acompound

Showing entry for Isoliquiritin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0034607
Compound Name	Isoliquiritin
Structure
Formula	C21H22O9
InchiKey	YNWXJFQOCHMPCK-LXGDFETPSA-N
SMILES	OC[C@H]1O[C@@H](Oc2ccc(cc2)/C=C/C(=O)c2ccc(cc2O)O)[C@@H]([C@H]([C@@H]1O)O)O
Inchi	InChI=1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-5-1-11(2-6-13)3-8-15(24)14-7-4-12(23)9-16(14)25/h1-9,17-23,25-28H,10H2/b8-3+/t17-,18-,19+,20-,21-/m1/s1
IUPAC	(E)-1-(2,4-dihydroxyphenyl)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
Molecular Weight	418.13
Pubchem Id	5318591
Chembl Id	CHEMBL599763

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	BXGT008083	Aldo-keto reductase family 1 member B1	reviewed	Enzyme	AKR1B1	-	720	-	-

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
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	'<'	50	%
P15121	BXGT008083	Aldo-keto reductase family 1 member B1	reviewed	Enzyme	AKR1B1	IC50	'='	720	nM
P27487	BXGT009187	Dipeptidyl peptidase 4	reviewed	Enzyme	DPP4	IC50	'='	26920	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00047	Chickpea	Cicer arietinum	Pulses
BXGF00142	Purslane	Portulaca oleracea	Herbs and Spices
BXGF00857	Mitracarpus scaber	Mitracarpus scaber	Others
BXGF01385	Glycyrrhiza yunnanensis	Glycyrrhiza yunnanensis	Medicinal Plant
BXGF01829	Onobrychis viciifolia	Onobrychis viciifolia	Medicinal Plant
BXGF02381	Glycyrrhiza inflata	Glycyrrhiza inflata	Medicinal Plant
BXGF03450	Glycyrrhiza aspera	Glycyrrhiza aspera	Medicinal Plant
BXGF03521	Sophora tomentosa	Sophora tomentosa	Medicinal Plant
BXGF03581	Glycyrrhiza kansuensis	Glycyrrhiza kansuensis	Medicinal Plant
BXGF04230	Sigesbeckia pubescens	Sigesbeckia pubescens	Others
BXGF04272	Aralia subcapitata	Aralia subcapitata	Others
BXGF04768	Sigesbeckia glabrescens	Sigesbeckia glabrescens	Medicinal Plant
BXGF04872	Glycyrrhiza glabra	Glycyrrhiza glabra	Medicinal Plant
BXGF05127	Robinia pseudoacacia	Robinia pseudoacacia	Medicinal Plant
BXGF05790	Glycyrrhiza uralensis	Glycyrrhiza uralensis	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}