acompound

Showing entry for Euphornin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0031075
Compound Name	Euphornin
Structure
Formula	C33H44O9
InchiKey	BRVXVMOWTHQKHC-LKCWGRRXSA-N
SMILES	CC(=O)O[C@H]1[C@@H](C)/C=C/C(C)(C)[C@H](OC(=O)C)C[C@H](/C(=C/[C@@H]2[C@]1(O)C[C@@H]([C@@H]2OC(=O)c1ccccc1)C)/C)OC(=O)C
Inchi	InChI=1S/C33H44O9/c1-19-14-15-32(7,8)28(40-23(5)35)17-27(39-22(4)34)20(2)16-26-29(42-31(37)25-12-10-9-11-13-25)21(3)18-33(26,38)30(19)41-24(6)36/h9-16,19,21,26-30,38H,17-18H2,1-8H3/b15-14+,20-16+/t19-,21-,26-,27+,28+,29-,30-,33+/m0/s1
IUPAC	[(1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-4,9,11-triacetyloxy-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,4,5,9,10,11,13a-octahydro-1H-cyclopenta[12]annulen-1-yl] benzoate
Molecular Weight	584.3
Pubchem Id	14489120
Chembl Id	CHEMBL499921

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
Q12809	BXGT013267	Potassium voltage-gated channel subfamily H member 2	reviewed	Ion channel	KCNH2	Inhibition	'='	3	%
P48544	BXGT010641	G protein-activated inward rectifier potassium channel 4	reviewed	Ion channel	KCNJ5	Inhibition	-	-	-
P48549	BXGT010644	G protein-activated inward rectifier potassium channel 1	reviewed	Ion channel	KCNJ3	Inhibition	-	-	-
P48544	BXGT010641	G protein-activated inward rectifier potassium channel 4	reviewed	Ion channel	KCNJ5	Inhibition	'='	78	%
P48549	BXGT010644	G protein-activated inward rectifier potassium channel 1	reviewed	Ion channel	KCNJ3	Inhibition	'='	78	%
P48544	BXGT010641	G protein-activated inward rectifier potassium channel 4	reviewed	Ion channel	KCNJ5	IC50	'='	2630	nM
P48549	BXGT010644	G protein-activated inward rectifier potassium channel 1	reviewed	Ion channel	KCNJ3	IC50	'='	2630	nM
Q12809	BXGT013267	Potassium voltage-gated channel subfamily H member 2	reviewed	Ion channel	KCNH2	Inhibition	'='	19	%
P48544	BXGT010641	G protein-activated inward rectifier potassium channel 4	reviewed	Ion channel	KCNJ5	Inhibition	'='	31	%
P48549	BXGT010644	G protein-activated inward rectifier potassium channel 1	reviewed	Ion channel	KCNJ3	Inhibition	'='	31	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01447	Euphorbia helioscopia	Euphorbia helioscopia	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}