BIAdb: A Database for Benzylisoquinoline Alkaloids

Record No. 1 of 10

ID	1567
Name	Boldine
Pubchem ID	10154
KEGG ID	C09365
Source	Corydalis claviculata
Type	Natural
Function	Choleretics
Drug Like Properties	Yes
Molecular Weight	327.37
Exact mass	327.147058
Molecular formula	C₁₉H₂₁NO₄
XlogP	2.7
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)OC)O
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)OC)O
Drugpedia	wiki
References	1. Allais,J.Nat.Prod.,53,(1990),1280 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 2 of 10

ID	1582
Name	Boldine
Pubchem ID	10154
KEGG ID	C09365
Source	Corydalis claviculata
Type	Natural
Function	laxative
Drug Like Properties	Yes
Molecular Weight	327.37
Exact mass	327.147058
Molecular formula	C₁₉H₂₁NO₄
XlogP	2.7
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)OC)O
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)OC)O
Drugpedia	wiki
References	1. Allais,J.Nat.Prod.,53,(1990),1280 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 3 of 10

ID	1597
Name	Boldine
Pubchem ID	10154
KEGG ID	C09365
Source	Corydalis claviculata
Type	Natural
Function	Antioxidant
Drug Like Properties	Yes
Molecular Weight	327.37
Exact mass	327.147058
Molecular formula	C₁₉H₂₁NO₄
XlogP	2.7
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)OC)O
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)OC)O
Drugpedia	wiki
References	1. Allais,J.Nat.Prod.,53,(1990),1280 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 4 of 10

ID	1963
Name	Cularicine
Pubchem ID	442201
KEGG ID	C09398
Source	Corydalis claviculata
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	311.33
Exact mass	311.115758
Molecular formula	C₁₈H₁₇NO₄
XlogP	2.8
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=C3C1CC4=CC5=C(C=C4OC3=C(C=C2)O)OCO5
Isomeric SMILE	CN1CCC2=C3[C@@H]1CC4=CC5=C(C=C4OC3=C(C=C2)O)OCO5
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 10

ID	1964
Name	Cularidine
Pubchem ID	442203
KEGG ID	C09400
Source	Corydalis claviculata
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	327.37
Exact mass	327.147058
Molecular formula	C₁₉H₂₁NO₄
XlogP	3
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=C3C1CC4=CC(=C(C=C4OC3=C(C=C2)O)OC)OC
Isomeric SMILE	CN1CCC2=C3[C@@H]1CC4=CC(=C(C=C4OC3=C(C=C2)O)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. 6 of 10

ID	1970
Name	Cularine
Pubchem ID	94150
KEGG ID	C09411
Source	Corydalis claviculata
Type	Natural
Function	Relaxant
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	3.3
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=C3C1CC4=CC(=C(C=C4OC3=C(C=C2)OC)OC)OC
Isomeric SMILE	CN1CCC2=C3[C@@H]1CC4=CC(=C(C=C4OC3=C(C=C2)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. 7 of 10

ID	2250
Name	Glaziovine
Pubchem ID	442245
KEGG ID	C09457
Source	Corydalis claviculata
Type	Natural
Function	Antidepressant
Drug Like Properties	Yes
Molecular Weight	297.35
Exact mass	297.136493
Molecular formula	C₁₈H₁₉NO₃
XlogP	2.2
Topological Polar Surface Area	49.8
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC34C=CC(=O)C=C4)O)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@H]1CC34C=CC(=O)C=C4)O)OC
Drugpedia	wiki
References	1. Allais,J.Nat.Prod.,53,(1990),1280 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 8 of 10

ID	2976
Name	Protopine
Pubchem ID	4970
KEGG ID	C05189
Source	Corydalis claviculata
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. Allais,J.Nat.Prod.,53,(1990),1280 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 9 of 10

ID	3057
Name	Reticuline
Pubchem ID	10233
KEGG ID	C12328
Source	Corydalis claviculata
Type	Natural
Function	Dopamine Antagonist
Drug Like Properties	Yes
Molecular Weight	329.39
Exact mass	329.162708
Molecular formula	C₁₉H₂₃NO₄
XlogP	3
Topological Polar Surface Area	62.2
H-Bond Donor	2
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Allais,J.Nat.Prod.,53,(1990),1280 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 10 of 10

ID	3274
Name	Stylopine
Pubchem ID	440583
KEGG ID	C05175
Source	Corydalis claviculata
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. Allais,J.Nat.Prod.,53,(1990),1280 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records