acompound

Showing entry for Gallic acid 3-O-gallate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0000061
Compound Name	Gallic acid 3-O-gallate
Structure
Formula	C14H10O9
InchiKey	COVFEVWNJUOYRL-UHFFFAOYSA-N
SMILES	OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1
Inchi	InChI=1S/C14H10O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-4,15-19H,(H,20,21)
IUPAC	3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoic acid
Molecular Weight	322.23
Pubchem Id	341
Chembl Id	CHEMBL366356

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

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
P06746	BXGT006496	DNA polymerase beta	reviewed	Enzyme	POLB	Activity	-	-	-
P09884	BXGT006937	DNA polymerase alpha catalytic subunit	reviewed	-	POLA1	Activity	-	-	-
C3SJS7	BXGT002446	Acyltransferase	unreviewed	-	yihG	Activity	-	-	-
P09884	BXGT006937	DNA polymerase alpha catalytic subunit	reviewed	-	POLA1	Ki	'='	830	nM
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	600	nM
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	Inhibition	'='	90	%
P89582	BXGT012106	Integrase	unreviewed	-	pol	IC50	'='	2500	nM
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	2200	nM
P06746	BXGT006496	DNA polymerase beta	reviewed	Enzyme	POLB	Ki	'='	390	nM
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	Inhibition	'='	89	%
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	900	nM
P06526	BXGT006450	DNA nucleotidylexotransferase	reviewed	-	DNTT	Activity	-	-	-
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	1500	nM
P58335	BXGT011233	Anthrax toxin receptor 2	reviewed	Receptor	ANTXR2	IC50	'='	50000	nM
P09884	BXGT006937	DNA polymerase alpha catalytic subunit	reviewed	-	POLA1	Inhibition	'>'	90	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00106	Mango	Mangifera indica	Fruits
BXGF00120	Evening primrose	Oenothera biennis	Herbs and Spices
BXGF00248	Beer		Beverages
BXGF01357	Ampelopsis japonica	Ampelopsis japonica	Medicinal Plant
BXGF01908	Rhus chinensis	Rhus chinensis	Medicinal Plant
BXGF01936	Brucea javanica	Brucea javanica	Medicinal Plant
BXGF03807	Centaurea squarrosa	Centaurea squarrosa	Others
BXGF04014	Litsea rotundifolia	Litsea rotundifolia	Others
BXGF05217	Rhus punjabensis	Rhus punjabensis	Medicinal Plant
BXGF05601	Rhus potaninii	Rhus potaninii	Human Edible Plant
BXGF05651	Humulus scandens	Humulus scandens	Human Edible Plant
BXGF05819	Citrus aurantium	Citrus aurantium	Medicinal Plant
BXGF05829	Acacia arabica	Acacia arabica	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}