acompound

Showing entry for 2-Dodecyl-3-Methylbutanedioic Acid

General Compound Information
BXGC Id	BXGC0050002
Compound Name	2-Dodecyl-3-Methylbutanedioic Acid
Structure
Formula	C17H32O4
InchiKey	CADNMISJDLVPCK-UHFFFAOYSA-N
SMILES	CCCCCCCCCCCCC(C(C(=O)O)C)C(=O)O
Inchi	InChI=1S/C17H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-15(17(20)21)14(2)16(18)19/h14-15H,3-13H2,1-2H3,(H,18,19)(H,20,21)
IUPAC	2-dodecyl-3-methylbutanedioic acid
Molecular Weight	300.23
Pubchem Id	99891
Chembl Id	CHEMBL1417088

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

CHEMBL1417088

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
Q9UBT6	BXGT021664	DNA polymerase kappa	reviewed	-	POLK	Potency	-	31622	nM
O97447	BXGT005436	Putative fructose-1,6-bisphosphate aldolase	unreviewed	-	ald	Potency	'='	19905	nM
P25779	BXGT009067	Cruzipain	reviewed	-		Potency	'='	15848	nM
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	56234	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00049	Chicory	Cichorium intybus	Vegetables
BXGF00151	Pomegranate	Punica granatum	Fruits
BXGF00906	Psammosilene tunicoides	Psammosilene tunicoides	Others
BXGF01031	Epimedium sagittatum	Epimedium sagittatum	Medicinal Plant
BXGF01123	Ranunculus ternatus	Ranunculus ternatus	Others
BXGF01140	Angelica gigas	Angelica gigas	Medicinal Plant
BXGF01147	Chelidonium majus	Chelidonium majus	Medicinal Plant
BXGF01185	Aloe vera	Aloe vera	Medicinal Plant
BXGF01495	Pleione yunnanensis	Pleione yunnanensis	Others
BXGF01609	Epimedium sempervirens	Epimedium sempervirens	Others
BXGF01900	Aloe ferox	Aloe ferox	Medicinal Plant
BXGF01911	Bupleurum scorzonerifolium	Bupleurum scorzonerifolium	Medicinal Plant
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF02370	Epimedium pubescens	Epimedium pubescens	Medicinal Plant
BXGF02377	Cichorium glandulosum	Cichorium glandulosum	Others
BXGF02474	Sparganium stoloniferum	Sparganium stoloniferum	Medicinal Plant
BXGF02496	Pleione bulbocodioides	Pleione bulbocodioides	Others
BXGF02499	Cremastra appendiculata	Cremastra appendiculata	Medicinal Plant
BXGF02787	Melia azedarach	Melia azedarach	Medicinal Plant
BXGF02881	Epimedium grandiflorum	Epimedium grandiflorum	Medicinal Plant
BXGF03583	Epimedium koreanum	Epimedium koreanum	Medicinal Plant
BXGF03602	Orobanche coerulescens	Orobanche coerulescens	Medicinal Plant
BXGF04053	Smilax china	Smilax china	Medicinal Plant
BXGF04062	Spatholobus suberectus	Spatholobus suberectus	Medicinal Plant
BXGF04109	Saussurea costus	Saussurea costus	Medicinal Plant
BXGF04323	Orobanche pycnostachya	Orobanche pycnostachya	Others
BXGF04631	Aloe spicata	Aloe spicata	Medicinal Plant
BXGF04712	Prunus mume	Prunus mume	Medicinal Plant
BXGF04842	Angelica acutiloba	Angelica acutiloba	Medicinal Plant
BXGF04875	Bupleurum chinense	Bupleurum chinense	Medicinal Plant
BXGF04889	Pogostemon cablin	Pogostemon cablin	Medicinal Plant
BXGF04926	Aloe africana	Aloe africana	Medicinal Plant
BXGF04981	Bupleurum falcatum	Bupleurum falcatum	Medicinal Plant
BXGF05370	Epimedium brevicornu	Epimedium brevicornu	Others
BXGF05421	Tussilago farfara	Tussilago farfara	Medicinal Plant
BXGF05526	Salvia miltiorrhiza	Salvia miltiorrhiza	Medicinal Plant
BXGF05571	Ziziphus jujuba	Ziziphus jujuba	Medicinal Plant
BXGF05576	Lagotis brevituba	Lagotis brevituba	Others
BXGF05787	Smilax glabra	Smilax glabra	Medicinal Plant
BXGF06161	Epimedium wushanense	Epimedium wushanense	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}