acompound

Showing entry for 3,7,8-tri-O-methylellagic acid

General Compound Information
BXGC Id	BXGC0043232
Compound Name	3,7,8-tri-O-methylellagic acid
Structure
Formula	C17H12O8
InchiKey	LXEQIOGTMDLLEC-UHFFFAOYSA-N
SMILES	COc1c(OC)cc2c3c1oc(=O)c1c3c(oc2=O)c(c(c1)O)OC
Inchi	InChI=1S/C17H12O8/c1-21-9-5-7-11-10-6(16(19)25-15(11)13(9)23-3)4-8(18)12(22-2)14(10)24-17(7)20/h4-5,18H,1-3H3
IUPAC
Molecular Weight	344.05
Pubchem Id	5281860
Chembl Id	CHEMBL451476

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

CHEMBL451476

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
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	Inhibition	-	-	-
Q04206	BXGT012754	Transcription factor p65	reviewed	Transcription factor	RELA	IC50	'='	1600	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
BXGF00408	Malabar plum	Syzygium jambos	Fruits
BXGF01039	Hopea jucunda	Hopea jucunda	Others
BXGF01240	Ania latifolia	Ania latifolia	Others
BXGF01278	Silene inflata	Silene inflata	Medicinal Plant
BXGF01280	Thesium humile	Thesium humile	Others
BXGF01304	Conyza canadensis	Conyza canadensis	Medicinal Plant
BXGF01351	Euphorbia iberica	Euphorbia iberica	Others
BXGF01362	Coreopsis fasciculata	Coreopsis fasciculata	Others
BXGF01422	Camptotheca acuminata	Camptotheca acuminata	Medicinal Plant
BXGF01489	Carpinus cordata	Carpinus cordata	Others
BXGF01601	Selinum carvifolium	Selinum carvifolium	Others
BXGF01620	Eucalyptus regnans	Eucalyptus regnans	Others
BXGF01844	Dirca occidentalis	Dirca occidentalis	Others
BXGF01932	Agave shawii	Agave shawii	Human Edible Plant
BXGF01960	Achyranthes bidentata	Achyranthes bidentata	Medicinal Plant
BXGF02017	Acacia sparsiflora	Acacia sparsiflora	Others
BXGF02074	Senecio desfontainei	Senecio desfontainei	Others
BXGF02099	Camellia sasanqua	Camellia sasanqua	Medicinal Plant
BXGF02122	Drypetes littoralis	Drypetes littoralis	Others
BXGF02147	Edgeworthia gardneri	Edgeworthia gardneri	Medicinal Plant
BXGF02165	Werneria decora	Werneria decora	Others
BXGF02196	Micromonas pusilla	Micromonas pusilla	Others
BXGF02254	Thuja plicata	Thuja plicata	Medicinal Plant
BXGF02269	Plumbago pulchella	Plumbago pulchella	Medicinal Plant
BXGF02283	Polygala ruwenzoriensis	Polygala ruwenzoriensis	Others
BXGF02302	Astrantia major	Astrantia major	Medicinal Plant
BXGF02345	Rumex conglomeratus	Rumex conglomeratus	Medicinal Plant
BXGF02366	Convallaria keiskei	Convallaria keiskei	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
BXGF03066	Myrtus tomentosa	Myrtus tomentosa	Others
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
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
BXGF04236	Cassia javanica subsp. nodosa	Cassia javanica subsp. nodosa	Medicinal Plant
BXGF04341	Sanguisorba officinalis	Sanguisorba officinalis	Medicinal Plant
BXGF04479	Rosa hybrid cultivar	Rosa hybrid cultivar	Others
BXGF04610	Plumeria alba	Plumeria alba	Medicinal Plant
BXGF04756	Astragalus gummifer	Astragalus gummifer	Medicinal Plant
BXGF04789	Khaya grandifoliola	Khaya grandifoliola	Medicinal Plant
BXGF04890	Triglochin maritima	Triglochin maritima	Medicinal Plant
BXGF05037	combretum caffrum	combretum caffrum	Others
BXGF05640	Phedimus kamtschaticus	Phedimus kamtschaticus	Medicinal Plant
BXGF05943	Tilia vulgaris	Tilia vulgaris	Medicinal Plant
BXGF05981	Grindelia perennis	Grindelia perennis	Others
BXGF06229	Ambrosia grayi	Ambrosia grayi	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}