acompound

Showing entry for Liquiritin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0022090
Compound Name	Liquiritin
Structure
Formula	C21H22O9
InchiKey	DEMKZLAVQYISIA-ZRWXNEIDSA-N
SMILES	OC[C@H]1O[C@@H](Oc2ccc(cc2)[C@@H]2CC(=O)c3c(O2)cc(cc3)O)[C@@H]([C@H]([C@@H]1O)O)O
Inchi	InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2/t15-,17+,18+,19-,20+,21+/m0/s1
IUPAC	(2S)-7-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
Molecular Weight	418.13
Pubchem Id	503737
Chembl Id	CHEMBL511995

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

n.a

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

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
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	140000	nM
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	25929	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	83100	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'>'	100000	nM
Q9UIF8	BXGT021718	Bromodomain adjacent to zinc finger domain protein 2B	reviewed	-	BAZ2B	Potency	-	707	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	-	-	-
P80457	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed	-	XDH	Inhibition	'='	18	%
P07550	BXGT006636	Beta-2 adrenergic receptor	reviewed	G-protein coupled receptor	ADRB2	Potency	-	6513	nM
P07237	BXGT006576	Protein disulfide-isomerase	reviewed	-	P4HB	AC50	-	15580	nM
P02791	BXGT005965	Ferritin light chain	reviewed	-	FTL	Potency	'='	794	nM
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	39810	nM
P07237	BXGT006576	Protein disulfide-isomerase	reviewed	-	P4HB	AC50	'='	15580	nM
Q9NR56	BXGT021179	Muscleblind-like protein 1	reviewed	Nucleic acid binding	MBNL1	Potency	-	28183	nM
P00811	BXGT005666	Beta-lactamase	reviewed	-	ampC	Potency	'='	112201	nM
P04637	BXGT006243	Cellular tumor antigen p53	reviewed	Transcription factor	TP53	Potency	-	70794	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	'<'	50	%
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	6513	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00142	Purslane	Portulaca oleracea	Herbs and Spices
BXGF00337	Ginkgo nuts	Ginkgo biloba	Herbs and Spices
BXGF00857	Mitracarpus scaber	Mitracarpus scaber	Others
BXGF02131	Glycyrrhiza	Glycyrrhiza	Medicinal Plant
BXGF02381	Glycyrrhiza inflata	Glycyrrhiza inflata	Medicinal Plant
BXGF04230	Sigesbeckia pubescens	Sigesbeckia pubescens	Others
BXGF04768	Sigesbeckia glabrescens	Sigesbeckia glabrescens	Medicinal Plant
BXGF04872	Glycyrrhiza glabra	Glycyrrhiza glabra	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}