acompound

Showing entry for (+)-Erysotrine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0001492
Compound Name	(+)-Erysotrine
Structure
Formula	C19H23NO3
InchiKey	WXVSPYOOFCCEII-KXBFYZLASA-N
SMILES	CO[C@@H]1C[C@]23N(CC=C2C=C1)CCC1=CC(OC)=C(OC)C=C31
Inchi	InChI=1S/C19H23NO3/c1-21-15-5-4-14-7-9-20-8-6-13-10-17(22-2)18(23-3)11-16(13)19(14,20)12-15/h4-5,7,10-11,15H,6,8-9,12H2,1-3H3/t15-,19-/m0/s1
IUPAC	(1S,16R)-4,5,16-trimethoxy-10-azatetracyclo[8.7.0.01,13.02,?]heptadeca-2,4,6,12,14-pentaene
Molecular Weight	313.39
Pubchem Id	442219
Chembl Id	CHEMBL442947

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	BXGT010407	Neuronal acetylcholine receptor subunit alpha-4	reviewed	Ion channel	CHRNA4	600	-	-	-

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
P43681	BXGT010407	Neuronal acetylcholine receptor subunit alpha-4	reviewed	Ion channel	CHRNA4	Ki	'='	600	nM
P17787	BXGT008341	Neuronal acetylcholine receptor subunit beta-2	reviewed	Ion channel	CHRNB2	Ki	'='	600	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00824	Green vegetables		Vegetables

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}