acompound

Showing entry for N-demethylhuperzinine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0034568
Compound Name	N-demethylhuperzinine
Structure
Formula	C16H20N2O
InchiKey	GSNAOXZKMHHMJN-HWWQOWPSSA-N
SMILES	CN[C@]12CC(=C[C@H]([C@H]1C=C)Cc1c2ccc(n1)O)C
Inchi	InChI=1S/C16H20N2O/c1-4-12-11-7-10(2)9-16(12,17-3)13-5-6-15(19)18-14(13)8-11/h4-7,11-12,17H,1,8-9H2,2-3H3,(H,18,19)/t11-,12+,16+/m0/s1
IUPAC
Molecular Weight	256.16
Pubchem Id	10264399
Chembl Id	CHEMBL448799

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	BXGT008694	Acetylcholinesterase	reviewed		Ache	-	2000	-	-

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
P37136	BXGT009967	Acetylcholinesterase	reviewed	-	Ache	Inhibition	-	-	-
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	IC50	'='	15000	nM
P21836	BXGT008694	Acetylcholinesterase	reviewed	-	Ache	IC50	'='	2000	nM
Q03311	BXGT012706	Cholinesterase	reviewed	-	Bche	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02389	Lycopodium casuarinoides	Lycopodium casuarinoides	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}