acompound

Showing entry for (E)-2',4,4'-Trihydroxy-3-prenylchalcone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0004797
Compound Name	(E)-2',4,4'-Trihydroxy-3-prenylchalcone
Structure
Formula	C20H20O4
InchiKey	TVUGLERLRIQATC-BJMVGYQFSA-N
SMILES	CC(C)=CCC1=C(O)C=CC(\C=C\C(=O)C2=C(O)C=C(O)C=C2)=C1
Inchi	InChI=1S/C20H20O4/c1-13(2)3-6-15-11-14(4-9-18(15)22)5-10-19(23)17-8-7-16(21)12-20(17)24/h3-5,7-12,21-22,24H,6H2,1-2H3/b10-5+
IUPAC	(2E)-1-(2,4-dihydroxyphenyl)-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-en-1-one
Molecular Weight	324.37
Pubchem Id	11099375
Chembl Id	CHEMBL229885

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	-	16900	-	-
reviewed	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	-	>308300	-	-

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
P10481	BXGT007573	Sialidase	reviewed	-	nanH	IC50	'='	0	ug.mL-1
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	60	ug.mL-1
P11511	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	IC50	'>'	308300	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	16900	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	51	ug.mL-1
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	20	ug.mL-1
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	Ki	'='	22	ug ml-1
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	21	ug.mL-1
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	FC	'='	2	-
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	56	ug.mL-1
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	'='	17	%
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	'='	98	%
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	970	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	FC	'='	1	-
P14679	BXGT008039	Tyrosinase	reviewed	Enzyme	TYR	Inhibition	'='	22	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF02131	Glycyrrhiza	Glycyrrhiza	Medicinal Plant
BXGF02213	Glycyrrhiza sp.	Glycyrrhiza sp.	Others
BXGF04872	Glycyrrhiza glabra	Glycyrrhiza glabra	Medicinal Plant
BXGF06042	Erythrina abyssinica	Erythrina abyssinica	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}