acompound

Showing entry for (3S)-Butylphthalide

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0035382
Compound Name	(3S)-Butylphthalide
Structure
Formula	C12H14O2
InchiKey	HJXMNVQARNZTEE-NSHDSACASA-N
SMILES	CCCC[C@@H]1OC(=O)c2c1cccc2
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/t11-/m0/s1
IUPAC	(3S)-3-butyl-3H-2-benzofuran-1-one
Molecular Weight	190.1
Pubchem Id	11116832
Chembl Id	CHEMBL250205

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
P25162	BXGT009029	Acetylcholine receptor subunit beta-like 2	reviewed	-	nAChRbeta2	Inhibition	-	-	-
Q920B6	BXGT019333	Potassium channel subfamily K member 2	reviewed	-	Kcnk2	Inhibition	'='	70	%
Q920B6	BXGT019333	Potassium channel subfamily K member 2	reviewed	-	Kcnk2	IC50	'='	60	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01140	Angelica gigas	Angelica gigas	Medicinal Plant
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF02792	Ligusticum sinense	Ligusticum sinense	Medicinal Plant
BXGF04842	Angelica acutiloba	Angelica acutiloba	Medicinal Plant
BXGF04982	Ligusticum chuanxiong	Ligusticum chuanxiong	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}