BIAdb: A Database for Benzylisoquinoline Alkaloids

Record No. 1 of 8

ID	1203
Name	(-)-Argemonine
Pubchem ID	442168
KEGG ID	C09341
Source	Argemone mexicana
Type	Natural
Function	Antiarrhythmic
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.3
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1C2CC3=CC(=C(C=C3C1CC4=CC(=C(C=C24)OC)OC)OC)OC
Isomeric SMILE	CN1[C@H]2CC3=CC(=C(C=C3[C@@H]1CC4=CC(=C(C=C24)OC)OC)OC)OC
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 2 of 8

ID	2973
Name	Protopine
Pubchem ID	4970
KEGG ID	C05189
Source	Argemone mexicana
Type	Natural
Function	Antibacterial
Drug Like Properties	Yes
Molecular Weight	353.37
Exact mass	353.126323
Molecular formula	C₂₀H₁₉NO₅
XlogP	2.8
Topological Polar Surface Area	57.2
H-Bond Donor	0
H-Bond Acceptor	6
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C5=C(C=C4)OCO5)OCO3
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 3 of 8

ID	3186
Name	Sanguinarine
Pubchem ID	68635
KEGG ID	D05799
Source	Argemone mexicana
Type	Natural
Function	Glutamate decarboxylase inhibitor
Drug Like Properties	No
Molecular Weight	367.78
Exact mass	367.061136
Molecular formula	C₂₀H₁₄ClNO₄
XlogP	N/A
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6.[Cl-]
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 4 of 8

ID	3188
Name	Sanguinarine
Pubchem ID	68635
KEGG ID	D05799
Source	Argemone mexicana
Type	Natural
Function	Antibacterial
Drug Like Properties	No
Molecular Weight	367.78
Exact mass	367.061136
Molecular formula	C₂₀H₁₄ClNO₄
XlogP	N/A
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6.[Cl-]
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 5 of 8

ID	3190
Name	Sanguinarine
Pubchem ID	68635
KEGG ID	D05799
Source	Argemone mexicana
Type	Natural
Function	Antifungal
Drug Like Properties	No
Molecular Weight	367.78
Exact mass	367.061136
Molecular formula	C₂₀H₁₄ClNO₄
XlogP	N/A
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6.[Cl-]
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 6 of 8

ID	3192
Name	Sanguinarine
Pubchem ID	68635
KEGG ID	D05799
Source	Argemone mexicana
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	No
Molecular Weight	367.78
Exact mass	367.061136
Molecular formula	C₂₀H₁₄ClNO₄
XlogP	N/A
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6.[Cl-]
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 7 of 8

ID	3194
Name	Sanguinarine
Pubchem ID	72619
KEGG ID	N/A
Source	Argemone mexicana
Type	Natural
Function	Glutamate decarboxylase inhibitor
Drug Like Properties	No
Molecular Weight	394.33
Exact mass	394.080101
Molecular formula	C₂₀H₁₄N₂O₇
XlogP	N/A
Topological Polar Surface Area	107
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6.[N+](=O)([O-])[O-]
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 8 of 8

ID	3196
Name	Sanguinarine
Pubchem ID	72619
KEGG ID	N/A
Source	Argemone mexicana
Type	Natural
Function	Antibacterial
Drug Like Properties	No
Molecular Weight	394.33
Exact mass	394.080101
Molecular formula	C₂₀H₁₄N₂O₇
XlogP	N/A
Topological Polar Surface Area	107
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6.[N+](=O)([O-])[O-]
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records