acompound

Showing entry for Alstonine hydrochloride

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0031698
Compound Name	Alstonine hydrochloride
Structure
Formula	C21H20N2O3.ClH
InchiKey	HKPNHORYVYLABA-VMESOOAKSA-N
SMILES	COC(=O)C1=CO[C@H]([C@H]2[C@@H]1Cc1n(C2)ccc2c1nc1c2cccc1)C.Cl
Inchi	InChI=1S/C21H20N2O3.ClH/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2;/h3-8,11-12,15-16H,9-10H2,1-2H3;1H/t12-,15-,16-;/m0./s1
IUPAC
Molecular Weight	348.15
Pubchem Id	5351597
Chembl Id	CHEMBL502838

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
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	IC50	'<'	150	ug.mL-1

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05552	Catharanthus roseus	Catharanthus roseus	Medicinal Plant
BXGF06227	Rauvolfia vomitoria	Rauvolfia vomitoria	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}