acompound

Showing entry for 3-O-acetylgreenwayodendrin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0016007
Compound Name	3-O-acetylgreenwayodendrin
Structure
Formula	C25H33NO2
InchiKey	DRMMGUOJBQDCMO-LJDQNPOQSA-N
SMILES	CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2Cc2n1c1c(c2)cccc1)C)C
Inchi	InChI=1S/C25H33NO2/c1-16(27)28-22-11-12-24(4)20(23(22,2)3)10-13-25(5)21(24)15-18-14-17-8-6-7-9-19(17)26(18)25/h6-9,14,20-22H,10-13,15H2,1-5H3/t20-,21+,22-,24-,25+/m0/s1
IUPAC
Molecular Weight	379.25
Pubchem Id	46891355
Chembl Id	CHEMBL1083629

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	BXGT010516	Glyceraldehyde-3-phosphate dehydrogenase	reviewed		GAPDH	-	2050000	-	-
reviewed	BXGT004185	ATP-dependent 6-phosphofructokinase	reviewed		pfk	-	170000	-	-
reviewed	BXGT005683	Fructose-bisphosphate aldolase A	reviewed		ALDOA	-	150000	-	-

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
O15648	BXGT004185	ATP-dependent 6-phosphofructokinase	reviewed	-	pfk	IC50	'='	170000	nM
P00883	BXGT005683	Fructose-bisphosphate aldolase A	reviewed	-	ALDOA	IC50	'='	150000	nM
P46406	BXGT010516	Glyceraldehyde-3-phosphate dehydrogenase	reviewed	-	GAPDH	IC50	'='	2050000	nM
P00511	BXGT005563	ATP-dependent 6-phosphofructokinase, muscle type	reviewed	-	PFKM	Inhibition	'='	16	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03602	Orobanche coerulescens	Orobanche coerulescens	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}