acompound

Showing entry for Glabranin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0043230
Compound Name	Glabranin
Structure
Formula	C20H20O4
InchiKey	DAWSYIQAGQMLFS-SFHVURJKSA-N
SMILES	CC(=CCc1c(O)cc(c2c1O[C@@H](CC2=O)c1ccccc1)O)C
Inchi	InChI=1S/C20H20O4/c1-12(2)8-9-14-15(21)10-16(22)19-17(23)11-18(24-20(14)19)13-6-4-3-5-7-13/h3-8,10,18,21-22H,9,11H2,1-2H3/t18-/m0/s1
IUPAC	(2S)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
Molecular Weight	324.14
Pubchem Id	124049
Chembl Id	CHEMBL253998

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	BXGT007685	Serine/threonine-protein kinase pim-1	reviewed	Kinase	PIM1	-	12500	-	-
reviewed	BXGT007685	Serine/threonine-protein kinase pim-1	reviewed	Kinase	PIM1	-	12589	-	-
reviewed	BXGT004559	Acetylcholinesterase	reviewed		ache	-	23000	-	-

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
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	12589	nM
P11309	BXGT007685	Serine/threonine-protein kinase pim-1	reviewed	Kinase	PIM1	#NAME?	'='	-1	uM
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	Potency	'='	31622	nM
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	Potency	'='	3162	nM
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	Potency	'='	1000	nM
P15917	BXGT008169	Lethal factor	reviewed	-	lef	Potency	'='	31622	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	IC50	'='	23000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00857	Mitracarpus scaber	Mitracarpus scaber	Others
BXGF02131	Glycyrrhiza	Glycyrrhiza	Medicinal Plant
BXGF02306	Plumbago indica	Plumbago indica	Medicinal Plant
BXGF02381	Glycyrrhiza inflata	Glycyrrhiza inflata	Medicinal Plant
BXGF03798	Glycyrrhiza lepidota	Glycyrrhiza lepidota	Medicinal Plant
BXGF04387	Adenocarpus hispanicus	Adenocarpus hispanicus	Others
BXGF04393	Eysenhardtia platycarpa	Eysenhardtia platycarpa	Others
BXGF04410	Campylopus clavatus	Campylopus clavatus	Others
BXGF04440	Viola odorata	Viola odorata	Medicinal Plant
BXGF04459	Cissus tricuspidata	Cissus tricuspidata	Others
BXGF04473	Rhododendron maximum	Rhododendron maximum	Others
BXGF04487	Acritopappus longifolius	Acritopappus longifolius	Others
BXGF04491	Sarracenia flava	Sarracenia flava	Medicinal Plant
BXGF04854	Virola oleifera	Virola oleifera	Medicinal Plant
BXGF04872	Glycyrrhiza glabra	Glycyrrhiza glabra	Medicinal Plant
BXGF05790	Glycyrrhiza uralensis	Glycyrrhiza uralensis	Medicinal Plant
BXGF06160	Tasmannia lanceolata	Tasmannia lanceolata	Human Edible 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}