BIAdb: A Database for Benzylisoquinoline Alkaloids

Record No. 1 of 2

ID	3210
Name	Scopolamine
Pubchem ID	517999
KEGG ID	N/A
Source	DATURA
Type	Natural
Function	Antimuscarinic
Drug Like Properties	No
Molecular Weight	384.26
Exact mass	383.073221
Molecular formula	C₁₇H₂₂BrNO₄
XlogP	N/A
Topological Polar Surface Area	62.3
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	5
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.Br
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 2 of 2

ID	3212
Name	Scopolamine
Pubchem ID	517999
KEGG ID	N/A
Source	DATURA
Type	Natural
Function	Antispasmodic
Drug Like Properties	No
Molecular Weight	384.26
Exact mass	383.073221
Molecular formula	C₁₇H₂₂BrNO₄
XlogP	N/A
Topological Polar Surface Area	62.3
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	5
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.Br
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records