Gentiana kochiana	Medicinal Plant
BXGF03468	Swertia calycina	Swertia calycina	Others
BXGF04518	Calophyllum apetalum	Calophyllum apetalum	Medicinal Plant
BXGF04537	Swertia japonica	Swertia japonica	Medicinal Plant
BXGF04557	Consolida oliveriana	Consolida oliveriana	Others
BXGF04569	Polygala fallax	Polygala fallax	Others
BXGF04601	Lophozia barbata	Lophozia barbata	Others
BXGF04650	Monnina emarginata	Monnina emarginata	Others
BXGF04693	Pyrus calleryana	Pyrus calleryana	Medicinal Plant
BXGF04729	Wettsteinia inversa	Wettsteinia inversa	Others
BXGF04744	Euphorbia makinoi	Euphorbia makinoi	Others
BXGF06039	Gentiana strictiflora	Gentiana strictiflora	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}