BIAdb: A Database for Benzylisoquinoline Alkaloids

Navigation

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 14

ID	1116
Name	Allocryptopine
Pubchem ID	98570
KEGG ID	C02134
Source	Corydalis intermedia
Type	Natural
Function	Oxytocic agent
Drug Like Properties	Yes
Molecular Weight	369.41
Exact mass	369.157623
Molecular formula	C₂₁H₂₃NO₅
XlogP	2.9
Topological Polar Surface Area	57.2
H-Bond Donor	0
H-Bond Acceptor	6
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OCO3
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,54,(1989),2009 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 2 of 14

ID	1352
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Corydalis intermedia
Type	Natural
Function	Antiparasitic
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 3 of 14

ID	1404
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Corydalis intermedia
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 4 of 14

ID	1456
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Corydalis intermedia
Type	Natural
Function	Antidiarrheal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 5 of 14

ID	1525
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Corydalis intermedia
Type	Natural
Function	GABA-A antagonist
Drug Like Properties	Yes
Molecular Weight	367.35
Exact mass	367.105587
Molecular formula	C₂₀H₁₇NO₆
XlogP	2.6
Topological Polar Surface Area	66.5
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,54,(1989),2009 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 6 of 14

ID	1542
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Corydalis intermedia
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	367.35
Exact mass	367.105587
Molecular formula	C₂₀H₁₇NO₆
XlogP	2.6
Topological Polar Surface Area	66.5
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,54,(1989),2009 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 7 of 14

ID	1627
Name	Bulbocapnine
Pubchem ID	12441
KEGG ID	C09367
Source	Corydalis intermedia
Type	Natural
Function	Dopamine Antagonist
Drug Like Properties	Yes
Molecular Weight	325.36
Exact mass	325.131408
Molecular formula	C₁₉H₁₉NO₄
XlogP	2.9
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C4=C2C1CC5=C4C(=C(C=C5)OC)O)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=C4C(=C(C=C5)OC)O)OCO3
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,54,(1989),2009 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 8 of 14

ID	1945
Name	Corydaline
Pubchem ID	101301
KEGG ID	C15530
Source	Corydalis intermedia
Type	Natural
Function	Acetylcholinesterase inhibitor
Drug Like Properties	Yes
Molecular Weight	369.45
Exact mass	369.194008
Molecular formula	C₂₂H₂₇NO₄
XlogP	3.6
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13S,13aR)-2,3,9,10-tetramethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC1C2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)OC)OC)OC
Isomeric SMILE	C[C@@H]1[C@@H]2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)OC)OC)OC
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,54,(1989),2009 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 9 of 14

ID	2426
Name	Isoteolin
Pubchem ID	133323
KEGG ID	C09541
Source	Corydalis intermedia
Type	Natural
Function	Insect feeding inhibitor
Drug Like Properties	Yes
Molecular Weight	327.37
Exact mass	327.147058
Molecular formula	C₁₉H₂₁NO₄
XlogP	2.2
Topological Polar Surface Area	62.2
H-Bond Donor	2
H-Bond Acceptor	5
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)O)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)O)OC
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,54,(1989),2009 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 10 of 14

ID	2590
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Corydalis intermedia
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,54,(1989),2009 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 11 of 14

ID	2638
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Corydalis intermedia
Type	Natural
Function	Antioxidant
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,54,(1989),2009 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 12 of 14

ID	2980
Name	Protopine
Pubchem ID	4970
KEGG ID	C05189
Source	Corydalis intermedia
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. Slavik,Collect.Czech.Chem.Commun.,54,(1989),2009 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 13 of 14

ID	3233
Name	(S)-Scoulerine
Pubchem ID	439654
KEGG ID	C02106
Source	Corydalis intermedia
Type	Natural
Function	Unknown
Drug Like Properties	Yes
Molecular Weight	327.37
Exact mass	327.147058
Molecular formula	C₁₉H₂₁NO₄
XlogP	2.6
Topological Polar Surface Area	62.2
H-Bond Donor	2
H-Bond Acceptor	5
Rotational Bond Count	2
IUPAC Name	(13aS)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)O
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)O
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,54,(1989),2009 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 14 of 14

ID	3276
Name	Stylopine
Pubchem ID	440583
KEGG ID	C05175
Source	Corydalis intermedia
Type	Natural
Function	Unknown
Drug Like Properties	Yes
Molecular Weight	323.34
Exact mass	323.115758
Molecular formula	C₁₉H₁₇NO₄
XlogP	3
Topological Polar Surface Area	40.2
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	C1CN2CC3=C(CC2C4=CC5=C(C=C41)OCO5)C=CC6=C3OCO6
Isomeric SMILE	C1CN2CC3=C(C[C@H]2C4=CC5=C(C=C41)OCO5)C=CC6=C3OCO6
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,54,(1989),2009 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records