acompound

General Compound Information
BXGC Id	BXGC0002410
Compound Name	2-Ethyl-1-hexanol
Structure
Formula	C8H18O
InchiKey	YIWUKEYIRIRTPP-UHFFFAOYSA-N
SMILES	CCCCC(CC)CO
Inchi	InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
IUPAC	2-ethylhexan-1-ol
Molecular Weight	130.23
Pubchem Id	7720
Chembl Id	CHEMBL31637

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
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	14125	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	31622	nM
P0DTE4	BXGT022286	UDP-glucuronosyltransferase 2A1	reviewed	-	UGT2A1	Activity	'='	873	pm/min/mg
P37231	BXGT009972	Peroxisome proliferator-activated receptor gamma	reviewed	Nuclear receptor	PPARG	Potency	-	44668	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	18356	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	4610	nM

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
BXGF00057	Sweet orange	Citrus sinensis	Fruits
BXGF00081	Fig	Ficus carica	Fruits
BXGF00113	Peppermint	Mentha X piperita	Herbs and Spices
BXGF00204	Common grape	Vitis vinifera	Fruits
BXGF00205	Corn	Zea mays	Cereals and cereal products
BXGF00806	Alcoholic beverages		Beverages
BXGF00810	Cereals and cereal products		Cereals and cereal products
BXGF00816	Fats and oils		Fats and oils
BXGF00823	Fruits		Fruits
BXGF00946	Artemisia montana	Artemisia montana	Medicinal Plant
BXGF01973	Lonicera japonica	Lonicera japonica	Medicinal Plant
BXGF02815	Pinellia ternata	Pinellia ternata	Medicinal Plant
BXGF03327	Citrus trifoliata	Citrus trifoliata	Human Edible Plant
BXGF03953	Artemisia princeps	Artemisia princeps	Medicinal Plant
BXGF04238	Capsella bursa-pastoris	Capsella bursa-pastoris	Medicinal Plant
BXGF04361	Cynomorium songaricum	Cynomorium songaricum	Medicinal Plant
BXGF04605	Senna alexandrina	Senna alexandrina	Medicinal Plant
BXGF04611	Artemisia argyi	Artemisia argyi	Medicinal Plant
BXGF04820	Panax ginseng	Panax ginseng	0
BXGF05382	Lagerstroemia speciosa	Lagerstroemia speciosa	Medicinal Plant
BXGF05431	Citrus natsudaidai	Citrus natsudaidai	Human Edible Plant
BXGF05819	Citrus aurantium	Citrus aurantium	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}