acompound

Showing entry for antithiamine factor

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0047951
Compound Name	antithiamine factor
Structure
Formula	C12H14O5
InchiKey	JHLPYWLKSLVYOI-SNAWJCMRSA-N
SMILES	COC(=O)/C=C/c1cc(OC)c(c(c1)OC)O
Inchi	InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)17-3)7-10(16-2)12(9)14/h4-7,14H,1-3H3/b5-4+
IUPAC	methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
Molecular Weight	238.08
Pubchem Id	5321318
Chembl Id	CHEMBL146713

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
P47199	BXGT010568	Quinone oxidoreductase	reviewed	-	Cryz	CD	'='	93	uM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00121	Olive	Olea europaea	Vegetables
BXGF00153	Radish	Raphanus sativus	Vegetables
BXGF03296	Woodsia manchuriensis	Woodsia manchuriensis	Others
BXGF04511	Eritrichium sericeum	Eritrichium sericeum	Others
BXGF04550	Chrysosplenium americanum	Chrysosplenium americanum	Medicinal Plant
BXGF04580	Phlogacanthus tubiflorus	Phlogacanthus tubiflorus	Human Edible Plant
BXGF04606	Anemone tomentosa	Anemone tomentosa	Others
BXGF04653	Sabia japonica	Sabia japonica	Others

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}