acompound

Showing entry for (S)-3-Butyl-1(3H)-isobenzofuranone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0004578
Compound Name	(S)-3-Butyl-1(3H)-isobenzofuranone
Structure
Formula	C12H14O2
InchiKey	HJXMNVQARNZTEE-UHFFFAOYSA-N
SMILES	CCCCC1OC(=O)C2=C1C=CC=C2
Inchi	InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3
IUPAC	3-butyl-1,3-dihydro-2-benzofuran-1-one
Molecular Weight	190.24
Pubchem Id	61361
Chembl Id	CHEMBL248594

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
P27338	BXGT009172	Amine oxidase [flavin-containing] B	reviewed	-	MAOB	Inhibition	'='	18	%
P21397	BXGT008644	Amine oxidase [flavin-containing] A	reviewed	-	MAOA	Inhibition	'='	11	%
P05067	BXGT006306	Amyloid-beta precursor protein	reviewed	Enzyme modulator	APP	Inhibition	'='	1	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00013	Dill	Anethum graveolens	Herbs and Spices
BXGF00015	Wild celery	Apium graveolens	Herbs and Spices
BXGF00027	Chinese mustard	Brassica juncea	Vegetables
BXGF00100	Lovage	Levisticum officinale	Herbs and Spices
BXGF00131	Parsley	Petroselinum crispum	Herbs and Spices
BXGF00824	Green vegetables		Vegetables
BXGF01140	Angelica gigas	Angelica gigas	Medicinal Plant
BXGF01151	Ligusticum jeholense	Ligusticum jeholense	Medicinal Plant
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF02792	Ligusticum sinense	Ligusticum sinense	Medicinal Plant
BXGF03290	Ligusticum tenuissimum	Ligusticum tenuissimum	Medicinal Plant
BXGF03379	Cnidium officinale	Cnidium officinale	Medicinal Plant
BXGF04842	Angelica acutiloba	Angelica acutiloba	Medicinal Plant
BXGF04982	Ligusticum chuanxiong	Ligusticum chuanxiong	Medicinal Plant
BXGF06054	Angelica japonica	Angelica japonica	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}