acompound

Showing entry for 15-amido-3-demethoxy-2alpha,3alpha-methylenedioxyerythroculine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0037968
Compound Name	15-amido-3-demethoxy-2alpha,3alpha-methylenedioxyerythroculine
Structure
Formula	C19H22N2O4
InchiKey	QCGHEAJFTHQMHI-SCTDSRPQSA-N
SMILES	COc1cc2CCN3[C@@]4(c2cc1C(=N)O)C[C@H]1OCO[C@H]1C=C4CC3
Inchi	InChI=1S/C19H22N2O4/c1-23-15-6-11-2-4-21-5-3-12-7-16-17(25-10-24-16)9-19(12,21)14(11)8-13(15)18(20)22/h6-8,16-17H,2-5,9-10H2,1H3,(H2,20,22)/t16-,17+,19-/m0/s1
IUPAC
Molecular Weight	342.16
Pubchem Id	16091679
Chembl Id	CHEMBL465625

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	BXGT006258	Neuronal acetylcholine receptor subunit alpha-3	reviewed		Chrna3	-	94000	-	-

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
P12392	BXGT007812	Neuronal acetylcholine receptor subunit beta-4	reviewed	-	Chrnb4	IC50	'='	94000	nM
P04757	BXGT006258	Neuronal acetylcholine receptor subunit alpha-3	reviewed	-	Chrna3	IC50	'='	94000	nM
P12392	BXGT007812	Neuronal acetylcholine receptor subunit beta-4	reviewed	-	Chrnb4	Activity	-	-	-
P04757	BXGT006258	Neuronal acetylcholine receptor subunit alpha-3	reviewed	-	Chrna3	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02727	Prunus japonica	Prunus 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}