acompound

Showing entry for 4-Gallocatechol

General Compound Information
BXGC Id	BXGC0003008
Compound Name	4-Gallocatechol
Structure
Formula	C15H14O7
InchiKey	XMOCLSLCDHWDHP-DOMZBBRYSA-N
SMILES	O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@H]1C1=CC(O)=C(O)C(O)=C1
Inchi	InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m1/s1
IUPAC	(2S,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Molecular Weight	306.27
Pubchem Id	9882981
Chembl Id	CHEMBL264167

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

50373220

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	BXGT007700	Glucose-6-phosphate 1-dehydrogenase	reviewed		ZWF1	-	>1000000	-	-
reviewed	BXGT010923	6-phosphogluconate dehydrogenase, decarboxylating	reviewed	Enzyme	PGD	-	>1000000	-	-

CHEMBL

CHEMBL264167

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
P11412	BXGT007700	Glucose-6-phosphate 1-dehydrogenase	reviewed	-	ZWF1	IC50	'>'	1000000	nM
Q965D6	BXGT019601	3-oxoacyl-acyl-carrier protein reductase	unreviewed	-	fabG	Activity	-	-	-
P52209	BXGT010923	6-phosphogluconate dehydrogenase, decarboxylating	reviewed	Enzyme	PGD	IC50	'>'	1000000	nM
Q965D5	BXGT019600	Enoyl-acyl-carrier protein reductase	unreviewed	-	fabI	Activity	-	-	-
Q965D7	BXGT019602	Beta-hydroxyacyl-ACP dehydratase	unreviewed	-	fabZ	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00129	Parsnip	Pastinaca sativa	Vegetables
BXGF00151	Pomegranate	Punica granatum	Fruits
BXGF00204	Common grape	Vitis vinifera	Fruits
BXGF00213	European cranberry	Vaccinium oxycoccos	Fruits
BXGF00337	Ginkgo nuts	Ginkgo biloba	Herbs and Spices
BXGF00931	Ipomoea digitata	Ipomoea digitata	Medicinal Plant
BXGF01034	Annona cornifolia	Annona cornifolia	Human Edible Plant
BXGF01174	Salvia syriaca	Salvia syriaca	Others
BXGF01204	Solanum laxum	Solanum laxum	Medicinal Plant
BXGF01357	Ampelopsis japonica	Ampelopsis japonica	Medicinal Plant
BXGF01456	Eucalyptus melliodora	Eucalyptus melliodora	Others
BXGF01555	Scutellaria amoena	Scutellaria amoena	Medicinal Plant
BXGF01597	Senegalia catechu	Senegalia catechu	Medicinal Plant
BXGF01614	Goniothalamus malayanus	Goniothalamus malayanus	Others
BXGF01721	Humulus lupulus	Humulus lupulus	Medicinal Plant
BXGF01834	Lysimachia mauritiana	Lysimachia mauritiana	Others
BXGF01868	Vitex negundo	Vitex negundo	Medicinal Plant
BXGF01883	Swertia franchetiana	Swertia franchetiana	Medicinal Plant
BXGF01989	Helipterum roseum	Helipterum roseum	Others
BXGF02044	Chrysothamnus parryi	Chrysothamnus parryi	Others
BXGF02050	Hedysarum connatum	Hedysarum connatum	Others
BXGF02088	Zanthoxylum tetraspermum	Zanthoxylum tetraspermum	Medicinal Plant
BXGF02125	Artemisia assoana	Artemisia assoana	Others
BXGF02183	Dumortiera hirsuta	Dumortiera hirsuta	Medicinal Plant
BXGF02204	Apocynum venetum	Apocynum venetum	Medicinal Plant
BXGF02246	Lepisorus ussuriensis	Lepisorus ussuriensis	Medicinal Plant
BXGF02295	Alstonia spathulata	Alstonia spathulata	Others
BXGF02326	Phoebe pittieri	Phoebe pittieri	Others
BXGF02361	Hypericum laricifolium	Hypericum laricifolium	Medicinal Plant
BXGF02410	Adiantum lunulatum	Adiantum lunulatum	Medicinal Plant
BXGF02460	Peltostigma guatemalense	Peltostigma guatemalense	Others
BXGF02491	Acacia adunca	Acacia adunca	Others
BXGF02515	Viguiera incana	Viguiera incana	Others
BXGF02529	Astragalus sempervirens	Astragalus sempervirens	Others
BXGF02554	Marrubium anisodon	Marrubium anisodon	Medicinal Plant
BXGF02593	Wikstroemia retusa	Wikstroemia retusa	Others
BXGF02606	Naucleopsis ternstroemiiflora	Naucleopsis ternstroemiiflora	Others
BXGF03947	Rumex maritimus	Rumex maritimus	Medicinal Plant
BXGF04062	Spatholobus suberectus	Spatholobus suberectus	Medicinal Plant
BXGF04209	Chaenomeles sinensis	Chaenomeles sinensis	Medicinal Plant
BXGF04392	Artemisia carvifolia	Artemisia carvifolia	Others
BXGF04607	Morus alba	Morus alba	Medicinal Plant
BXGF04881	Fallopia multiflora	Fallopia multiflora	Medicinal Plant
BXGF04992	Cephalaria uralensis	Cephalaria uralensis	Others
BXGF05187	Calostephane divaricata	Calostephane divaricata	Others
BXGF05215	Geranium sylvaticum	Geranium sylvaticum	Others
BXGF05441	Haplophyllum ferganicum	Haplophyllum ferganicum	Others
BXGF05478	Callicarpa maingayi	Callicarpa maingayi	Others
BXGF05487	Crotalaria aegyptiaca	Crotalaria aegyptiaca	Others
BXGF05578	Aglaia laxiflora	Aglaia laxiflora	Human Edible Plant
BXGF05742	Caragana aurantiaca	Caragana aurantiaca	Others
BXGF05766	Dicoma capensis	Dicoma capensis	Medicinal Plant
BXGF05862	Premna odorata	Premna odorata	Medicinal Plant
BXGF05872	Digitalis isabelliana	Digitalis isabelliana	Others
BXGF05873	Scopolia hladnikiana	Scopolia hladnikiana	Others
BXGF06037	Cotyledon secunda	Cotyledon secunda	Others
BXGF06087	Sonchus ortunoi	Sonchus ortunoi	Others
BXGF06111	Pteris radiata	Pteris radiata	Others
BXGF06174	Styrax ferrugineus	Styrax ferrugineus	Medicinal Plant
BXGF06227	Rauvolfia vomitoria	Rauvolfia vomitoria	Medicinal Plant
BXGF06237	Gnetum latifolium	Gnetum latifolium	Medicinal Plant
BXGF06277	Vincetoxicum hirundinaria	Vincetoxicum hirundinaria	Medicinal Plant
BXGF06323	Euphorbia turczaninowii	Euphorbia turczaninowii	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}