acompound

Showing entry for Alpha-Tochopherol

General Compound Information
BXGC Id	BXGC0016044
Compound Name	Alpha-Tochopherol
Structure
Formula	C29H50O2
InchiKey	GVJHHUAWPYXKBD-UHFFFAOYSA-N
SMILES	CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C
Inchi	InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3
IUPAC	2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
Molecular Weight	430.38
Pubchem Id	2116
Chembl Id	CHEMBL49563

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

50436220

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	BXGT010740	Presenilin-1	reviewed	Enzyme	PSEN1	-	>100000	-	-
reviewed	BXGT010740	Presenilin-1	reviewed	Enzyme	PSEN1	-	-	-	>100000

CHEMBL

CHEMBL49563

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
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	11220	nM
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	5011	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	85	%
P49768	BXGT010740	Presenilin-1	reviewed	Enzyme	PSEN1	EC50	'>'	100000	nM
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	14125	nM
Q9UBT6	BXGT021664	DNA polymerase kappa	reviewed	-	POLK	Potency	-	11220	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	84	%
P49768	BXGT010740	Presenilin-1	reviewed	Enzyme	PSEN1	IC50	'>'	100000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00027	Chinese mustard	Brassica juncea	Vegetables
BXGF00040	Pepper (C. annuum)	Capsicum annuum	Vegetables
BXGF00094	Common walnut	Juglans regia	Nuts
BXGF00144	Apricot	Prunus armeniaca	Fruits
BXGF00151	Pomegranate	Punica granatum	Fruits
BXGF00153	Radish	Raphanus sativus	Vegetables
BXGF00181	Dandelion	Taraxacum officinale	Herbs and Spices
BXGF00206	Ginger	Zingiber officinale	Herbs and Spices
BXGF00380	White mustard	Sinapis alba	Herbs and Spices
BXGF01260	Eleutherococcus senticosus	Eleutherococcus senticosus	Medicinal Plant
BXGF01580	Changium smyrnioides	Changium smyrnioides	Medicinal Plant
BXGF01668	Taraxacum platycarpum	Taraxacum platycarpum	Medicinal Plant
BXGF02152	Taraxacum borealisinense	Taraxacum borealisinense	Others
BXGF02330	Codonopsis pilosula	Codonopsis pilosula	Medicinal Plant
BXGF02922	Stemona tuberosa	Stemona tuberosa	Human Edible Plant
BXGF02999	Prunus sibirica	Prunus sibirica	Medicinal Plant
BXGF03611	Viscum coloratum	Viscum coloratum	Medicinal Plant
BXGF03630	Taraxacum coreanum	Taraxacum coreanum	Others
BXGF03892	Sesamum indicum	Sesamum indicum	0
BXGF03954	Prunus mandshurica	Prunus mandshurica	Others
BXGF04283	Terminalia chebula	Terminalia chebula	Medicinal Plant
BXGF04310	Taraxacum mongolicum	Taraxacum mongolicum	Medicinal Plant
BXGF05296	Canavalia gladiata	Canavalia gladiata	Medicinal Plant
BXGF05526	Salvia miltiorrhiza	Salvia miltiorrhiza	Medicinal Plant
BXGF05571	Ziziphus jujuba	Ziziphus jujuba	Medicinal Plant
BXGF05911	Viscum album	Viscum album	Medicinal Plant
BXGF06070	Perilla frutescens	Perilla frutescens	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}