acompound

Showing entry for di-(2-Methylpropyl)-phthalate

General Compound Information
BXGC Id	BXGC0002957
Compound Name	di-(2-Methylpropyl)-phthalate
Structure
Formula	C16H22O4
InchiKey	MGWAVDBGNNKXQV-UHFFFAOYSA-N
SMILES	CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C
Inchi	InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
IUPAC	1,2-bis(2-methylpropyl) benzene-1,2-dicarboxylate
Molecular Weight	278.34
Pubchem Id	6782
Chembl Id	CHEMBL1370662

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

CHEMBL1370662

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
P16473	BXGT008234	Thyrotropin receptor	reviewed	G-protein coupled receptor	TSHR	Potency	'='	39810	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	79432	nM
Q9UIF8	BXGT021718	Bromodomain adjacent to zinc finger domain protein 2B	reviewed	-	BAZ2B	Potency	-	89125	nM
Q12809	BXGT013267	Potassium voltage-gated channel subfamily H member 2	reviewed	Ion channel	KCNH2	Potency	-	35481	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	39810	nM
P10275	BXGT007552	Androgen receptor	reviewed	Nuclear receptor	AR	Potency	-	50118	nM
O75164	BXGT005104	Lysine-specific demethylase 4A	reviewed	-	KDM4A	Potency	-	56234	nM
P10145	BXGT007542	Interleukin-8	reviewed	Signaling	CXCL8	Potency	-	74978	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	33491	nM
P63092	BXGT011495	Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	reviewed	-	GNAS	Potency	-	11220	nM
P43220	BXGT010367	Glucagon-like peptide 1 receptor	reviewed	G-protein coupled receptor	GLP1R	Potency	-	28183	nM
Q8WZA2	BXGT019025	Rap guanine nucleotide exchange factor 4	reviewed	Enzyme modulator	RAPGEF4	Potency	-	39810	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	14581	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	23109	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00033	Kohlrabi	Brassica oleracea var. gongylodes	Vegetables
BXGF00056	Mandarin orange (Clementine, Tangerine)	Citrus reticulata	Fruits
BXGF00081	Fig	Ficus carica	Fruits
BXGF00103	Lichee	Litchi chinensis	Fruits
BXGF00369	Sacred lotus	Nelumbo nucifera	Vegetables
BXGF00522	Narrowleaf cattail	Typha angustifolia	Vegetables
BXGF01019	Sinopodophyllum hexandrum	Sinopodophyllum hexandrum	Medicinal Plant
BXGF01048	Paederia scandens	Paederia scandens	Medicinal Plant
BXGF01140	Angelica gigas	Angelica gigas	Medicinal Plant
BXGF01346	Aquilaria agallochum	Aquilaria agallochum	Medicinal Plant
BXGF01408	Flemingia prostrata roxb	Flemingia prostrata roxb	Others
BXGF01426	Cornus officinalis	Cornus officinalis	Medicinal Plant
BXGF01642	Pyrola japonica	Pyrola japonica	Medicinal Plant
BXGF01856	Aquilaria sinensis	Aquilaria sinensis	Medicinal Plant
BXGF01973	Lonicera japonica	Lonicera japonica	Medicinal Plant
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF02131	Glycyrrhiza	Glycyrrhiza	Medicinal Plant
BXGF02359	Eucommia ulmoides	Eucommia ulmoides	Medicinal Plant
BXGF02425	Ephedra herba	Ephedra herba	Others
BXGF02604	Agrimonia pilosa	Agrimonia pilosa	Medicinal Plant
BXGF02635	Ephedra sinica	Ephedra sinica	Medicinal Plant
BXGF02787	Melia azedarach	Melia azedarach	Medicinal Plant
BXGF02815	Pinellia ternata	Pinellia ternata	Medicinal Plant
BXGF02914	Michelia alba	Michelia alba	Medicinal Plant
BXGF03426	Rhodiola crenulata	Rhodiola crenulata	Medicinal Plant
BXGF03490	Atractylodes macrocephala koidz	Atractylodes macrocephala koidz	Others
BXGF03671	Leonurus japonicus	Leonurus japonicus	Medicinal Plant
BXGF04209	Chaenomeles sinensis	Chaenomeles sinensis	Medicinal Plant
BXGF04285	Conocephalum conicum	Conocephalum conicum	Others
BXGF04600	Typha orientalis	Typha orientalis	Medicinal Plant
BXGF04842	Angelica acutiloba	Angelica acutiloba	Medicinal Plant
BXGF04889	Pogostemon cablin	Pogostemon cablin	Medicinal Plant
BXGF05511	Acorus gramineus	Acorus gramineus	Medicinal Plant
BXGF05651	Humulus scandens	Humulus scandens	Human Edible Plant
BXGF05752	Astilbe chinensis	Astilbe chinensis	Medicinal Plant
BXGF05800	Mimosa pudica	Mimosa pudica	Medicinal Plant
BXGF06071	Acorus tatarinowii	Acorus tatarinowii	Medicinal Plant
BXGF06079	Pueraria montana var. lobata	Pueraria montana var. lobata	Medicinal Plant
BXGF06120	Craibiodendron yunnanese	Craibiodendron yunnanese	Medicinal Plant
BXGF06238	Gardenia jasminoides	Gardenia jasminoides	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}