acompound

Showing entry for Scopolamine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0024926
Compound Name	Scopolamine
Structure
Formula	C17H21NO4
InchiKey	STECJAGHUSJQJN-YXMSTPNBSA-N
SMILES	OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2N([C@@H](C1)[C@H]1[C@H]2O1)C
Inchi	InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t12-,13+,14+,15+,16+/m1/s1
IUPAC
Molecular Weight	303.15
Pubchem Id	5284456
Chembl Id

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	BXGT006840	Muscarinic acetylcholine receptor M5	reviewed	G-protein coupled receptor	CHRM5	18	-	-	-
reviewed	BXGT007676	Muscarinic acetylcholine receptor M1	reviewed	G-protein coupled receptor	CHRM1	7.5	-	-	-
reviewed	BXGT006738	Muscarinic acetylcholine receptor M4	reviewed	G-protein coupled receptor	CHRM4	37	-	-	-
reviewed	BXGT008562	Muscarinic acetylcholine receptor M3	reviewed	G-protein coupled receptor	CHRM3	6.5	-	-	-
reviewed	BXGT006737	Muscarinic acetylcholine receptor M2	reviewed	G-protein coupled receptor	CHRM2	9.5	-	-	-

CHEMBL

n.a

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

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00101	Flaxseed	Linum usitatissimum	Herbs and Spices
BXGF00925	Scopolia carniolica	Scopolia carniolica	Medicinal Plant
BXGF02243	Scopolia parviflora	Scopolia parviflora	Medicinal Plant
BXGF02754	Hyoscyamus niger	Hyoscyamus niger	Medicinal Plant
BXGF03902	Datura metel	Datura metel	Medicinal Plant
BXGF04135	Atropa belladonna	Atropa belladonna	Medicinal Plant
BXGF05172	Scopolia japonica	Scopolia japonica	Medicinal Plant
BXGF05659	Datura stramonium	Datura stramonium	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}