acompound

Showing entry for (E)-Butylidene phthalide

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0002780
Compound Name	(E)-Butylidene phthalide
Structure
Formula	C12H12O2
InchiKey	WMBOCUXXNSOQHM-FLIBITNWSA-N
SMILES	[H]\C(CCC)=C1\OC(=O)C2=CC=CC=C12
Inchi	InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8-
IUPAC	(3Z)-3-butylidene-1,3-dihydro-2-benzofuran-1-one
Molecular Weight	188.23
Pubchem Id	642376
Chembl Id	CHEMBL249592

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

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
reviewed	BXGT009777	5-hydroxytryptamine receptor 7	reviewed	G-protein coupled receptor	HTR7	-	126600	-	-
reviewed	BXGT005151	Transient receptor potential cation channel subfamily A member 1	reviewed	Ion channel	TRPA1	-	23000	-	-
reviewed	BXGT018684	Transient receptor potential cation channel subfamily M member 8	reviewed		Trpm8	-	153300	-	-
reviewed	BXGT016509	Transient receptor potential cation channel subfamily A member 1	reviewed		Trpa1	-	44500	-	-
reviewed	BXGT018684	Transient receptor potential cation channel subfamily M member 8	reviewed		Trpm8	-	140700	-	-

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
Q8R455	BXGT018684	Transient receptor potential cation channel subfamily M member 8	reviewed	-	Trpm8	IC50	'='	140700	nM
Q8R455	BXGT018684	Transient receptor potential cation channel subfamily M member 8	reviewed	-	Trpm8	Efficacy	'<'	10	%
P34969	BXGT009777	5-hydroxytryptamine receptor 7	reviewed	G-protein coupled receptor	HTR7	IC50	'='	126600	nM
O75762	BXGT005151	Transient receptor potential cation channel subfamily A member 1	reviewed	Ion channel	TRPA1	IC50	'='	23000	nM
Q8R455	BXGT018684	Transient receptor potential cation channel subfamily M member 8	reviewed	-	Trpm8	IC50	'='	153300	nM
P34969	BXGT009777	5-hydroxytryptamine receptor 7	reviewed	G-protein coupled receptor	HTR7	Inhibition	'='	46	%
Q6RI86	BXGT016509	Transient receptor potential cation channel subfamily A member 1	reviewed	-	Trpa1	Efficacy	'<'	10	%
Q8R455	BXGT018684	Transient receptor potential cation channel subfamily M member 8	reviewed	-	Trpm8	EC50	-	-	-
Q6RI86	BXGT016509	Transient receptor potential cation channel subfamily A member 1	reviewed	-	Trpa1	IC50	'='	44500	nM
Q6RI86	BXGT016509	Transient receptor potential cation channel subfamily A member 1	reviewed	-	Trpa1	EC50	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00015	Wild celery	Apium graveolens	Herbs and Spices
BXGF01140	Angelica gigas	Angelica gigas	Medicinal Plant
BXGF01151	Ligusticum jeholense	Ligusticum jeholense	Medicinal Plant
BXGF01973	Lonicera japonica	Lonicera japonica	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

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}