acompound

Showing entry for Corilagin

General Compound Information
BXGC Id	BXGC0003772
Compound Name	Corilagin
Structure
Formula	C27H22O18
InchiKey	TUSDEZXZIZRFGC-XIGLUPEJSA-N
SMILES	O[C@@H]1[C@H]2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)O[C@@H]1[C@@H](O)[C@H](OC(=O)C1=CC(O)=C(O)C(O)=C1)O2
Inchi	InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23+,27+/m1/s1
IUPAC	(1S,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.0^{4,9}.0^{10,15}]tricosa-4,6,8,10,12,14-hexaen-21-yl 3,4,5-trihydroxybenzoate
Molecular Weight	634.45
Pubchem Id	73568
Chembl Id	CHEMBL449392

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

50242279

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	BXGT010917	Squalene monooxygenase	reviewed		Sqle	-	4000	-	-
reviewed	BXGT007849	Angiotensin-converting enzyme	reviewed	Enzyme	ACE	-	3700000	-	-
reviewed	BXGT007696	DNA topoisomerase 1	reviewed	Enzyme	TOP1	-	40000	-	-

CHEMBL

CHEMBL449392

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
P11387	BXGT007696	DNA topoisomerase 1	reviewed	Enzyme	TOP1	IC50	'='	40000	nM
P12821	BXGT007849	Angiotensin-converting enzyme	reviewed	Enzyme	ACE	IC50	'='	3700000	nM
P52020	BXGT010917	Squalene monooxygenase	reviewed	-	Sqle	IC50	'='	4000	nM
Q04759	BXGT012781	Protein kinase C theta type	reviewed	Kinase	PRKCQ	Phorbol displacement	-	-	-
Q15139	BXGT013546	Serine/threonine-protein kinase D1	reviewed	Kinase	PRKD1	Phorbol displacement	-	-	-
P24723	BXGT008989	Protein kinase C eta type	reviewed	Kinase	PRKCH	Phorbol displacement	-	-	-
Q02156	BXGT012639	Protein kinase C epsilon type	reviewed	Kinase	PRKCE	Phorbol displacement	-	-	-
P05771	BXGT006384	Protein kinase C beta type	reviewed	Kinase	PRKCB	Phorbol displacement	-	-	-
Q05655	BXGT012832	Protein kinase C delta type	reviewed	Kinase	PRKCD	Phorbol displacement	-	-	-
P05129	BXGT006322	Protein kinase C gamma type	reviewed	Kinase	PRKCG	Phorbol displacement	-	-	-
P17252	BXGT008294	Protein kinase C alpha type	reviewed	Kinase	PRKCA	Phorbol displacement	-	-	-
O94806	BXGT005335	Serine/threonine-protein kinase D3	reviewed	Kinase	PRKD3	Phorbol displacement	-	-	-
Q72547	BXGT016709	Reverse transcriptase/RNaseH	unreviewed	-	pol	Inhibition	'='	57	%
P09217	BXGT006872	Protein kinase C zeta type	reviewed	-	Prkcz	IC50	'='	20000	nM
Q9WTQ0	BXGT021929	Protein kinase C theta type	reviewed	-	Prkcq	IC50	'='	20000	nM
Q64617	BXGT016127	Protein kinase C eta type	reviewed	-	Prkch	IC50	'='	20000	nM
P09215	BXGT006870	Protein kinase C delta type	reviewed	-	Prkcd	IC50	'='	20000	nM
P63319	BXGT011518	Protein kinase C gamma type	reviewed	-	Prkcg	IC50	'='	20000	nM
P09216	BXGT006871	Protein kinase C epsilon type	reviewed	-	Prkce	IC50	'='	20000	nM
P68403	BXGT011600	Protein kinase C beta type	reviewed	-	Prkcb	IC50	'='	20000	nM
P05696	BXGT006379	Protein kinase C alpha type	reviewed	-	Prkca	IC50	'='	20000	nM
Q04759	BXGT012781	Protein kinase C theta type	reviewed	Kinase	PRKCQ	IC50	'='	20000	nM
Q15139	BXGT013546	Serine/threonine-protein kinase D1	reviewed	Kinase	PRKD1	IC50	'='	20000	nM
P24723	BXGT008989	Protein kinase C eta type	reviewed	Kinase	PRKCH	IC50	'='	20000	nM
Q02156	BXGT012639	Protein kinase C epsilon type	reviewed	Kinase	PRKCE	IC50	'='	20000	nM
Q05513	BXGT012820	Protein kinase C zeta type	reviewed	Kinase	PRKCZ	IC50	'='	20000	nM
P05771	BXGT006384	Protein kinase C beta type	reviewed	Kinase	PRKCB	IC50	'='	20000	nM
Q05655	BXGT012832	Protein kinase C delta type	reviewed	Kinase	PRKCD	IC50	'='	20000	nM
P05129	BXGT006322	Protein kinase C gamma type	reviewed	Kinase	PRKCG	IC50	'='	20000	nM
P17252	BXGT008294	Protein kinase C alpha type	reviewed	Kinase	PRKCA	IC50	'='	20000	nM
P41743	BXGT010270	Protein kinase C iota type	reviewed	Kinase	PRKCI	IC50	'='	20000	nM
O94806	BXGT005335	Serine/threonine-protein kinase D3	reviewed	Kinase	PRKD3	IC50	'='	20000	nM
P34913	BXGT009770	Bifunctional epoxide hydrolase 2	reviewed	Enzyme	EPHX2	Inhibition	'>'	40	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00151	Pomegranate	Punica granatum	Fruits
BXGF00218	Longan	Dimocarpus longan	Fruits
BXGF00224	Rambutan	Nephelium lappaceum	Fruits
BXGF00852	Triaenophora rupestris	Triaenophora rupestris	Others
BXGF00926	Larix cajanderi	Larix cajanderi	Others
BXGF00928	Pteris australis	Pteris australis	Others
BXGF01002	Acridocarpus vivy	Acridocarpus vivy	Others
BXGF01010	Sextonia rubra	Sextonia rubra	Others
BXGF01016	Glycyrrhiza squamulosa	Glycyrrhiza squamulosa	Medicinal Plant
BXGF01045	Dioscorea japonica	Dioscorea japonica	Medicinal Plant
BXGF01135	Matricaria parthenium	Matricaria parthenium	Others
BXGF01146	Centaurea cadmea	Centaurea cadmea	Others
BXGF01264	Cedrus libani	Cedrus libani	Medicinal Plant
BXGF01297	Justicia paniculata	Justicia paniculata	Medicinal Plant
BXGF01304	Conyza canadensis	Conyza canadensis	Medicinal Plant
BXGF01334	Pulicaria wightiana	Pulicaria wightiana	Medicinal Plant
BXGF01340	Khaya ivorensis	Khaya ivorensis	Medicinal Plant
BXGF01362	Coreopsis fasciculata	Coreopsis fasciculata	Others
BXGF01389	Syneilesis palmata	Syneilesis palmata	Medicinal Plant
BXGF01425	Craspidospermum verticillatum	Craspidospermum verticillatum	Others
BXGF01472	Cerinthe minor	Cerinthe minor	Others
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
BXGF01726	Senecio renardii	Senecio renardii	Medicinal Plant
BXGF01729	Plantago alpina	Plantago alpina	Others
BXGF01760	Hypericum ascyron	Hypericum ascyron	Medicinal Plant
BXGF01789	Aristolochia zollingeriana	Aristolochia zollingeriana	Others
BXGF01840	Mnium hornum	Mnium hornum	Others
BXGF02093	Geranium wilfordii	Geranium wilfordii	Medicinal Plant
BXGF02160	Blainvillea rhomboidea	Blainvillea rhomboidea	Others
BXGF02191	Senecio chinensis	Senecio chinensis	Others
BXGF02218	Acacia glaucescens	Acacia glaucescens	Others
BXGF02254	Thuja plicata	Thuja plicata	Medicinal Plant
BXGF02294	Bartramia pomiformis	Bartramia pomiformis	Medicinal Plant
BXGF02314	Geranium carolinianum	Geranium carolinianum	Others
BXGF02315	Agave utahensis	Agave utahensis	Medicinal Plant
BXGF02340	Thermopsis lanceolata	Thermopsis lanceolata	Medicinal Plant
BXGF02658	Erodium stephanianum	Erodium stephanianum	Medicinal Plant
BXGF02868	Sideritis nutans	Sideritis nutans	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
BXGF03233	Plinia cauliflora	Plinia cauliflora	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
BXGF03428	Terminalia bellirica	Terminalia bellirica	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
BXGF03491	Aristolochia elegans	Aristolochia elegans	Others
BXGF03497	Excoecaria agallocha	Excoecaria agallocha	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
BXGF03742	Zanthoxylum monophyllum	Zanthoxylum monophyllum	Others
BXGF04079	Senna siamea	Senna siamea	Medicinal Plant
BXGF04094	Virola multinervia	Virola multinervia	Medicinal Plant
BXGF04283	Terminalia chebula	Terminalia chebula	Medicinal Plant
BXGF04359	Cunonia macrophylla	Cunonia macrophylla	Medicinal Plant
BXGF04360	Valeriana hardwickii	Valeriana hardwickii	Medicinal Plant
BXGF04527	Geranium thunbergii	Geranium thunbergii	Medicinal Plant
BXGF04659	Phyllanthus emblica	Phyllanthus emblica	Medicinal Plant
BXGF04756	Astragalus gummifer	Astragalus gummifer	Medicinal Plant
BXGF04890	Triglochin maritima	Triglochin maritima	Medicinal Plant
BXGF04969	Xylopia brasiliensis	Xylopia brasiliensis	Others
BXGF05015	Balanophora involucrata	Balanophora involucrata	Medicinal Plant
BXGF05094	Lupinus verbasciformis	Lupinus verbasciformis	Others
BXGF05116	Uncaria guianensis	Uncaria guianensis	Medicinal Plant
BXGF05123	Ilex hainanensis	Ilex hainanensis	Others
BXGF05253	Canarium album	Canarium album	Medicinal Plant
BXGF05317	Melicope sarcococca	Melicope sarcococca	Others
BXGF05332	Yucca flexilis	Yucca flexilis	Others
BXGF05520	Euphorbia humifusa	Euphorbia humifusa	Medicinal Plant
BXGF05547	Morus rubra	Morus rubra	Medicinal Plant
BXGF05600	Aframomum amaniense	Aframomum amaniense	Others
BXGF05640	Phedimus kamtschaticus	Phedimus kamtschaticus	Medicinal Plant
BXGF05645	Artemisia bigelovii	Artemisia bigelovii	Others
BXGF05655	Clematis angustifolia	Clematis angustifolia	Human Edible Plant
BXGF05714	Khaya senegalensis	Khaya senegalensis	Medicinal Plant
BXGF05795	Nama hispidum	Nama hispidum	Others
BXGF05855	Geranium wilfordii maxim	Geranium wilfordii maxim	Others
BXGF05893	Cyathocline purpurea	Cyathocline purpurea	Medicinal Plant
BXGF05900	Beilschmiedia anacardioides	Beilschmiedia anacardioides	Medicinal Plant
BXGF05973	Stenomesson miniatum	Stenomesson miniatum	Others
BXGF06059	Mallotus repandus	Mallotus repandus	Medicinal Plant
BXGF06315	Uncaria donisii	Uncaria donisii	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}