acompound

Showing entry for 3',4,5,5',6-Pentabromo-2,2'-dimethoxydiphenyl ether

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0035231
Compound Name	3',4,5,5',6-Pentabromo-2,2'-dimethoxydiphenyl ether
Structure
Formula	C14H9Br5O3
InchiKey	MXPHINKLSXPVGO-UHFFFAOYSA-N
SMILES	COc1cc(Br)c(c(c1Oc1cc(Br)cc(c1OC)Br)Br)Br
Inchi	InChI=1S/C14H9Br5O3/c1-20-9-5-7(16)11(18)12(19)14(9)22-10-4-6(15)3-8(17)13(10)21-2/h3-5H,1-2H3
IUPAC	1,2,3-tribromo-4-(3,5-dibromo-2-methoxyphenoxy)-5-methoxybenzene
Molecular Weight	619.65
Pubchem Id	21637537
Chembl Id	CHEMBL150603

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
P15121	BXGT008083	Aldo-keto reductase family 1 member B1	reviewed	Enzyme	AKR1B1	Inhibition	'='	0	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01590	Viguiera cordifolia	Viguiera cordifolia	Others
BXGF01692	Achillea leptophylla	Achillea leptophylla	Medicinal Plant
BXGF01740	Oxybasis urbica	Oxybasis urbica	Others
BXGF02216	Zieria chevalieri	Zieria chevalieri	Others
BXGF02312	Alibertia macrophylla	Alibertia macrophylla	Others
BXGF02418	Dorstenia barnimiana	Dorstenia barnimiana	Human Edible Plant
BXGF02591	Uvaria mocoli	Uvaria mocoli	Medicinal Plant
BXGF02602	Sedum forsterianum	Sedum forsterianum	Medicinal Plant
BXGF05352	Dioscorea futschauensis	Dioscorea futschauensis	Medicinal Plant
BXGF05917	Verbascum georgicum	Verbascum georgicum	Others
BXGF06138	Rubia ustulata	Rubia ustulata	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}