acompound

Showing entry for Neocnidilide

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0006404
Compound Name	Neocnidilide
Structure
Formula	C12H18O2
InchiKey	UPJFTVFLSIQQAV-UHFFFAOYSA-N
SMILES	CCCCC1OC(=O)C2=CCCCC12
Inchi	InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7,9,11H,2-6,8H2,1H3
IUPAC	3-butyl-1,3,3a,4,5,6-hexahydro-2-benzofuran-1-one
Molecular Weight	194.27
Pubchem Id	5018391
Chembl Id	CHEMBL2165230

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
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	4	%
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	0	%

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
BXGF00061	Coriander	Coriandrum sativum	Herbs and Spices
BXGF00824	Green vegetables		Vegetables
BXGF02792	Ligusticum sinense	Ligusticum sinense	Medicinal Plant
BXGF03379	Cnidium officinale	Cnidium officinale	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}