BIAdb: A Database for Benzylisoquinoline Alkaloids

Record No. 1 of 6

ID	3187
Name	Sanguinarine
Pubchem ID	68635
KEGG ID	D05799
Source	Sanguinaria
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. 2 of 6

ID	3189
Name	Sanguinarine
Pubchem ID	68635
KEGG ID	D05799
Source	Sanguinaria
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. 3 of 6

ID	3191
Name	Sanguinarine
Pubchem ID	68635
KEGG ID	D05799
Source	Sanguinaria
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. 4 of 6

ID	3193
Name	Sanguinarine
Pubchem ID	68635
KEGG ID	D05799
Source	Sanguinaria
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. 5 of 6

ID	3195
Name	Sanguinarine
Pubchem ID	72619
KEGG ID	N/A
Source	Sanguinaria
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. 6 of 6

ID	3197
Name	Sanguinarine
Pubchem ID	72619
KEGG ID	N/A
Source	Sanguinaria
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