acompound

Showing entry for epsilon-Tocopherol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0001753
Compound Name	epsilon-Tocopherol
Structure
Formula	C28H42O2
InchiKey	FGYKUFVNYVMTAM-NTZRDTQNSA-N
SMILES	CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC1(C)CCC2=C(C)C(O)=CC(C)=C2O1
Inchi	InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+
IUPAC	2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol
Molecular Weight	410.63
Pubchem Id	9844470
Chembl Id	CHEMBL345478

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
P04035	BXGT006129	3-hydroxy-3-methylglutaryl-coenzyme A reductase	reviewed	-	HMGCR	Inhibition	'='	21	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00022	Oat	Avena sativa	Cereals and cereal products
BXGF00043	Caraway	Carum carvi	Herbs and Spices
BXGF00082	Fennel	Foeniculum vulgare	Herbs and Spices
BXGF00088	Barley	Hordeum vulgare	Cereals and cereal products
BXGF00125	Rice	Oryza sativa	Cereals and cereal products
BXGF00159	Rosemary	Rosmarinus officinalis	Herbs and Spices
BXGF00169	Rye	Secale cereale	Cereals and cereal products
BXGF00192	American cranberry	Vaccinium macrocarpon	Fruits
BXGF00204	Common grape	Vitis vinifera	Fruits
BXGF00205	Corn	Zea mays	Cereals and cereal products
BXGF00310	Coconut	Cocos nucifera	Fruits
BXGF00810	Cereals and cereal products		Cereals and cereal products
BXGF00816	Fats and oils		Fats and oils

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}