acompound

Showing entry for 2,2',4'-Trihydroxy-6'-Methoxy-3',5'-Dimethylchalcone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0015369
Compound Name	2,2',4'-Trihydroxy-6'-Methoxy-3',5'-Dimethylchalcone
Structure
Formula	C18H18O5
InchiKey	SPWBEELZNSXNME-CMDGGOBGSA-N
SMILES	COc1c(C(=O)/C=C/c2ccccc2O)c(O)c(c(c1C)O)C
Inchi	InChI=1S/C18H18O5/c1-10-16(21)11(2)18(23-3)15(17(10)22)14(20)9-8-12-6-4-5-7-13(12)19/h4-9,19,21-22H,1-3H3/b9-8+
IUPAC	(E)-1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
Molecular Weight	314.12
Pubchem Id	11771403
Chembl Id	CHEMBL509947

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	'='	23120	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	2550	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	28120	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	Inhibition	-	-	-
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	10000	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	Ki	'='	34140	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	23100	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03303	Psorothamnus polydenius	Psorothamnus polydenius	Others

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}