acompound

Showing entry for Licoagrochacone A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0031726
Compound Name	Licoagrochacone A
Structure
Formula	C21H22O4
InchiKey	KAZSKMJFUPEHHW-DHZHZOJOSA-N
SMILES	C=CC(c1cc(/C=C/C(=O)c2ccc(cc2)O)c(cc1O)OC)(C)C
Inchi	InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
IUPAC	(E)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
Molecular Weight	338.15
Pubchem Id	5318998
Chembl Id	CHEMBL139702

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	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	-	19100	-	-

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	'='	5	ug.mL-1
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	19100	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	18	ug.mL-1
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	17	ug.mL-1
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	19	ug.mL-1
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	FC	'='	4	-
P12821	BXGT007849	Angiotensin-converting enzyme	reviewed	Enzyme	ACE	Inhibition	'='	110	%
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	4	ug.mL-1
P10481	BXGT007573	Sialidase	reviewed	-	nanH	IC50	'='	6	ug.mL-1
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Activity	-	-	-
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	'='	18	%
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Activity	'>'	60	%
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	'='	14	%
P14679	BXGT008039	Tyrosinase	reviewed	Enzyme	TYR	Inhibition	'='	10	%
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	FC	'='	4	-

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
BXGF02381	Glycyrrhiza inflata	Glycyrrhiza inflata	Medicinal Plant
BXGF03581	Glycyrrhiza kansuensis	Glycyrrhiza kansuensis	Medicinal Plant
BXGF04062	Spatholobus suberectus	Spatholobus suberectus	Medicinal Plant
BXGF04872	Glycyrrhiza glabra	Glycyrrhiza glabra	Medicinal Plant
BXGF04889	Pogostemon cablin	Pogostemon cablin	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}