acompound

Showing entry for Afzelechin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0002056
Compound Name	Afzelechin
Structure
Formula	C15H14O5
InchiKey	RSYUFYQTACJFML-UHFFFAOYSA-N
SMILES	OC1CC2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C=C1
Inchi	InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2
IUPAC	2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Molecular Weight	274.27
Pubchem Id	282014
Chembl Id	CHEMBL1326092

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
Q9UBT6	BXGT021664	DNA polymerase kappa	reviewed	-	POLK	Potency	-	31622	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	12589	nM
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	28183	nM
O00255	BXGT003903	Menin	reviewed	-	MEN1	Potency	'='	28183	nM
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	25118	nM
O00255	BXGT003903	Menin	reviewed	-	MEN1	Potency	'='	25118	nM
Q9UM73	BXGT021773	ALK tyrosine kinase receptor	reviewed	Kinase	ALK	Inhibition	'>'	50	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00004	Kiwi	Actinidia chinensis	Fruits
BXGF00149	Peach	Prunus persica	Fruits
BXGF01597	Senegalia catechu	Senegalia catechu	Medicinal Plant
BXGF04659	Phyllanthus emblica	Phyllanthus emblica	Medicinal Plant
BXGF05630	Celastrus orbiculatus	Celastrus orbiculatus	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}