acompound

Showing entry for mono-(2-ethylhexyl)phthalate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0019628
Compound Name	mono-(2-ethylhexyl)phthalate
Structure
Formula	C16H22O4
InchiKey	DJDSLBVSSOQSLW-UHFFFAOYSA-N
SMILES	CCCCC(COC(=O)c1ccccc1C(=O)O)CC
Inchi	InChI=1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)
IUPAC	2-(2-ethylhexoxycarbonyl)benzoic acid
Molecular Weight	278.15
Pubchem Id	20393
Chembl Id	CHEMBL1867438

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
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	66824	nM
P37231	BXGT009972	Peroxisome proliferator-activated receptor gamma	reviewed	Nuclear receptor	PPARG	Potency	-	44668	nM
O60656	BXGT004889	UDP-glucuronosyltransferase 1-9	reviewed	-	UGT1A9	Activity	'='	170	pm/min/mg
P54803	BXGT011082	Galactocerebrosidase	reviewed	-	GALC	Potency	-	1122	nM
P04150	BXGT006154	Glucocorticoid receptor	reviewed	Nuclear receptor	NR3C1	Potency	-	6	nM
Q07869	BXGT012945	Peroxisome proliferator-activated receptor alpha	reviewed	Nuclear receptor	PPARA	Potency	-	28183	nM
P37231	BXGT009972	Peroxisome proliferator-activated receptor gamma	reviewed	Nuclear receptor	PPARG	Potency	-	14125	nM
P43220	BXGT010367	Glucagon-like peptide 1 receptor	reviewed	G-protein coupled receptor	GLP1R	Potency	-	35481	nM
Q07869	BXGT012945	Peroxisome proliferator-activated receptor alpha	reviewed	Nuclear receptor	PPARA	Potency	-	35481	nM
P37231	BXGT009972	Peroxisome proliferator-activated receptor gamma	reviewed	Nuclear receptor	PPARG	Potency	-	7943	nM
P04150	BXGT006154	Glucocorticoid receptor	reviewed	Nuclear receptor	NR3C1	Potency	-	112	nM
P19838	BXGT008526	Nuclear factor NF-kappa-B p105 subunit	reviewed	Transcription factor	NFKB1	Potency	-	56234	nM
P08659	BXGT006805	Luciferin 4-monooxygenase	reviewed	-		Potency	-	66166	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	54482	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01346	Aquilaria agallochum	Aquilaria agallochum	Medicinal Plant
BXGF01856	Aquilaria sinensis	Aquilaria sinensis	Medicinal Plant
BXGF05728	Persicaria perfoliata	Persicaria perfoliata	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}