acompound

Showing entry for 3,4,4'-Tri-O-methylellagic acid

General Compound Information
BXGC Id	BXGC0035699
Compound Name	3,4,4'-Tri-O-methylellagic acid
Structure
Formula	C17H12O8
InchiKey	NDXSDWFOYZXARW-UHFFFAOYSA-N
SMILES	COc1cc2c(=O)oc3c4c2c(c1OC)oc(=O)c4cc(c3O)OC
Inchi	InChI=1S/C17H12O8/c1-21-8-4-6-10-11-7(16(19)24-14(10)12(8)18)5-9(22-2)13(23-3)15(11)25-17(6)20/h4-5,18H,1-3H3
IUPAC
Molecular Weight	344.05
Pubchem Id	11674590
Chembl Id	CHEMBL2334354

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

50428426

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	BXGT005690	Carbonic anhydrase 2	reviewed		CA2	>100000	-	-	-
reviewed	BXGT005689	Carbonic anhydrase 1	reviewed		CA1	44100	-	-	-
reviewed	BXGT013670	Carbonic anhydrase 9	reviewed		CA9	17400	-	-	-
reviewed	BXGT010364	Carbonic anhydrase 7	reviewed		CA7	8580	-	-	-
reviewed	BXGT004601	Carbonic anhydrase 12	reviewed		CA12	7420	-	-	-
reviewed	BXGT018499	Carbonic anhydrase 13	reviewed		CA13	5970	-	-	-

CHEMBL

CHEMBL2334354

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
P43166	BXGT010364	Carbonic anhydrase 7	reviewed	-	CA7	Ki	'='	8580	nM
O43570	BXGT004601	Carbonic anhydrase 12	reviewed	-	CA12	Ki	'='	7420	nM
Q16790	BXGT013670	Carbonic anhydrase 9	reviewed	-	CA9	Ki	'='	17400	nM
Q8N1Q1	BXGT018499	Carbonic anhydrase 13	reviewed	-	CA13	Ki	'='	5970	nM
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	Ki	'>'	100000	nM
P00915	BXGT005689	Carbonic anhydrase 1	reviewed	-	CA1	Ki	'='	44100	nM

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
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
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
BXGF01472	Cerinthe minor	Cerinthe minor	Others
BXGF01502	Ixeris stolonifera	Ixeris stolonifera	Medicinal Plant
BXGF01535	Cephalaria grossheimii	Cephalaria grossheimii	Others
BXGF01588	Callitropsis funebris	Callitropsis funebris	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
BXGF01760	Hypericum ascyron	Hypericum ascyron	Medicinal Plant
BXGF01789	Aristolochia zollingeriana	Aristolochia zollingeriana	Others
BXGF02254	Thuja plicata	Thuja plicata	Medicinal Plant
BXGF02294	Bartramia pomiformis	Bartramia pomiformis	Medicinal Plant
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
BXGF03491	Aristolochia elegans	Aristolochia elegans	Others
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
BXGF04756	Astragalus gummifer	Astragalus gummifer	Medicinal Plant
BXGF04890	Triglochin maritima	Triglochin maritima	Medicinal Plant
BXGF05015	Balanophora involucrata	Balanophora involucrata	Medicinal Plant
BXGF05094	Lupinus verbasciformis	Lupinus verbasciformis	Others
BXGF05600	Aframomum amaniense	Aframomum amaniense	Others
BXGF05640	Phedimus kamtschaticus	Phedimus kamtschaticus	Medicinal Plant
BXGF05714	Khaya senegalensis	Khaya senegalensis	Medicinal Plant
BXGF05795	Nama hispidum	Nama hispidum	Others
BXGF05900	Beilschmiedia anacardioides	Beilschmiedia anacardioides	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}