acompound

Showing entry for atraric acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0020385
Compound Name	atraric acid
Structure
Formula	C10H12O4
InchiKey	UUQHKWMIDYRWHH-UHFFFAOYSA-N
SMILES	COC(=O)c1c(C)cc(c(c1O)C)O
Inchi	InChI=1S/C10H12O4/c1-5-4-7(11)6(2)9(12)8(5)10(13)14-3/h4,11-12H,1-3H3
IUPAC	methyl 2,4-dihydroxy-3,6-dimethylbenzoate
Molecular Weight	196.07
Pubchem Id	78435
Chembl Id	CHEMBL508287

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
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	89125	nM
P37231	BXGT009972	Peroxisome proliferator-activated receptor gamma	reviewed	Nuclear receptor	PPARG	Activity	-	-	-
Q13148	BXGT013318	TAR DNA-binding protein 43	reviewed	-	TARDBP	Potency	-	316	nM
O00206	BXGT003894	Toll-like receptor 4	reviewed	-	TLR4	Inhibition	'='	25	%
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	12589	nM
O00206	BXGT003894	Toll-like receptor 4	reviewed	-	TLR4	Inhibition	'='	36	%
O00206	BXGT003894	Toll-like receptor 4	reviewed	-	TLR4	Inhibition	'='	19	%
O00206	BXGT003894	Toll-like receptor 4	reviewed	-	TLR4	Inhibition	'='	27	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03426	Rhodiola crenulata	Rhodiola crenulata	Medicinal Plant
BXGF04023	Putterlickia verrucosa	Putterlickia verrucosa	Others
BXGF04104	Helleborus niger	Helleborus niger	Medicinal Plant
BXGF04357	Gentiana dahurica	Gentiana dahurica	Medicinal Plant
BXGF04484	Cirsium brevistylum	Cirsium brevistylum	Medicinal Plant
BXGF05309	Calypogeia integristipula	Calypogeia integristipula	Others
BXGF05535	Desmodium oxyphyllum	Desmodium oxyphyllum	Others
BXGF05662	Vernonia condensata	Vernonia condensata	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}