acompound

Showing entry for Docosyl caffeate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0027980
Compound Name	Docosyl caffeate
Structure
Formula	C31H52O4
InchiKey	GUWHMEMJBCLEBP-WJTDDFOZSA-N
SMILES	CCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(c(c1)O)O
Inchi	InChI=1S/C31H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-35-31(34)25-23-28-22-24-29(32)30(33)27-28/h22-25,27,32-33H,2-21,26H2,1H3/b25-23+
IUPAC	docosyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Weight	488.39
Pubchem Id	5316952
Chembl Id	CHEMBL1933863

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
Q965D5	BXGT019600	Enoyl-acyl-carrier protein reductase	unreviewed	-	fabI	IC50	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01230	Lithospermum erythrorhizon	Lithospermum erythrorhizon	Medicinal Plant
BXGF02381	Glycyrrhiza inflata	Glycyrrhiza inflata	Medicinal Plant
BXGF03735	Hansenia weberbaueriana	Hansenia weberbaueriana	Others
BXGF04872	Glycyrrhiza glabra	Glycyrrhiza glabra	Medicinal Plant
BXGF05790	Glycyrrhiza uralensis	Glycyrrhiza uralensis	Medicinal Plant
BXGF05962	Rehmannia glutinosa	Rehmannia glutinosa	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}