acompound

Showing entry for Eckol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0028277
Compound Name	Eckol
Structure
Formula	C18H12O9
InchiKey	PCZZRBGISTUIOA-UHFFFAOYSA-N
SMILES	Oc1cc(O)cc(c1)Oc1c(O)cc(c2c1Oc1c(O)cc(cc1O2)O)O
Inchi	InChI=1S/C18H12O9/c19-7-1-8(20)3-10(2-7)25-16-12(23)6-13(24)17-18(16)27-15-11(22)4-9(21)5-14(15)26-17/h1-6,19-24H
IUPAC	4-(3,5-dihydroxyphenoxy)dibenzo-p-dioxin-1,3,6,8-tetrol
Molecular Weight	372.05
Pubchem Id	145937
Chembl Id	CHEMBL471187

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	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	-	45100	-	-
reviewed	BXGT006430	Cholinesterase	reviewed		BCHE	-	33200	-	-
reviewed	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	-	12200	-	-
reviewed	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	13900	-	-	-

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
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	Ki	'='	13900	nM
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	Activity	-	-	-
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	IC50	'='	12200	nM
P0C6X7	BXGT007440	Replicase polyprotein 1ab	reviewed	-	rep	Inhibition	-	-	-
P0C6X7	BXGT007440	Replicase polyprotein 1ab	reviewed	-	rep	IC50	'='	8800	nM
P0C6X7	BXGT007440	Replicase polyprotein 1ab	reviewed	-	rep	Inhibition	'='	30	%
P0C6X7	BXGT007440	Replicase polyprotein 1ab	reviewed	-	rep	Ki	'='	8200	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02772	Alstonia scholaris	Alstonia scholaris	Medicinal Plant
BXGF04897	Alstonia spectabilis	Alstonia spectabilis	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}