BIAdb: A Database for Benzylisoquinoline Alkaloids

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Citation: If you are using this server please cite:- Singla D, Sharma A, Kaur J, Panwar B, and Raghava GPS (2010): BIAdb: A curated database of benzylisoquinoline alkaloids. BMC Pharmacology 10:4.

Record No. 1 of 18

ID	3144
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Bocconia frutescens
Type	Natural
Function	Glutamate decarboxylase inhibitor
Drug Like Properties	Yes
Molecular Weight	332.33
Exact mass	332.092283
Molecular formula	C₂₀H₁₄NO₄+
XlogP	4.4
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
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
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Abizov,Khim.-Farm.Zh.,37,(2003),350 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 2 of 18

ID	3145
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Chelidonium majus
Type	Natural
Function	Glutamate decarboxylase inhibitor
Drug Like Properties	Yes
Molecular Weight	332.33
Exact mass	332.092283
Molecular formula	C₂₀H₁₄NO₄+
XlogP	4.4
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
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
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 18

ID	3146
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Coptis japonica
Type	Natural
Function	Glutamate decarboxylase inhibitor
Drug Like Properties	Yes
Molecular Weight	332.33
Exact mass	332.092283
Molecular formula	C₂₀H₁₄NO₄+
XlogP	4.4
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
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
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Yoneda,Shoyakugaku Zasshi,44,(1990),196 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 4 of 18

ID	3147
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Dicentra peregrina
Type	Natural
Function	Glutamate decarboxylase inhibitor
Drug Like Properties	Yes
Molecular Weight	332.33
Exact mass	332.092283
Molecular formula	C₂₀H₁₄NO₄+
XlogP	4.4
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
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
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. 5 of 18

ID	3148
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Dicentra spectabilis
Type	Natural
Function	Glutamate decarboxylase inhibitor
Drug Like Properties	Yes
Molecular Weight	332.33
Exact mass	332.092283
Molecular formula	C₂₀H₁₄NO₄+
XlogP	4.4
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
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
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. 6 of 18

ID	3149
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Dicranostigma lactucoides
Type	Natural
Function	Glutamate decarboxylase inhibitor
Drug Like Properties	Yes
Molecular Weight	332.33
Exact mass	332.092283
Molecular formula	C₂₀H₁₄NO₄+
XlogP	4.4
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
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
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Dostal,Fitoterapia,63,(1992),67 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 7 of 18

ID	3150
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Eschscholtzia california
Type	Natural
Function	Glutamate decarboxylase inhibitor
Drug Like Properties	Yes
Molecular Weight	332.33
Exact mass	332.092283
Molecular formula	C₂₀H₁₄NO₄+
XlogP	4.4
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
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
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Jain,Planta Med.,52,(1996),188 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 8 of 18

ID	3151
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Fumaria officinalis
Type	Natural
Function	Glutamate decarboxylase inhibitor
Drug Like Properties	Yes
Molecular Weight	332.33
Exact mass	332.092283
Molecular formula	C₂₀H₁₄NO₄+
XlogP	4.4
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
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
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. 9 of 18

ID	3152
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Glaucium flavum
Type	Natural
Function	Glutamate decarboxylase inhibitor
Drug Like Properties	Yes
Molecular Weight	332.33
Exact mass	332.092283
Molecular formula	C₂₀H₁₄NO₄+
XlogP	4.4
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
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
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Kintsurashvili,Chem.Nat.Compd.,35,(2000),225 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 10 of 18

ID	3153
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Macleaya cordata
Type	Natural
Function	Glutamate decarboxylase inhibitor
Drug Like Properties	Yes
Molecular Weight	332.33
Exact mass	332.092283
Molecular formula	C₂₀H₁₄NO₄+
XlogP	4.4
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
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
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Tolkachev,Pharm.Chem.J.,33,(1999),86 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 11 of 18

ID	3154
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Macleaya microcarpa
Type	Natural
Function	Glutamate decarboxylase inhibitor
Drug Like Properties	Yes
Molecular Weight	332.33
Exact mass	332.092283
Molecular formula	C₂₀H₁₄NO₄+
XlogP	4.4
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
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
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Abizov,Khim.-Farm.Zh.,37,(2003),350 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 12 of 18

ID	3155
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Papaver somniferum
Type	Natural
Function	Glutamate decarboxylase inhibitor
Drug Like Properties	Yes
Molecular Weight	332.33
Exact mass	332.092283
Molecular formula	C₂₀H₁₄NO₄+
XlogP	4.4
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
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
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. 13 of 18

ID	3156
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Sanguinaria canadensis
Type	Natural
Function	Glutamate decarboxylase inhibitor
Drug Like Properties	Yes
Molecular Weight	332.33
Exact mass	332.092283
Molecular formula	C₂₀H₁₄NO₄+
XlogP	4.4
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
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
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. 14 of 18

ID	3157
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Stylophorum lasiocarpum
Type	Natural
Function	Glutamate decarboxylase inhibitor
Drug Like Properties	Yes
Molecular Weight	332.33
Exact mass	332.092283
Molecular formula	C₂₀H₁₄NO₄+
XlogP	4.4
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
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
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,56,(1991),1116 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 15 of 18

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. 16 of 18

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. 17 of 18

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. 18 of 18

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