acompound

Showing entry for Echinatin

General Compound Information
BXGC Id	BXGC0032936
Compound Name	Echinatin
Structure
Formula	C16H14O4
InchiKey	QJKMIJNRNRLQSS-WEVVVXLNSA-N
SMILES	COc1cc(O)ccc1/C=C/C(=O)c1ccc(cc1)O
Inchi	InChI=1S/C16H14O4/c1-20-16-10-14(18)8-4-12(16)5-9-15(19)11-2-6-13(17)7-3-11/h2-10,17-18H,1H3/b9-5+
IUPAC	(E)-3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
Molecular Weight	270.09
Pubchem Id	6442675
Chembl Id	CHEMBL141530

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

50068267

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	-	>50000	-	-

CHEMBL

CHEMBL141530

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
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	FC	'='	4	-
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Activity	-	-	-
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	2	ug.mL-1
P10481	BXGT007573	Sialidase	reviewed	-	nanH	IC50	'='	8	ug.mL-1
P37231	BXGT009972	Peroxisome proliferator-activated receptor gamma	reviewed	Nuclear receptor	PPARG	Activity	-	-	-
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'>'	50000	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	2	ug.mL-1
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	5	ug.mL-1
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	5	ug.mL-1
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	8	ug.mL-1
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	FC	'='	4	-
P11388	BXGT007697	DNA topoisomerase 2-alpha	reviewed	-	TOP2A	Inhibition	-	-	-
P14679	BXGT008039	Tyrosinase	reviewed	Enzyme	TYR	Inhibition	-	-	-
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	FC	'='	5	-
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	'<'	50	%
P11388	BXGT007697	DNA topoisomerase 2-alpha	reviewed	-	TOP2A	Inhibition	'='	1	%
P07711	BXGT006661	Cathepsin L1	reviewed	Enzyme	CTSL	IC50	'='	30340	nM
P07858	BXGT006689	Cathepsin B	reviewed	Enzyme	CTSB	IC50	'='	57680	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	FC	'='	6	-
P11387	BXGT007696	DNA topoisomerase 1	reviewed	Enzyme	TOP1	Inhibition	'='	2	%
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	'='	75	%
P11387	BXGT007696	DNA topoisomerase 1	reviewed	Enzyme	TOP1	Inhibition	'='	88	%
P12821	BXGT007849	Angiotensin-converting enzyme	reviewed	Enzyme	ACE	Inhibition	'='	72	%
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Activity	'>'	60	%

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
BXGF02381	Glycyrrhiza inflata	Glycyrrhiza inflata	Medicinal Plant
BXGF03177	Glycyrrhiza echinata	Glycyrrhiza echinata	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}