acompound

Showing entry for Atherosperminine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0001538
Compound Name	Atherosperminine
Structure
Formula	C20H23NO2
InchiKey	UZZFAUDNCIFFPM-UHFFFAOYSA-N
SMILES	COC1=C(OC)C2=C(C=CC3=CC=CC=C23)C(CCN(C)C)=C1
Inchi	InChI=1S/C20H23NO2/c1-21(2)12-11-15-13-18(22-3)20(23-4)19-16-8-6-5-7-14(16)9-10-17(15)19/h5-10,13H,11-12H2,1-4H3
IUPAC	[2-(3,4-dimethoxyphenanthren-1-yl)ethyl]dimethylamine
Molecular Weight	309.4
Pubchem Id	96918
Chembl Id	CHEMBL1186488

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	BXGT011959	Cholinesterase	reviewed		BCHE	-	19340	-	-

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	IC50	'='	19340	nM
P18901	BXGT008440	D(1A) dopamine receptor	reviewed	-	Drd1	Ki	'='	2944	nM
P18901	BXGT008440	D(1A) dopamine receptor	reviewed	-	Drd1	Ki	'='	2917	nM
P61169	BXGT011367	D(2) dopamine receptor	reviewed	-	Drd2	Ki	'='	323	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	83	%
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	IC50	-	-	-
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	2	%
P61169	BXGT011367	D(2) dopamine receptor	reviewed	-	Drd2	Ki	'='	320	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00823	Fruits		Fruits

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}