acompound

Showing entry for Gallocatechin

General Compound Information
BXGC Id	BXGC0009552
Compound Name	Gallocatechin
Structure
Formula	C15H14O7
InchiKey	XMOCLSLCDHWDHP-SWLSCSKDSA-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+/m0/s1
IUPAC	(2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Molecular Weight	306.27
Pubchem Id	65084
Chembl Id	CHEMBL125743

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

50135165

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	BXGT013634	Mitogen-activated protein kinase 14	reviewed	Kinase	MAPK14	-	3530	-	-
reviewed	BXGT011014	Mitogen-activated protein kinase 10	reviewed	Kinase	MAPK10	-	5300	-	-
reviewed	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	-	95000	-	-

CHEMBL

CHEMBL125743

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
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	Inhibition	'='	46	%
P23219	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	IC50	'='	95000	nM
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	IC50	'='	2500	nM
P10415	BXGT007567	Apoptosis regulator Bcl-2	reviewed	Signaling	BCL2	Ki	'>'	100000	nM

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
BXGF00045	Chestnut	Castanea	Nuts
BXGF00073	Japanese persimmon	Diospyros kaki	Fruits
BXGF00083	Strawberry	Fragaria X ananassa	Fruits
BXGF00088	Barley	Hordeum vulgare	Cereals and cereal products
BXGF00097	Sweet bay	Laurus nobilis	Herbs and Spices
BXGF00098	Lentils	Lens culinaris	Pulses
BXGF00142	Purslane	Portulaca oleracea	Herbs and Spices
BXGF00150	Guava	Psidium guajava	Fruits
BXGF00151	Pomegranate	Punica granatum	Fruits
BXGF00155	Blackcurrant	Ribes nigrum	Fruits
BXGF00156	Redcurrant	Ribes rubrum	Fruits
BXGF00157	Gooseberry	Ribes uva-crispa	Fruits
BXGF00182	Cocoa bean	Theobroma cacao	Cocoa and cocoa products
BXGF00183	Common thyme	Thymus vulgaris	Herbs and Spices
BXGF00193	Bilberry	Vaccinium myrtillus	Fruits
BXGF00194	Lingonberry	Vaccinium vitis-idaea	Fruits
BXGF00197	Broad bean	Vicia faba	Pulses
BXGF00198	Adzuki bean	Vigna angularis	Pulses
BXGF00199	Gram bean	Vigna mungo	Pulses
BXGF00200	Mung bean	Vigna radiata	Pulses
BXGF00204	Common grape	Vitis vinifera	Fruits
BXGF00315	Cottonseed	Gossypium	Herbs and Spices
BXGF00337	Ginkgo nuts	Ginkgo biloba	Herbs and Spices
BXGF00421	Sapodilla	Manilkara zapota	Fruits
BXGF00570	Grape wine		Beverages
BXGF00729	Shea tree	Vitellaria paradoxa	Herbs and Spices
BXGF00787	Yellow pond-lily	Nuphar lutea	Herbs and Spices
BXGF00819	Pulses		Pulses
BXGF00823	Fruits		Fruits
BXGF00924	Phoenix loureiroi	Phoenix loureiroi	Medicinal Plant
BXGF00968	Thalictrum longistylum	Thalictrum longistylum	Medicinal Plant
BXGF01043	Acanthospermum glabratum	Acanthospermum glabratum	Medicinal Plant
BXGF01142	Arum alpinum	Arum alpinum	Others
BXGF01181	Atylosia trinervia	Atylosia trinervia	Others
BXGF01219	Salvia parryi	Salvia parryi	Others
BXGF01222	Ocimum tenuiflorum	Ocimum tenuiflorum	Medicinal Plant
BXGF01232	Vateria indica	Vateria indica	Medicinal Plant
BXGF01272	Iris ensata	Iris ensata	Medicinal Plant
BXGF01286	Artemisia incanescens	Artemisia incanescens	Others
BXGF01332	Perriera orientalis	Perriera orientalis	Others
BXGF01374	Balanops australiana	Balanops australiana	Others
BXGF01516	Petasites georgicus	Petasites georgicus	Others
BXGF01597	Senegalia catechu	Senegalia catechu	Medicinal Plant
BXGF01652	Ichthyothere latifolia	Ichthyothere latifolia	Others
BXGF01676	Scrophularia umbrosa	Scrophularia umbrosa	Medicinal Plant
BXGF01721	Humulus lupulus	Humulus lupulus	Medicinal Plant
BXGF01742	Solanum sublobatum	Solanum sublobatum	Others
BXGF01830	Swertia pseudochinensis	Swertia pseudochinensis	Medicinal Plant
BXGF01868	Vitex negundo	Vitex negundo	Medicinal Plant
BXGF01933	Piptocarpha oblonga	Piptocarpha oblonga	Others
BXGF02137	Goniothalamus amuyon	Goniothalamus amuyon	Medicinal Plant
BXGF02204	Apocynum venetum	Apocynum venetum	Medicinal Plant
BXGF02274	Mentha gattefossei	Mentha gattefossei	Others
BXGF02322	Gardenia turgida	Gardenia turgida	Medicinal Plant
BXGF02375	Helianthus maximiliani	Helianthus maximiliani	Medicinal Plant
BXGF02415	Felicia wrightii	Felicia wrightii	Others
BXGF02471	Cassia kleinii	Cassia kleinii	Others
BXGF02502	Magnolia biloba	Magnolia biloba	Medicinal Plant
BXGF02505	Pinus sylvestris	Pinus sylvestris	Medicinal Plant
BXGF02537	Helichrysum cymosum	Helichrysum cymosum	Medicinal Plant
BXGF02678	Litsea lancifolia	Litsea lancifolia	Medicinal Plant
BXGF02728	Ageratina dendroides	Ageratina dendroides	Others
BXGF02762	Aspidosperma olivaceum	Aspidosperma olivaceum	Medicinal Plant
BXGF02802	Araiostegiella perdurans	Araiostegiella perdurans	Others
BXGF02863	Bromelia plumieri	Bromelia plumieri	Human Edible Plant
BXGF02905	Meryta lanceolata	Meryta lanceolata	Others
BXGF02989	Turpinia ternata	Turpinia ternata	Medicinal Plant
BXGF03109	Cneoridium dumosum	Cneoridium dumosum	Others
BXGF03178	Cryptocarya alba	Cryptocarya alba	Human Edible Plant
BXGF03361	Alyxia reinwardtii	Alyxia reinwardtii	Medicinal Plant
BXGF03362	Stereospermum cylindricum	Stereospermum cylindricum	Medicinal Plant
BXGF03461	Microtropis fokienensis	Microtropis fokienensis	Others
BXGF03476	Hylocomium splendens	Hylocomium splendens	Others
BXGF03497	Excoecaria agallocha	Excoecaria agallocha	Medicinal Plant
BXGF03546	Pseudofumaria lutea	Pseudofumaria lutea	Others
BXGF03658	Centaurea linifolia	Centaurea linifolia	Others
BXGF03726	Serratula inermis	Serratula inermis	Others
BXGF03754	Sapindus emarginatus	Sapindus emarginatus	Medicinal Plant
BXGF03763	Millettia laurentii	Millettia laurentii	Medicinal Plant
BXGF03765	Alcea rosea	Alcea rosea	Medicinal Plant
BXGF03788	Cornus kousa	Cornus kousa	Medicinal Plant
BXGF03804	Machilus macrantha	Machilus macrantha	Medicinal Plant
BXGF03832	Alangium grisolleoides	Alangium grisolleoides	Others
BXGF03973	Cyperus papyrus	Cyperus papyrus	Medicinal Plant
BXGF03982	Maytenus retusa	Maytenus retusa	Others
BXGF04033	Sabal blackburniana	Sabal blackburniana	Others
BXGF04062	Spatholobus suberectus	Spatholobus suberectus	Medicinal Plant
BXGF04302	Lachnophyllum gossypinum	Lachnophyllum gossypinum	Others
BXGF04345	Uvaria griffithii	Uvaria griffithii	Others
BXGF04349	Monodora tenuifolia	Monodora tenuifolia	Human Edible Plant
BXGF04451	Pteris cretica var. nervosa	Pteris cretica var. nervosa	Garden Plant
BXGF04556	Xyris pterygoblephara	Xyris pterygoblephara	Others
BXGF04607	Morus alba	Morus alba	Medicinal Plant
BXGF04659	Phyllanthus emblica	Phyllanthus emblica	Medicinal Plant
BXGF04736	Capnoides sempervirens	Capnoides sempervirens	Others
BXGF04881	Fallopia multiflora	Fallopia multiflora	Medicinal Plant
BXGF04896	Kokoona reflexa	Kokoona reflexa	Others
BXGF04948	Combretum quadrangulare	Combretum quadrangulare	Medicinal Plant
BXGF04965	Dimorphotheca aurantiaca	Dimorphotheca aurantiaca	Others
BXGF05083	Viguiera decurrens	Viguiera decurrens	Medicinal Plant
BXGF05145	Sideritis brevibracteata	Sideritis brevibracteata	Human Edible Plant
BXGF05184	Maesa ramentacea	Maesa ramentacea	Medicinal Plant
BXGF05242	Euphorbia cornigera	Euphorbia cornigera	Others
BXGF05244	Elephantopus mollis	Elephantopus mollis	Medicinal Plant
BXGF05295	Gomortega keule	Gomortega keule	Human Edible Plant
BXGF05368	Salvia yosgadensis	Salvia yosgadensis	Others
BXGF05389	Limonium gmelinii	Limonium gmelinii	Medicinal Plant
BXGF05428	Sideroxylon cubense	Sideroxylon cubense	Others
BXGF05452	Othonna dentata	Othonna dentata	Others
BXGF05517	Quercus robur	Quercus robur	Medicinal Plant
BXGF05583	Acacia mearnsii	Acacia mearnsii	Medicinal Plant
BXGF05654	Pinus strobus	Pinus strobus	Medicinal Plant
BXGF05684	Neorautanenia ficifolia	Neorautanenia ficifolia	Others
BXGF05696	Zephyranthes sulphurea	Zephyranthes sulphurea	Others
BXGF05730	Alpinia blepharocalyx	Alpinia blepharocalyx	Medicinal Plant
BXGF05764	Eucalyptus jenseni	Eucalyptus jenseni	Others
BXGF05776	Picea mariana	Picea mariana	Medicinal Plant
BXGF05828	Viguiera oblongifolia	Viguiera oblongifolia	Others
BXGF05869	Salacia lehmbachii	Salacia lehmbachii	Medicinal Plant
BXGF05954	Pluchea odorata	Pluchea odorata	Others
BXGF06033	Euonymus tingens	Euonymus tingens	Medicinal Plant
BXGF06034	Viburnum urceolatum	Viburnum urceolatum	Others
BXGF06064	Strychnos erichsonii	Strychnos erichsonii	Human Edible Plant
BXGF06088	Euryops algoensis	Euryops algoensis	Others
BXGF06096	Artemisia schimperi	Artemisia schimperi	Others
BXGF06131	Fagus grandifolia	Fagus grandifolia	Medicinal Plant
BXGF06204	Mitragyna inermis	Mitragyna inermis	Medicinal Plant
BXGF06238	Gardenia jasminoides	Gardenia jasminoides	Medicinal Plant
BXGF06263	Litsea pungens	Litsea pungens	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}