acompound

Showing entry for Pentagalloyl Glucose

General Compound Information
BXGC Id	BXGC0012913
Compound Name	Pentagalloyl Glucose
Structure
Formula	C41H32O26
InchiKey	QJYNZEYHSMRWBK-NIKIMHBISA-N
SMILES	O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1O[C@H](COC(=O)c2cc(O)c(c(c2)O)O)[C@H]([C@@H]([C@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O
Inchi	InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H
IUPAC	[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Molecular Weight	940.12
Pubchem Id	65238
Chembl Id	CHEMBL382408

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

50241052

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	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	-	3760	-	-
reviewed	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	5130	-	-	-
reviewed	BXGT005636	Coagulation factor X	reviewed	Enzyme	F10	-	170	-	-
reviewed	BXGT005636	Coagulation factor X	reviewed	Enzyme	F10	570	-	-	-
reviewed	BXGT005631	Prothrombin	reviewed		F2	-	50	-	-
reviewed	BXGT005631	Prothrombin	reviewed		F2	-	110	-	-
reviewed	BXGT005631	Prothrombin	reviewed		F2	3900	-	-	-
reviewed	BXGT006255	Alpha-amylase 1	reviewed		AMY1A	-	2350	-	-
reviewed	BXGT006255	Alpha-amylase 1	reviewed		AMY1A	2600	-	-	-
reviewed	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed		XDH	-	3200	-	-
reviewed	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	-	4800	-	-
reviewed	BXGT008330	Tyrosine-protein phosphatase non-receptor type 2	reviewed		PTPN2	-	70	-	-
reviewed	BXGT010917	Squalene monooxygenase	reviewed		Sqle	-	470	-	-

CHEMBL

CHEMBL382408

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
P03951	BXGT006117	Coagulation factor XI	reviewed	Enzyme	F11	Inhibition	-	-	-
P00735	BXGT005631	Prothrombin	reviewed	-	F2	IC50	'='	50	nM
P00735	BXGT005631	Prothrombin	reviewed	-	F2	Ki	'='	3900	nM
P03313	BXGT006046	Genome polyprotein	reviewed	-		Inhibition	'='	100	%
Q194T1	BXGT013742	Neuraminidase	unreviewed	-	NA	Inhibition	'='	84	%
P52020	BXGT010917	Squalene monooxygenase	reviewed	-	Sqle	IC50	'='	470	nM
P00735	BXGT005631	Prothrombin	reviewed	-	F2	IC50	'='	110	nM
P00742	BXGT005636	Coagulation factor X	reviewed	Enzyme	F10	Ki	'='	570	nM
Q04759	BXGT012781	Protein kinase C theta type	reviewed	Kinase	PRKCQ	IC50	'='	4000	nM
Q15139	BXGT013546	Serine/threonine-protein kinase D1	reviewed	Kinase	PRKD1	IC50	'='	4000	nM
P24723	BXGT008989	Protein kinase C eta type	reviewed	Kinase	PRKCH	IC50	'='	4000	nM
Q02156	BXGT012639	Protein kinase C epsilon type	reviewed	Kinase	PRKCE	IC50	'='	4000	nM
Q05513	BXGT012820	Protein kinase C zeta type	reviewed	Kinase	PRKCZ	IC50	'='	4000	nM
P05771	BXGT006384	Protein kinase C beta type	reviewed	Kinase	PRKCB	IC50	'='	4000	nM
Q05655	BXGT012832	Protein kinase C delta type	reviewed	Kinase	PRKCD	IC50	'='	4000	nM
P05129	BXGT006322	Protein kinase C gamma type	reviewed	Kinase	PRKCG	IC50	'='	4000	nM
P17252	BXGT008294	Protein kinase C alpha type	reviewed	Kinase	PRKCA	IC50	'='	4000	nM
P41743	BXGT010270	Protein kinase C iota type	reviewed	Kinase	PRKCI	IC50	'='	4000	nM
O94806	BXGT005335	Serine/threonine-protein kinase D3	reviewed	Kinase	PRKD3	IC50	'='	4000	nM
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	IC50	'='	3760	nM
Q72547	BXGT016709	Reverse transcriptase/RNaseH	unreviewed	-	pol	Inhibition	'='	2	%
Q04759	BXGT012781	Protein kinase C theta type	reviewed	Kinase	PRKCQ	Phorbol displacement	'<='	50	uM
Q15139	BXGT013546	Serine/threonine-protein kinase D1	reviewed	Kinase	PRKD1	Phorbol displacement	'<='	50	uM
P24723	BXGT008989	Protein kinase C eta type	reviewed	Kinase	PRKCH	Phorbol displacement	'<='	50	uM
Q02156	BXGT012639	Protein kinase C epsilon type	reviewed	Kinase	PRKCE	Phorbol displacement	'<='	50	uM
P05771	BXGT006384	Protein kinase C beta type	reviewed	Kinase	PRKCB	Phorbol displacement	'<='	50	uM
Q05655	BXGT012832	Protein kinase C delta type	reviewed	Kinase	PRKCD	Phorbol displacement	'<='	50	uM
P05129	BXGT006322	Protein kinase C gamma type	reviewed	Kinase	PRKCG	Phorbol displacement	'<='	50	uM
P17252	BXGT008294	Protein kinase C alpha type	reviewed	Kinase	PRKCA	Phorbol displacement	'<='	50	uM
O94806	BXGT005335	Serine/threonine-protein kinase D3	reviewed	Kinase	PRKD3	Phorbol displacement	'<='	50	uM
Q72547	BXGT016709	Reverse transcriptase/RNaseH	unreviewed	-	pol	Inhibition	'='	0	%
A3EZI9	BXGT001153	Genome polyprotein	unreviewed	-	NS3	IC50	'='	1600	nM
Q194T1	BXGT013742	Neuraminidase	unreviewed	-	NA	IC50	'='	11900	nM
P00742	BXGT005636	Coagulation factor X	reviewed	Enzyme	F10	IC50	'='	170	nM
Q76353	BXGT016849	Integrase	unreviewed	-		IC50	'='	28	ug.mL-1
P80457	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed	-	XDH	IC50	'='	3200	nM
P80457	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed	-	XDH	Activity	'='	2	10'-6M
P80025	BXGT011867	Lactoperoxidase	reviewed	-	LPO	Km	-	-	-
P80025	BXGT011867	Lactoperoxidase	reviewed	-	LPO	Kcat	-	-	-
P58335	BXGT011233	Anthrax toxin receptor 2	reviewed	Receptor	ANTXR2	IC50	'='	300	nM
P04745	BXGT006255	Alpha-amylase 1	reviewed	-	AMY1A	Ki	'='	2600	nM
P03313	BXGT006046	Genome polyprotein	reviewed	-		IC50	'='	1100	nM
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	Ki	'='	5130	nM
P04745	BXGT006255	Alpha-amylase 1	reviewed	-	AMY1A	IC50	'='	2350	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00093	Black walnut	Juglans nigra	Nuts
BXGF00106	Mango	Mangifera indica	Fruits
BXGF00151	Pomegranate	Punica granatum	Fruits
BXGF00852	Triaenophora rupestris	Triaenophora rupestris	Others
BXGF00926	Larix cajanderi	Larix cajanderi	Others
BXGF01010	Sextonia rubra	Sextonia rubra	Others
BXGF01045	Dioscorea japonica	Dioscorea japonica	Medicinal Plant
BXGF01091	Rubus alceifolius	Rubus alceifolius	Human Edible Plant
BXGF01264	Cedrus libani	Cedrus libani	Medicinal Plant
BXGF01297	Justicia paniculata	Justicia paniculata	Medicinal Plant
BXGF01304	Conyza canadensis	Conyza canadensis	Medicinal Plant
BXGF01340	Khaya ivorensis	Khaya ivorensis	Medicinal Plant
BXGF01362	Coreopsis fasciculata	Coreopsis fasciculata	Others
BXGF01425	Craspidospermum verticillatum	Craspidospermum verticillatum	Others
BXGF01426	Cornus officinalis	Cornus officinalis	Medicinal Plant
BXGF01472	Cerinthe minor	Cerinthe minor	Others
BXGF01499	Trilisa odoratissima	Trilisa odoratissima	Medicinal Plant
BXGF01502	Ixeris stolonifera	Ixeris stolonifera	Medicinal Plant
BXGF01535	Cephalaria grossheimii	Cephalaria grossheimii	Others
BXGF01601	Selinum carvifolium	Selinum carvifolium	Others
BXGF01638	Lotus japonicus	Lotus japonicus	Others
BXGF01679	Melaleuca rhaphiophylla	Melaleuca rhaphiophylla	Others
BXGF01708	Narcissus concolor	Narcissus concolor	Others
BXGF01711	Hypericum mysorense	Hypericum mysorense	Medicinal Plant
BXGF01726	Senecio renardii	Senecio renardii	Medicinal Plant
BXGF01760	Hypericum ascyron	Hypericum ascyron	Medicinal Plant
BXGF01789	Aristolochia zollingeriana	Aristolochia zollingeriana	Others
BXGF02044	Chrysothamnus parryi	Chrysothamnus parryi	Others
BXGF02254	Thuja plicata	Thuja plicata	Medicinal Plant
BXGF02274	Mentha gattefossei	Mentha gattefossei	Others
BXGF02294	Bartramia pomiformis	Bartramia pomiformis	Medicinal Plant
BXGF02415	Felicia wrightii	Felicia wrightii	Others
BXGF02502	Magnolia biloba	Magnolia biloba	Medicinal Plant
BXGF02537	Helichrysum cymosum	Helichrysum cymosum	Medicinal Plant
BXGF02678	Litsea lancifolia	Litsea lancifolia	Medicinal Plant
BXGF02707	Leontopodium nanum	Leontopodium nanum	Others
BXGF02736	Larix decidua	Larix decidua	Medicinal Plant
BXGF02762	Aspidosperma olivaceum	Aspidosperma olivaceum	Medicinal Plant
BXGF02829	Strophanthus preussii	Strophanthus preussii	Others
BXGF02857	Agrostis epigeios	Agrostis epigeios	Others
BXGF02905	Meryta lanceolata	Meryta lanceolata	Others
BXGF02970	Crepis foetida	Crepis foetida	Medicinal Plant
BXGF03014	Cirsium japonicum	Cirsium japonicum	Medicinal Plant
BXGF03039	Dorstenia lindeniana	Dorstenia lindeniana	Others
BXGF03059	Dioscoreophyllum cumminsii	Dioscoreophyllum cumminsii	Medicinal Plant
BXGF03121	Phytolacca acinosa	Phytolacca acinosa	Medicinal Plant
BXGF03140	Garcinia hombroniana	Garcinia hombroniana	Medicinal Plant
BXGF03192	Cardiospermum halicacabum	Cardiospermum halicacabum	Medicinal Plant
BXGF03213	Aglaia elaeagnoidea	Aglaia elaeagnoidea	Human Edible Plant
BXGF03230	Ehretia dicksonii	Ehretia dicksonii	Medicinal Plant
BXGF03272	Urtica triangularis	Urtica triangularis	Human Edible Plant
BXGF03320	Pouzolzia occidentalis	Pouzolzia occidentalis	Others
BXGF03344	Centaurea nigrescens	Centaurea nigrescens	Human Edible Plant
BXGF03400	Piper arboreum	Piper arboreum	Medicinal Plant
BXGF03431	Parastrephia lepidophylla	Parastrephia lepidophylla	Others
BXGF03445	Phlogacanthus thyrsiflorus	Phlogacanthus thyrsiflorus	Medicinal Plant
BXGF03455	Euphorbia segetalis	Euphorbia segetalis	Others
BXGF03465	Sidastrum acuminatum	Sidastrum acuminatum	Others
BXGF03480	Syncolostemon parviflorus	Syncolostemon parviflorus	Others
BXGF03488	Paeonia suffruticosa	Paeonia suffruticosa	Medicinal Plant
BXGF03491	Aristolochia elegans	Aristolochia elegans	Others
BXGF03499	Clematis tangutica	Clematis tangutica	Medicinal Plant
BXGF03503	Penstemon secundiflorus	Penstemon secundiflorus	Others
BXGF03541	Cuphea carthagenensis	Cuphea carthagenensis	Others
BXGF03552	Ozoroa insignis	Ozoroa insignis	Medicinal Plant
BXGF03571	Ruta microcarpa	Ruta microcarpa	Medicinal Plant
BXGF03579	Crinum defixum	Crinum defixum	Medicinal Plant
BXGF03677	Cynoglossum germanicum	Cynoglossum germanicum	Others
BXGF03703	Litsea zeylanica	Litsea zeylanica	Medicinal Plant
BXGF03742	Zanthoxylum monophyllum	Zanthoxylum monophyllum	Others
BXGF03807	Centaurea squarrosa	Centaurea squarrosa	Others
BXGF04014	Litsea rotundifolia	Litsea rotundifolia	Others
BXGF04079	Senna siamea	Senna siamea	Medicinal Plant
BXGF04094	Virola multinervia	Virola multinervia	Medicinal Plant
BXGF04125	Leonurus sibiricus	Leonurus sibiricus	Medicinal Plant
BXGF04177	Cordylanthus kingii	Cordylanthus kingii	Others
BXGF04392	Artemisia carvifolia	Artemisia carvifolia	Others
BXGF04401	Annona impressivenia	Annona impressivenia	Others
BXGF04728	Alseodaphne corneri	Alseodaphne corneri	Others
BXGF04730	Thymus piperella	Thymus piperella	Human Edible Plant
BXGF04739	Forsteronia refracta	Forsteronia refracta	Others
BXGF04742	Eragrostis viscosa	Eragrostis viscosa	Medicinal Plant
BXGF04743	Plectranthus fruticosus	Plectranthus fruticosus	Medicinal Plant
BXGF04747	Nauclea officinalis	Nauclea officinalis	Medicinal Plant
BXGF04748	Holocarpha obconica	Holocarpha obconica	Others
BXGF04753	Grewia mollis	Grewia mollis	Medicinal Plant
BXGF04756	Astragalus gummifer	Astragalus gummifer	Medicinal Plant
BXGF04765	Heterotheca grandiflora	Heterotheca grandiflora	Others
BXGF04771	Croton cumingii	Croton cumingii	Medicinal Plant
BXGF04775	Bersama yangambiensis	Bersama yangambiensis	Others
BXGF04783	Ruta pinnata	Ruta pinnata	Medicinal Plant
BXGF04791	Zanthoxylum americanum	Zanthoxylum americanum	Medicinal Plant
BXGF04795	Disynaphia halimifolia	Disynaphia halimifolia	Others
BXGF04821	Kaunia saltensis	Kaunia saltensis	Others
BXGF04824	Carya tonkinensis	Carya tonkinensis	Human Edible Plant
BXGF04826	Heliotropium floridum	Heliotropium floridum	Others
BXGF04835	Castanopsis sclerophylla	Castanopsis sclerophylla	Medicinal Plant
BXGF04839	Gymnocarpium robertianum	Gymnocarpium robertianum	Others
BXGF04846	Oncoba echinata	Oncoba echinata	Others
BXGF04851	Salvia dorrii	Salvia dorrii	Others
BXGF04858	Teucrium depressum	Teucrium depressum	Others
BXGF04866	Aconitum nevadense	Aconitum nevadense	Others
BXGF04871	Trichilia rubescens	Trichilia rubescens	Others
BXGF04874	Conocephalum japonicum	Conocephalum japonicum	Others
BXGF04875	Bupleurum chinense	Bupleurum chinense	Medicinal Plant
BXGF04880	Hovenia acerba	Hovenia acerba	Medicinal Plant
BXGF04885	Stevia polycephala	Stevia polycephala	Others
BXGF04887	Plantago indica	Plantago indica	Others
BXGF04890	Triglochin maritima	Triglochin maritima	Medicinal Plant
BXGF04893	Sophora angustifolia	Sophora angustifolia	Others
BXGF04901	Kaempferia marginata	Kaempferia marginata	Medicinal Plant
BXGF04903	Argusia argentea	Argusia argentea	Human Edible Plant
BXGF04992	Cephalaria uralensis	Cephalaria uralensis	Others
BXGF05015	Balanophora involucrata	Balanophora involucrata	Medicinal Plant
BXGF05064	Fridericia chica	Fridericia chica	Medicinal Plant
BXGF05094	Lupinus verbasciformis	Lupinus verbasciformis	Others
BXGF05215	Geranium sylvaticum	Geranium sylvaticum	Others
BXGF05245	Doodia picta	Doodia picta	Others
BXGF05367	Toxicodendron vernicifluum	Toxicodendron vernicifluum	Medicinal Plant
BXGF05441	Haplophyllum ferganicum	Haplophyllum ferganicum	Others
BXGF05478	Callicarpa maingayi	Callicarpa maingayi	Others
BXGF05487	Crotalaria aegyptiaca	Crotalaria aegyptiaca	Others
BXGF05520	Euphorbia humifusa	Euphorbia humifusa	Medicinal Plant
BXGF05578	Aglaia laxiflora	Aglaia laxiflora	Human Edible Plant
BXGF05600	Aframomum amaniense	Aframomum amaniense	Others
BXGF05640	Phedimus kamtschaticus	Phedimus kamtschaticus	Medicinal Plant
BXGF05714	Khaya senegalensis	Khaya senegalensis	Medicinal Plant
BXGF05766	Dicoma capensis	Dicoma capensis	Medicinal Plant
BXGF05795	Nama hispidum	Nama hispidum	Others
BXGF05872	Digitalis isabelliana	Digitalis isabelliana	Others
BXGF05873	Scopolia hladnikiana	Scopolia hladnikiana	Others
BXGF05900	Beilschmiedia anacardioides	Beilschmiedia anacardioides	Medicinal Plant
BXGF06087	Sonchus ortunoi	Sonchus ortunoi	Others
BXGF06111	Pteris radiata	Pteris radiata	Others
BXGF06174	Styrax ferrugineus	Styrax ferrugineus	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}