acompound

Showing entry for Epicatechin

General Compound Information
BXGC Id	BXGC0001873
Compound Name	Epicatechin
Structure
Formula	C15H14O6
InchiKey	PFTAWBLQPZVEMU-ZFWWWQNUSA-N
SMILES	O[C@H]1CC2=C(O[C@H]1C1=CC=C(O)C(O)=C1)C=C(O)C=C2O
Inchi	InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m0/s1
IUPAC	(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Molecular Weight	290.27
Pubchem Id	182232
Chembl Id	CHEMBL129482

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

50135167

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	BXGT006400	Prostaglandin G/H synthase 1	reviewed		PTGS1	-	12800	-	-
reviewed	BXGT006400	Prostaglandin G/H synthase 1	reviewed		PTGS1	-	-	25100	-
reviewed	BXGT010694	Fatty acid synthase	reviewed	Enzyme	FASN	-	>1000000	-	-
reviewed	BXGT006400	Prostaglandin G/H synthase 1	reviewed		PTGS1	-	2500	-	-

CHEMBL

CHEMBL129482

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
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'>'	100000	nM
P05979	BXGT006400	Prostaglandin G/H synthase 1	reviewed	-	PTGS1	Activity	-	-	-
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	Activity	-	-	-
P41143	BXGT010223	Delta-type opioid receptor	reviewed	G-protein coupled receptor	OPRD1	Ke	'='	2170	nM
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	IC50	'='	23000	nM
Q965D5	BXGT019600	Enoyl-acyl-carrier protein reductase	unreviewed	-	fabI	Activity	-	-	-
P05979	BXGT006400	Prostaglandin G/H synthase 1	reviewed	-	PTGS1	IC50	'='	12800	nM
Q965D6	BXGT019601	3-oxoacyl-acyl-carrier protein reductase	unreviewed	-	fabG	Activity	-	-	-
P05979	BXGT006400	Prostaglandin G/H synthase 1	reviewed	-	PTGS1	Activity	'='	5	%
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	IC50	'='	28000	nM
Q965D7	BXGT019602	Beta-hydroxyacyl-ACP dehydratase	unreviewed	-	fabZ	Activity	-	-	-
P41145	BXGT010225	Kappa-type opioid receptor	reviewed	G-protein coupled receptor	OPRK1	Ke	'='	5810	nM
P49327	BXGT010694	Fatty acid synthase	reviewed	Enzyme	FASN	IC50	'>'	1000000	nM
P05979	BXGT006400	Prostaglandin G/H synthase 1	reviewed	-	PTGS1	IC50	'='	2500	nM
P05979	BXGT006400	Prostaglandin G/H synthase 1	reviewed	-	PTGS1	Kd	'='	25100	nM
P35372	BXGT009823	Mu-type opioid receptor	reviewed	G-protein coupled receptor	OPRM1	Ke	'='	3020	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00004	Kiwi	Actinidia chinensis	Fruits
BXGF00011	Cashew nut	Anacardium occidentale	Nuts
BXGF00014	Custard apple	Annona reticulata	Fruits
BXGF00023	Star fruit	Averrhoa carambola	Fruits
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00044	Pecan nut	Carya illinoinensis	Nuts
BXGF00046	Roman camomile	Chamaemelum nobile	Herbs and Spices
BXGF00050	Chinese cinnamon	Cinnamomum aromaticum	Herbs and Spices
BXGF00051	Ceylon cinnamon	Cinnamomum verum	Herbs and Spices
BXGF00062	Common hazelnut	Corylus avellana	Nuts
BXGF00069	Quince	Cydonia oblonga	Fruits
BXGF00076	Loquat	Eriobotrya japonica	Fruits
BXGF00079	Common buckwheat	Fagopyrum esculentum	Cereals and cereal products
BXGF00081	Fig	Ficus carica	Fruits
BXGF00083	Strawberry	Fragaria X ananassa	Fruits
BXGF00087	Sea-buckthornberry	Hippophae rhamnoides	Fruits
BXGF00097	Sweet bay	Laurus nobilis	Herbs and Spices
BXGF00098	Lentils	Lens culinaris	Pulses
BXGF00103	Lichee	Litchi chinensis	Fruits
BXGF00105	Apple	Malus pumila	Fruits
BXGF00107	German camomile	Matricaria recutita	Herbs and Spices
BXGF00114	Medlar	Mespilus germanica	Fruits
BXGF00118	Nutmeg	Myristica fragrans	Herbs and Spices
BXGF00130	Avocado	Persea americana	Vegetables
BXGF00134	Common bean	Phaseolus vulgaris	Pulses
BXGF00140	Pistachio	Pistacia vera	Nuts
BXGF00141	Common pea	Pisum sativum	Pulses
BXGF00142	Purslane	Portulaca oleracea	Herbs and Spices
BXGF00144	Apricot	Prunus armeniaca	Fruits
BXGF00145	Sweet cherry	Prunus avium	Fruits
BXGF00146	Sour cherry	Prunus cerasus	Fruits
BXGF00147	European plum	Prunus domestica	Fruits
BXGF00148	Almond	Prunus dulcis	Nuts
BXGF00151	Pomegranate	Punica granatum	Fruits
BXGF00152	Pear	Pyrus communis	Fruits
BXGF00154	Garden rhubarb	Rheum rhabarbarum	Vegetables
BXGF00155	Blackcurrant	Ribes nigrum	Fruits
BXGF00156	Redcurrant	Ribes rubrum	Fruits
BXGF00160	Rubus (Blackberry, Raspberry)	Rubus	Fruits
BXGF00161	Cloudberry	Rubus chamaemorus	Fruits
BXGF00162	Red raspberry	Rubus idaeus	Fruits
BXGF00180	Tamarind	Tamarindus indica	Fruits
BXGF00182	Cocoa bean	Theobroma cacao	Cocoa and cocoa products
BXGF00183	Common thyme	Thymus vulgaris	Herbs and Spices
BXGF00191	Highbush blueberry	Vaccinium corymbosum	Fruits
BXGF00192	American cranberry	Vaccinium macrocarpon	Fruits
BXGF00193	Bilberry	Vaccinium myrtillus	Fruits
BXGF00194	Lingonberry	Vaccinium vitis-idaea	Fruits
BXGF00197	Broad bean	Vicia faba	Pulses
BXGF00198	Adzuki bean	Vigna angularis	Pulses
BXGF00201	Climbing bean	Vigna umbellata	Pulses
BXGF00204	Common grape	Vitis vinifera	Fruits
BXGF00206	Ginger	Zingiber officinale	Herbs and Spices
BXGF00208	Banana	Musa acuminata	Fruits
BXGF00213	European cranberry	Vaccinium oxycoccos	Fruits
BXGF00218	Longan	Dimocarpus longan	Fruits
BXGF00221	Fox grape	Vitis labrusca	Fruits
BXGF00222	Nectarine	Prunus persica var. nucipersica	Fruits
BXGF00223	Peach (var.)	Prunus persica var. persica	Fruits
BXGF00248	Beer		Beverages
BXGF00296	Carob	Ceratonia siliqua	Vegetables
BXGF00337	Ginkgo nuts	Ginkgo biloba	Herbs and Spices
BXGF00369	Sacred lotus	Nelumbo nucifera	Vegetables
BXGF00373	Purple mangosteen	Garcinia mangostana	Fruits
BXGF00421	Sapodilla	Manilkara zapota	Fruits
BXGF00570	Grape wine		Beverages
BXGF00572	Apple cider		Beverages
BXGF00585	Vinegar		Baking goods
BXGF00589	Sherry		Beverages
BXGF00641	Cocoa powder		Cocoa and cocoa products
BXGF00642	Chocolate		Cocoa and cocoa products
BXGF00643	Hot chocolate		Cocoa and cocoa products
BXGF00728	Cupuaçu	Theobroma grandiflorum	Herbs and Spices
BXGF00806	Alcoholic beverages		Beverages
BXGF00823	Fruits		Fruits
BXGF00824	Green vegetables		Vegetables
BXGF00834	Yellow wax bean	Phaseolus vulgaris	Pulses
BXGF00835	Green bean	Phaseolus vulgaris	Pulses
BXGF00886	Abutilon theophrasti	Abutilon theophrasti	Medicinal Plant
BXGF01036	Sargentodoxa cuneata	Sargentodoxa cuneata	Medicinal Plant
BXGF01074	Centella asiatica	Centella asiatica	Medicinal Plant
BXGF01126	Polygonum cuspidatum	Polygonum cuspidatum	Medicinal Plant
BXGF01185	Aloe vera	Aloe vera	Medicinal Plant
BXGF01283	Crataegus pinnatifida	Crataegus pinnatifida	Medicinal Plant
BXGF01325	Murraya exotica	Murraya exotica	Medicinal Plant
BXGF01357	Ampelopsis japonica	Ampelopsis japonica	Medicinal Plant
BXGF01506	Thymus quinquecostatus	Thymus quinquecostatus	Medicinal Plant
BXGF01597	Senegalia catechu	Senegalia catechu	Medicinal Plant
BXGF01721	Humulus lupulus	Humulus lupulus	Medicinal Plant
BXGF01743	Uncaria macrophylla	Uncaria macrophylla	Medicinal Plant
BXGF01767	Uncaria rhynchophylla	Uncaria rhynchophylla	Medicinal Plant
BXGF01823	Houttuynia cordata	Houttuynia cordata	Medicinal Plant
BXGF01868	Vitex negundo	Vitex negundo	Medicinal Plant
BXGF01896	Lilium brownii	Lilium brownii	Medicinal Plant
BXGF01900	Aloe ferox	Aloe ferox	Medicinal Plant
BXGF01954	Amomum tsao-ko	Amomum tsao-ko	Human Edible Plant
BXGF01959	Cissus quinquefolia	Cissus quinquefolia	Others
BXGF02204	Apocynum venetum	Apocynum venetum	Medicinal Plant
BXGF02214	Morus bombycis	Morus bombycis	Medicinal Plant
BXGF02359	Eucommia ulmoides	Eucommia ulmoides	Medicinal Plant
BXGF02604	Agrimonia pilosa	Agrimonia pilosa	Medicinal Plant
BXGF02642	Vigna umbeuata	Vigna umbeuata	Others
BXGF02711	Ligularia dentata	Ligularia dentata	Medicinal Plant
BXGF03110	Gleditsia sinensis	Gleditsia sinensis	Medicinal Plant
BXGF03158	Rheum officinale	Rheum officinale	Medicinal Plant
BXGF03398	Solanum nigrum	Solanum nigrum	Medicinal Plant
BXGF03556	Actinidia chinensis planch	Actinidia chinensis planch	Others
BXGF03693	Aster koraiensis	Aster koraiensis	Medicinal Plant
BXGF03766	Drynaria fortunei	Drynaria fortunei	Medicinal Plant
BXGF03965	Orostachys japonicus	Orostachys japonicus	Others
BXGF03988	Rheum coreanum	Rheum coreanum	Others
BXGF04053	Smilax china	Smilax china	Medicinal Plant
BXGF04062	Spatholobus suberectus	Spatholobus suberectus	Medicinal Plant
BXGF04064	Rumex japonicus	Rumex japonicus	Medicinal Plant
BXGF04194	Fagopyrum dibotrys	Fagopyrum dibotrys	Medicinal Plant
BXGF04200	Euphorbia hirta	Euphorbia hirta	Medicinal Plant
BXGF04209	Chaenomeles sinensis	Chaenomeles sinensis	Medicinal Plant
BXGF04278	Casimiroa tetrameria	Casimiroa tetrameria	Medicinal Plant
BXGF04315	Orostachys fimbriata	Orostachys fimbriata	Others
BXGF04361	Cynomorium songaricum	Cynomorium songaricum	Medicinal Plant
BXGF04382	Murraya paniculata	Murraya paniculata	Medicinal Plant
BXGF04539	Rheum palmatum	Rheum palmatum	Medicinal Plant
BXGF04607	Morus alba	Morus alba	Medicinal Plant
BXGF04631	Aloe spicata	Aloe spicata	Medicinal Plant
BXGF04712	Prunus mume	Prunus mume	Medicinal Plant
BXGF04750	Scutellaria baicalensis	Scutellaria baicalensis	Medicinal Plant
BXGF04864	Uncaria sinensis	Uncaria sinensis	Medicinal Plant
BXGF04881	Fallopia multiflora	Fallopia multiflora	Medicinal Plant
BXGF04886	Boehmeria nivea	Boehmeria nivea	Medicinal Plant
BXGF04909	Hippophae fructus	Hippophae fructus	Others
BXGF04926	Aloe africana	Aloe africana	Medicinal Plant
BXGF05160	Chaenomeles speciosa	Chaenomeles speciosa	Medicinal Plant
BXGF05169	Senecio sinuatus	Senecio sinuatus	Others
BXGF05269	Hypericum perforatum	Hypericum perforatum	Medicinal Plant
BXGF05274	Lilium lancifolium	Lilium lancifolium	Medicinal Plant
BXGF05348	Colchicum speciosum	Colchicum speciosum	Others
BXGF05442	Zanthoxylum bungeanum	Zanthoxylum bungeanum	Medicinal Plant
BXGF05524	Rumex nepalensis	Rumex nepalensis	Medicinal Plant
BXGF05571	Ziziphus jujuba	Ziziphus jujuba	Medicinal Plant
BXGF05612	Solanum giganteum	Solanum giganteum	Medicinal Plant
BXGF05675	Licania pittieri	Licania pittieri	Others
BXGF05787	Smilax glabra	Smilax glabra	Medicinal Plant
BXGF05831	Rosa laevigata	Rosa laevigata	Medicinal Plant
BXGF05876	Gleditsia japonica	Gleditsia japonica	Medicinal Plant
BXGF05877	Rheum tanguticum	Rheum tanguticum	Medicinal Plant
BXGF05931	Lilium pumilum	Lilium pumilum	Medicinal Plant
BXGF06070	Perilla frutescens	Perilla frutescens	Medicinal Plant
BXGF06075	Zanthoxylum schinifolium	Zanthoxylum schinifolium	Medicinal Plant
BXGF06213	Heliomeris multiflora	Heliomeris multiflora	Others
BXGF06214	Uncaria gambir	Uncaria gambir	Medicinal Plant
BXGF06228	Ixeris tamagawaensis	Ixeris tamagawaensis	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}