acompound

Showing entry for Alpha-Tocoquinone

General Compound Information
BXGC Id	BXGC0048386
Compound Name	Alpha-Tocoquinone
Structure
Formula	C29H50O3
InchiKey	LTVDFSLWFKLJDQ-IEOSBIPESA-N
SMILES	C[C@H](CCC[C@@H](CCCC(C)C)C)CCC[C@](CCC1=C(C)C(=O)C(=C(C1=O)C)C)(O)C
Inchi	InChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
IUPAC	2-[(3R,7R,11R)-3-hydroxy-3,7,11,15-tetramethylhexadecyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
Molecular Weight	446.38
Pubchem Id	2734086
Chembl Id	CHEMBL1223852

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

VTQ

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
O76054	BXGT005172	SEC14-like protein 2	reviewed	SEC14L2	-	-	-	-	-

Binding DB

50041386

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	BXGT009419	M-phase inducer phosphatase 2	reviewed	Enzyme	CDC25B	-	23230	-	-
reviewed	BXGT008330	Tyrosine-protein phosphatase non-receptor type 2	reviewed		PTPN2	-	35090	-	-
reviewed	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	-	3850	-	-

CHEMBL

CHEMBL1223852

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
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Inhibition	-	-	-
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	3850	nM
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	Inhibition	-	-	-
P17706	BXGT008330	Tyrosine-protein phosphatase non-receptor type 2	reviewed	-	PTPN2	IC50	'='	35090	nM
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	Inhibition	-	-	-
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	Inhibition	-	-	-
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	Inhibition	-	-	-
P29350	BXGT009335	Tyrosine-protein phosphatase non-receptor type 6	reviewed	-	PTPN6	Inhibition	'<'	50	%
P30305	BXGT009419	M-phase inducer phosphatase 2	reviewed	Enzyme	CDC25B	IC50	'='	23230	nM
Q06124	BXGT012856	Tyrosine-protein phosphatase non-receptor type 11	reviewed	-	PTPN11	Inhibition	'<'	50	%
P10586	BXGT007581	Receptor-type tyrosine-protein phosphatase F	reviewed	Enzyme	PTPRF	Inhibition	'<'	50	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00205	Corn	Zea mays	Cereals and cereal products
BXGF00292	Butternut squash	Cucurbita moschata	Gourds
BXGF00405	Quinoa	Chenopodium quinoa	Herbs and Spices
BXGF01025	Andira retusa	Andira retusa	Others
BXGF01070	Himalaiella deltoidea	Himalaiella deltoidea	Others
BXGF01105	Baeckea frutescens	Baeckea frutescens	Medicinal Plant
BXGF01198	Marrubium parviflorum	Marrubium parviflorum	Others
BXGF01249	Dyssodia anthemidifolia	Dyssodia anthemidifolia	Others
BXGF01285	Psathyrotes ramosissima	Psathyrotes ramosissima	Others
BXGF01298	Lychnophora pinaster	Lychnophora pinaster	Others
BXGF01486	Lespedeza maximowiczi	Lespedeza maximowiczi	Others
BXGF01569	Coprosma foetidissima	Coprosma foetidissima	Medicinal Plant
BXGF01611	Cassia artemisioides	Cassia artemisioides	Others
BXGF01659	Microglossa pyrifolia	Microglossa pyrifolia	Medicinal Plant
BXGF01759	Parthenium confertum	Parthenium confertum	Others
BXGF01796	Harpullia cupanioides	Harpullia cupanioides	Others
BXGF01819	Trifolium diffusum	Trifolium diffusum	Others
BXGF01825	Youngia japonica	Youngia japonica	Medicinal Plant
BXGF01832	Dalbergia ecastaphyllum	Dalbergia ecastaphyllum	Medicinal Plant
BXGF01847	Eriocephalus kingesii	Eriocephalus kingesii	Others
BXGF01874	Amomum sulcatum	Amomum sulcatum	Others
BXGF01877	Balanophora polyandra	Balanophora polyandra	Medicinal Plant
BXGF01923	Lilium rubrum	Lilium rubrum	Others
BXGF01943	Lobelia syphilitica	Lobelia syphilitica	Others
BXGF02010	Cryptocarya chinensis	Cryptocarya chinensis	Medicinal Plant
BXGF02106	Citrus medica	Citrus medica	Medicinal Plant
BXGF02184	Panicum crus-galli	Panicum crus-galli	Medicinal Plant
BXGF02210	Scleropyrum wallichianum	Scleropyrum wallichianum	Medicinal Plant
BXGF02221	Phlojodicarpus sibiricus	Phlojodicarpus sibiricus	Medicinal Plant
BXGF02397	Pithecellobium racemosum	Pithecellobium racemosum	Others
BXGF02859	Bulbinella floribunda	Bulbinella floribunda	Others
BXGF02862	Isodon eriocalyx	Isodon eriocalyx	Others
BXGF02890	Veronica stricta	Veronica stricta	Others
BXGF03117	Myoporum platycarpum	Myoporum platycarpum	Medicinal Plant
BXGF03134	Zanthoxylum ocumarense	Zanthoxylum ocumarense	Others
BXGF03300	Blumea eriantha	Blumea eriantha	Medicinal Plant
BXGF03374	Cipadessa fruticosa	Cipadessa fruticosa	Others
BXGF03511	Caulerpa racemosa	Caulerpa racemosa	Human Edible Plant
BXGF03649	Palaquium canaliculatum	Palaquium canaliculatum	Others
BXGF03665	Physalis sordida	Physalis sordida	Others
BXGF03785	Taxus drupacea	Taxus drupacea	Others
BXGF03803	Ilex brevicuspis	Ilex brevicuspis	Human Edible Plant
BXGF03831	Acrisione denticulata	Acrisione denticulata	Others
BXGF03845	Senecio heliopsis	Senecio heliopsis	Others
BXGF03851	Berberis orthobotrys	Berberis orthobotrys	Medicinal Plant
BXGF03871	Codium dwarkense	Codium dwarkense	Others
BXGF03878	Achillea biebersteinii	Achillea biebersteinii	Medicinal Plant
BXGF03904	Euphorbia formosana	Euphorbia formosana	Others
BXGF03912	Diplazium esculentum	Diplazium esculentum	Medicinal Plant
BXGF03944	Ongokea gore	Ongokea gore	Medicinal Plant
BXGF03946	Sanicula epipactis	Sanicula epipactis	Others
BXGF03958	Euonymus laxiflorus	Euonymus laxiflorus	Others
BXGF03963	Sarcophyton latum	Sarcophyton latum	Others
BXGF03989	Scopolia atropoides	Scopolia atropoides	Others
BXGF04005	Caryocar villosum	Caryocar villosum	Medicinal Plant
BXGF04013	Ocimum gratissimum	Ocimum gratissimum	Medicinal Plant
BXGF04019	Glochidion philippicum	Glochidion philippicum	Others
BXGF04024	Ceriops decandra	Ceriops decandra	Medicinal Plant
BXGF04027	Solidago petiolaris	Solidago petiolaris	Others
BXGF04034	Zaluzania grayana	Zaluzania grayana	Others
BXGF04052	Zanthoxylum acutifolium	Zanthoxylum acutifolium	Medicinal Plant
BXGF04071	Archidendron ellipticum	Archidendron ellipticum	Others
BXGF04082	Tabernaemontana divaricata	Tabernaemontana divaricata	Medicinal Plant
BXGF04189	Phymatopteris hastata	Phymatopteris hastata	Others
BXGF04428	Baccharis dracunculifolia	Baccharis dracunculifolia	Medicinal Plant
BXGF05021	tripolium vulgare	tripolium vulgare	Others
BXGF05060	Hedysarum sachalinense	Hedysarum sachalinense	Medicinal Plant
BXGF05091	Quercus laurifolia	Quercus laurifolia	Others
BXGF05106	Geranium collinum	Geranium collinum	Others
BXGF05357	Salvia divaricata	Salvia divaricata	Others
BXGF05384	Polygonatum polyanthemum	Polygonatum polyanthemum	Others
BXGF05512	Micromelum integerrimum	Micromelum integerrimum	Medicinal Plant
BXGF05544	Schlumbergera truncata	Schlumbergera truncata	Others
BXGF05551	Etlingera elatior	Etlingera elatior	Medicinal Plant
BXGF05581	Veronica intercedens	Veronica intercedens	Others
BXGF05607	Chenopodiastrum murale	Chenopodiastrum murale	Medicinal Plant
BXGF05610	Girgensohnia oppositiflora	Girgensohnia oppositiflora	Others
BXGF05619	Euphorbia jaxartica	Euphorbia jaxartica	Others
BXGF05721	Malva rotundifolia	Malva rotundifolia	Medicinal Plant
BXGF05771	Davidsonia pruriens	Davidsonia pruriens	Human Edible Plant
BXGF05839	Centaurea dealbata	Centaurea dealbata	Garden Plant
BXGF05892	Bosistoa floydii	Bosistoa floydii	Others
BXGF05988	Austrobaileya scandens	Austrobaileya scandens	Others
BXGF06065	Aralia hispida	Aralia hispida	Medicinal Plant
BXGF06177	Papaver glaucum	Papaver glaucum	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}