acompound

Showing entry for 3,3'-di-O-methylellagic acid

General Compound Information
BXGC Id	BXGC0043712
Compound Name	3,3'-di-O-methylellagic acid
Structure
Formula	C16H10O8
InchiKey	KLAGYIBJNXLDTL-UHFFFAOYSA-N
SMILES	COc1c(O)cc2c3c1oc(=O)c1c3c(oc2=O)c(c(c1)O)OC
Inchi	InChI=1S/C16H10O8/c1-21-11-7(17)3-5-9-10-6(15(19)23-13(9)11)4-8(18)12(22-2)14(10)24-16(5)20/h3-4,17-18H,1-2H3
IUPAC
Molecular Weight	330.04
Pubchem Id	5488919
Chembl Id	CHEMBL487203

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

n.a

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

CHEMBL

CHEMBL487203

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
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	1258	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	10000	nM
P46063	BXGT010501	ATP-dependent DNA helicase Q1	reviewed	Enzyme	RECQL	Potency	-	794	nM
P15428	BXGT008121	15-hydroxyprostaglandin dehydrogenase [NAD(+)]	reviewed	-	HPGD	Potency	'='	5011	nM
P54132	BXGT011032	Bloom syndrome protein	reviewed	-	BLM	Potency	'='	14125	nM
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	7079	nM
P97697	BXGT012214	Inositol monophosphatase 1	reviewed	-	Impa1	Potency	'='	10000	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	'='	562	nM
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	'='	446	nM
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	14125	nM
P46063	BXGT010501	ATP-dependent DNA helicase Q1	reviewed	Enzyme	RECQL	Potency	'='	3162	nM
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	12589	nM
O00255	BXGT003903	Menin	reviewed	-	MEN1	Potency	'='	12589	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
BXGF01304	Conyza canadensis	Conyza canadensis	Medicinal Plant
BXGF01362	Coreopsis fasciculata	Coreopsis fasciculata	Others
BXGF01601	Selinum carvifolium	Selinum carvifolium	Others
BXGF01807	Ficus sarmentosa var. thunbergii	Ficus sarmentosa var. thunbergii	Human Edible Plant
BXGF02254	Thuja plicata	Thuja plicata	Medicinal Plant
BXGF02541	Euphorbia pekinensis	Euphorbia pekinensis	Medicinal Plant
BXGF02970	Crepis foetida	Crepis foetida	Medicinal Plant
BXGF03014	Cirsium japonicum	Cirsium japonicum	Medicinal Plant
BXGF03030	Erythrina sacleuxii	Erythrina sacleuxii	Others
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
BXGF03184	Sasa paniculata	Sasa paniculata	Others
BXGF03192	Cardiospermum halicacabum	Cardiospermum halicacabum	Medicinal Plant
BXGF03199	Combretum indicum	Combretum indicum	Medicinal Plant
BXGF03213	Aglaia elaeagnoidea	Aglaia elaeagnoidea	Human Edible Plant
BXGF03223	Sedum forsteri	Sedum forsteri	Medicinal Plant
BXGF03258	Populus angustifolia	Populus angustifolia	Medicinal Plant
BXGF03272	Urtica triangularis	Urtica triangularis	Human Edible Plant
BXGF03320	Pouzolzia occidentalis	Pouzolzia occidentalis	Others
BXGF03344	Centaurea nigrescens	Centaurea nigrescens	Human Edible Plant
BXGF03364	Astragalus asper	Astragalus asper	Others
BXGF03400	Piper arboreum	Piper arboreum	Medicinal Plant
BXGF03406	Daphne lancifolia	Daphne lancifolia	Others
BXGF03413	Lasiosiphon kraussianus	Lasiosiphon kraussianus	Others
BXGF03431	Parastrephia lepidophylla	Parastrephia lepidophylla	Others
BXGF03443	Morinda morindoides	Morinda morindoides	Human Edible Plant
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
BXGF03628	Dioscorea althaeoides	Dioscorea althaeoides	Medicinal Plant
BXGF03692	Gardneria insularis	Gardneria insularis	Others
BXGF03724	Scilla maritima	Scilla maritima	Medicinal Plant
BXGF03742	Zanthoxylum monophyllum	Zanthoxylum monophyllum	Others
BXGF03746	Osteophloeum platyspermum	Osteophloeum platyspermum	Others
BXGF03798	Glycyrrhiza lepidota	Glycyrrhiza lepidota	Medicinal Plant
BXGF03820	Artemisia tournefortiana	Artemisia tournefortiana	Others
BXGF03977	Magnolia sprengeri	Magnolia sprengeri	Medicinal Plant
BXGF03993	Aulacomnium androgynum	Aulacomnium androgynum	Medicinal Plant
BXGF04012	Valeriana fedtschenkoi	Valeriana fedtschenkoi	Others
BXGF04044	Cosmos pringlei	Cosmos pringlei	Others
BXGF04059	Taraxacum bicorne	Taraxacum bicorne	Others
BXGF04068	Albertisia papuana	Albertisia papuana	Human Edible Plant
BXGF04077	Cordia curassavica	Cordia curassavica	Medicinal Plant
BXGF04117	Lafoensia glyptocarpa	Lafoensia glyptocarpa	Others
BXGF04325	Baphia bancoensis	Baphia bancoensis	Others
BXGF04756	Astragalus gummifer	Astragalus gummifer	Medicinal Plant
BXGF04847	Ficus cordata subsp. salicifolia	Ficus cordata subsp. salicifolia	Medicinal Plant
BXGF04890	Triglochin maritima	Triglochin maritima	Medicinal Plant
BXGF05216	Lonchocarpus orotinus	Lonchocarpus orotinus	Others
BXGF05382	Lagerstroemia speciosa	Lagerstroemia speciosa	Medicinal Plant
BXGF05391	Derris uliginosa	Derris uliginosa	Medicinal Plant
BXGF05595	Dahlstedtia araripensis	Dahlstedtia araripensis	Others
BXGF05640	Phedimus kamtschaticus	Phedimus kamtschaticus	Medicinal Plant
BXGF05978	Hypoestes purpurea	Hypoestes purpurea	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}