acompound

Showing entry for Datiscetin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0034102
Compound Name	Datiscetin
Structure
Formula	C15H10O6
InchiKey	WCNLFPKXBGWWDS-UHFFFAOYSA-N
SMILES	Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1O
Inchi	InChI=1S/C15H10O6/c16-7-5-10(18)12-11(6-7)21-15(14(20)13(12)19)8-3-1-2-4-9(8)17/h1-6,16-18,20H
IUPAC	3,5,7-trihydroxy-2-(2-hydroxyphenyl)chromen-4-one
Molecular Weight	286.05
Pubchem Id	5281610
Chembl Id	CHEMBL503168

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

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
O76290	BXGT005181	Pteridine reductase	unreviewed	PTR1	-	-	~60000	-	-

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	BXGT019667	Aurora kinase B	reviewed	Kinase	AURKB	-	17840	-	-
reviewed	BXGT006306	Amyloid-beta precursor protein	reviewed	Enzyme modulator	APP	-	55400	-	-

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
P05067	BXGT006306	Amyloid-beta precursor protein	reviewed	Enzyme modulator	APP	Inhibition	-	-	-
Q86831	BXGT017584	Polyprotein II	unreviewed	-		Inhibition	'='	28	%
P05067	BXGT006306	Amyloid-beta precursor protein	reviewed	Enzyme modulator	APP	IC50	'='	55400	nM
P05067	BXGT006306	Amyloid-beta precursor protein	reviewed	Enzyme modulator	APP	TIME	'='	6	hr
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	23	%
P05067	BXGT006306	Amyloid-beta precursor protein	reviewed	Enzyme modulator	APP	Activity	-	-	-
Q15118	BXGT013540	[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial	reviewed	Kinase	PDK1	Inhibition	'='	0	%
P03126	BXGT006024	Protein E6	reviewed	-	E6	Inhibition	-	-	-
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	1	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01555	Scutellaria amoena	Scutellaria amoena	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}