acompound

General Compound Information
BXGC Id	BXGC0004346
Compound Name	4-Pentyl-gamma-butyrolactone
Structure
Formula	C9H16O2
InchiKey	OALYTRUKMRCXNH-UHFFFAOYSA-N
SMILES	CCCCCC1CCC(=O)O1
Inchi	InChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3
IUPAC	5-pentyloxolan-2-one
Molecular Weight	156.22
Pubchem Id	7710
Chembl Id	CHEMBL191935

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
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	IC50	'='	310000	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	48557	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	61130	nM
P10828	BXGT007624	Thyroid hormone receptor beta	reviewed	Nuclear receptor	THRB	Potency	-	10	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
BXGF00052	Watermelon	Citrullus lanatus	Gourds
BXGF00149	Peach	Prunus persica	Fruits
BXGF00205	Corn	Zea mays	Cereals and cereal products
BXGF00310	Coconut	Cocos nucifera	Fruits
BXGF00380	White mustard	Sinapis alba	Herbs and Spices
BXGF00806	Alcoholic beverages		Beverages
BXGF00810	Cereals and cereal products		Cereals and cereal products
BXGF00823	Fruits		Fruits
BXGF00920	Vincetoxicum stauntonii	Vincetoxicum stauntonii	Others
BXGF01081	Akebia trifoliata	Akebia trifoliata	Medicinal Plant
BXGF01140	Angelica gigas	Angelica gigas	Medicinal Plant
BXGF02024	Actaea dahurica	Actaea dahurica	Human Edible Plant
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF02143	Actaea cimicifuga	Actaea cimicifuga	Medicinal Plant
BXGF02927	Akebia quinata	Akebia quinata	Medicinal Plant
BXGF04402	Actaea simplex	Actaea simplex	Others
BXGF04445	Cynanchum stauntoni	Cynanchum stauntoni	Others
BXGF04842	Angelica acutiloba	Angelica acutiloba	Medicinal Plant
BXGF05279	Vincetoxicum glaucescens	Vincetoxicum glaucescens	Others
BXGF05964	Citrullus lanatus subsp. vulgaris	Citrullus lanatus subsp. vulgaris	0

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}