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 52

ID	1207
Name	Armepavine
Pubchem ID	442169
KEGG ID	C09342
Source	Aniba canelilla
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	313.39
Exact mass	313.167794
Molecular formula	C₁₉H₂₃NO₃
XlogP	3.4
Topological Polar Surface Area	41.9
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	4
IUPAC Name	4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)O)OC)OC
Drugpedia	wiki
References	1. Oger,Can.J.Chem.,71,(1993),1128 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 2 of 52

ID	1208
Name	Armepavine
Pubchem ID	442169
KEGG ID	C09342
Source	Berberis integerrima
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	313.39
Exact mass	313.167794
Molecular formula	C₁₉H₂₃NO₃
XlogP	3.4
Topological Polar Surface Area	41.9
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	4
IUPAC Name	4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)O)OC)OC
Drugpedia	wiki
References	1. Karimov,Kim.Prir.Soedin.,(1993),70 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 3 of 52

ID	1209
Name	Armepavine
Pubchem ID	442169
KEGG ID	C09342
Source	Berberis turcomanica
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	313.39
Exact mass	313.167794
Molecular formula	C₁₉H₂₃NO₃
XlogP	3.4
Topological Polar Surface Area	41.9
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	4
IUPAC Name	4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)O)OC)OC
Drugpedia	wiki
References	1. Karimov,Khim.Prir.Soedin.,(1993),77 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 4 of 52

ID	1210
Name	Armepavine
Pubchem ID	442169
KEGG ID	C09342
Source	Euonymus europaea
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	313.39
Exact mass	313.167794
Molecular formula	C₁₉H₂₃NO₃
XlogP	3.4
Topological Polar Surface Area	41.9
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	4
IUPAC Name	4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)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. 5 of 52

ID	1211
Name	Armepavine
Pubchem ID	442169
KEGG ID	C09342
Source	Nelumbo nucifera
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	313.39
Exact mass	313.167794
Molecular formula	C₁₉H₂₃NO₃
XlogP	3.4
Topological Polar Surface Area	41.9
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	4
IUPAC Name	4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)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 52

ID	1212
Name	Armepavine
Pubchem ID	442169
KEGG ID	C09342
Source	Papaver caucasicum
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	313.39
Exact mass	313.167794
Molecular formula	C₁₉H₂₃NO₃
XlogP	3.4
Topological Polar Surface Area	41.9
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	4
IUPAC Name	4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)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. 7 of 52

ID	1213
Name	Armepavine
Pubchem ID	442169
KEGG ID	C09342
Source	Papaver persicum
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	313.39
Exact mass	313.167794
Molecular formula	C₁₉H₂₃NO₃
XlogP	3.4
Topological Polar Surface Area	41.9
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	4
IUPAC Name	4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)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. 8 of 52

ID	1214
Name	Armepavine
Pubchem ID	442169
KEGG ID	C09342
Source	Phoebe minutiflora
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	313.39
Exact mass	313.167794
Molecular formula	C₁₉H₂₃NO₃
XlogP	3.4
Topological Polar Surface Area	41.9
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	4
IUPAC Name	4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)O)OC)OC
Drugpedia	wiki
References	1. Huang,Chin.Pharm.J.(Taipei),49,(1997),217 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 9 of 52

ID	1215
Name	Armepavine
Pubchem ID	442169
KEGG ID	C09342
Source	Rhamnus frangula
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	313.39
Exact mass	313.167794
Molecular formula	C₁₉H₂₃NO₃
XlogP	3.4
Topological Polar Surface Area	41.9
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	4
IUPAC Name	4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)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. 10 of 52

ID	1216
Name	Armepavine
Pubchem ID	442169
KEGG ID	C09342
Source	Roemeria refracta
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	313.39
Exact mass	313.167794
Molecular formula	C₁₉H₂₃NO₃
XlogP	3.4
Topological Polar Surface Area	41.9
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	4
IUPAC Name	4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)O)OC)OC
Drugpedia	wiki
References	1. Gozler,J.Nat.Prod.,53,(1990),666 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 11 of 52

ID	1535
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Dicentra cucullaria
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. Source 2. Function 3. All Records

Record No. 12 of 52

ID	1536
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Adlumia fungosa
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. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 13 of 52

ID	1537
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Ceratocapnos palaestinus
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. Herath,J.Nat.Prod.,53,(1990),1006 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 14 of 52

ID	1538
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Corydalis caucasia
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. Denisenko,Khim.Prir.Soedin.,(1991),439 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 15 of 52

ID	1539
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Corydalis esquirolii
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. Li,Zhongcayao,22,(1991),486 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 16 of 52

ID	1540
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Corydalis hsuchowensis
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. Zhou,Planta Med.,57,(1991),156 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 17 of 52

ID	1541
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Corydalis incisa
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. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 18 of 52

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. 19 of 52

ID	1543
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Corydalis lutea
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. Yang,Phytochem.,33,(1993),943 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 20 of 52

ID	1544
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Corydalis majori
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. Allais,Plant Med.Phytother,22,(1988),219 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 21 of 52

ID	1545
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Corydalis nobilis
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. 22 of 52

ID	1546
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Corydalis omeiensis
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. Xia,Zhongguo Yaoxue Zazhi,25,(1990),716 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 23 of 52

ID	1547
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Corydalis racemosa
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. Joshi,Planta Med.,56,(1990),418 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 24 of 52

ID	1548
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Corydalis solida
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. Sener,J.Chem.Soc.Pak.,13,(1991),63 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 25 of 52

ID	1549
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Corydalis thalictrifolia
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. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 26 of 52

ID	1550
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Corydalis thyrsifolia
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. Li,Yaoxue Xuebao,26,(1991),303 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 27 of 52

ID	1551
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Fumaria bastardii
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. Kucukboyaci,Nat.Prod.Sci.,4,(1998),257 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 28 of 52

ID	1553
Name	Bicuculline
Pubchem ID	6958650
KEGG ID	N/A
Source	Dicentra cucullaria
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	368.36
Exact mass	368.113412
Molecular formula	C₂₀H₁₈NO₆+
XlogP	2.6
Topological Polar Surface Area	67.7
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	1
IUPAC Name	(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[NH+]1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Isomeric SMILE	C[NH+]1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 29 of 52

ID	2048
Name	DL-Laudanine
Pubchem ID	442304
KEGG ID	C09555
Source	Croton celtidifolius
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	343.42
Exact mass	343.178358
Molecular formula	C₂₀H₂₅NO₄
XlogP	3.3
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	5
IUPAC Name	5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)O)OC)OC
Drugpedia	wiki
References	1. Amaral,Planta Med.,63,(1997),485 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 30 of 52

ID	2049
Name	DL-Laudanine
Pubchem ID	442304
KEGG ID	C09555
Source	Papaver somniferum
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	343.42
Exact mass	343.178358
Molecular formula	C₂₀H₂₅NO₄
XlogP	3.3
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	5
IUPAC Name	5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)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. 31 of 52

ID	2050
Name	DL-Laudanine
Pubchem ID	442304
KEGG ID	C09555
Source	Phoebe minutiflora
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	343.42
Exact mass	343.178358
Molecular formula	C₂₀H₂₅NO₄
XlogP	3.3
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	5
IUPAC Name	5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)O)OC)OC
Drugpedia	wiki
References	1. Huang,Chin.Pharm.J.(Taipei),49,(1997),217 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 32 of 52

ID	2051
Name	DL-Laudanine
Pubchem ID	442304
KEGG ID	C09555
Source	Stephania aculeata
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	343.42
Exact mass	343.178358
Molecular formula	C₂₀H₂₅NO₄
XlogP	3.3
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	5
IUPAC Name	5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)O)OC)OC
Drugpedia	wiki
References	1. Blanchfield,Nat.Prod.Lett.,3,(1993),305 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 33 of 52

ID	2052
Name	DL-Laudanine
Pubchem ID	442304
KEGG ID	C09555
Source	Stephania bancroftii
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	343.42
Exact mass	343.178358
Molecular formula	C₂₀H₂₅NO₄
XlogP	3.3
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	5
IUPAC Name	5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)O)OC)OC
Drugpedia	wiki
References	1. Blanchfield,Nat.Prod.Lett.,3,(1993),305 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 34 of 52

ID	2053
Name	DL-Laudanine
Pubchem ID	442304
KEGG ID	C09555
Source	Stephania macrantha
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	343.42
Exact mass	343.178358
Molecular formula	C₂₀H₂₅NO₄
XlogP	3.3
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	5
IUPAC Name	5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)O)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 35 of 52

ID	2167
Name	Fugapavine
Pubchem ID	121336
KEGG ID	C09588
Source	Meconopsis cambrica
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.4
Topological Polar Surface Area	38.8
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	CN1CCC2=CC3=C(C4=C2C1CC45C=CC(=O)C=C5)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C4=C2[C@@H]1CC45C=CC(=O)C=C5)OCO3
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 36 of 52

ID	2168
Name	Fugapavine
Pubchem ID	121336
KEGG ID	C09588
Source	Papaver albiflorum
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.4
Topological Polar Surface Area	38.8
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	CN1CCC2=CC3=C(C4=C2C1CC45C=CC(=O)C=C5)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C4=C2[C@@H]1CC45C=CC(=O)C=C5)OCO3
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,55,(1990),1812 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 37 of 52

ID	2169
Name	Fugapavine
Pubchem ID	121336
KEGG ID	C09588
Source	Papaver caucasicum
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.4
Topological Polar Surface Area	38.8
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	CN1CCC2=CC3=C(C4=C2C1CC45C=CC(=O)C=C5)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C4=C2[C@@H]1CC45C=CC(=O)C=C5)OCO3
Drugpedia	wiki
References	1. Shafiee,J.Sci.Islamic Repub.Iran,7,(1996),263 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 38 of 52

ID	2170
Name	Fugapavine
Pubchem ID	121336
KEGG ID	C09588
Source	Papaver confine
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.4
Topological Polar Surface Area	38.8
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	CN1CCC2=CC3=C(C4=C2C1CC45C=CC(=O)C=C5)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C4=C2[C@@H]1CC45C=CC(=O)C=C5)OCO3
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,54,(1989),118 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 39 of 52

ID	2171
Name	Fugapavine
Pubchem ID	121336
KEGG ID	C09588
Source	Papaver dubium
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.4
Topological Polar Surface Area	38.8
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	CN1CCC2=CC3=C(C4=C2C1CC45C=CC(=O)C=C5)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C4=C2[C@@H]1CC45C=CC(=O)C=C5)OCO3
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 40 of 52

ID	2172
Name	Fugapavine
Pubchem ID	121336
KEGG ID	C09588
Source	Papaver fugax
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.4
Topological Polar Surface Area	38.8
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	CN1CCC2=CC3=C(C4=C2C1CC45C=CC(=O)C=C5)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C4=C2[C@@H]1CC45C=CC(=O)C=C5)OCO3
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 41 of 52

ID	2173
Name	Fugapavine
Pubchem ID	121336
KEGG ID	C09588
Source	Papaver stevenianum
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.4
Topological Polar Surface Area	38.8
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	CN1CCC2=CC3=C(C4=C2C1CC45C=CC(=O)C=C5)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C4=C2[C@@H]1CC45C=CC(=O)C=C5)OCO3
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,55,(1990),1812 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 42 of 52

ID	2174
Name	Fugapavine
Pubchem ID	121336
KEGG ID	C09588
Source	Papaver trinifolium
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.4
Topological Polar Surface Area	38.8
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	CN1CCC2=CC3=C(C4=C2C1CC45C=CC(=O)C=C5)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C4=C2[C@@H]1CC45C=CC(=O)C=C5)OCO3
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 43 of 52

ID	2556
Name	Lophophorine
Pubchem ID	442315
KEGG ID	C09573
Source	Lophophora williamsii
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	235.28
Exact mass	235.120843
Molecular formula	C₁₃H₁₇NO₃
XlogP	2
Topological Polar Surface Area	30.9
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	1
IUPAC Name	(9S)-4-methoxy-8,9-dimethyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC1C2=C3C(=C(C=C2CCN1C)OC)OCO3
Isomeric SMILE	C[C@H]1C2=C3C(=C(C=C2CCN1C)OC)OCO3
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 44 of 52

ID	3414
Name	Thebaine
Pubchem ID	5324289
KEGG ID	C06173
Source	Papaver albiflorum
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	311.37
Exact mass	311.152144
Molecular formula	C₁₉H₂₁NO₃
XlogP	2.2
Topological Polar Surface Area	30.9
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	CN1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)OC)O4)OC
Isomeric SMILE	CN1CC[C@]23[C@@H]4C(=CC=C2[C@H]1CC5=C3C(=C(C=C5)OC)O4)OC
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,55,(1990),1812 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 45 of 52

ID	3415
Name	Thebaine
Pubchem ID	5324289
KEGG ID	C06173
Source	Papaver bracteatum
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	311.37
Exact mass	311.152144
Molecular formula	C₁₉H₂₁NO₃
XlogP	2.2
Topological Polar Surface Area	30.9
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	CN1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)OC)O4)OC
Isomeric SMILE	CN1CC[C@]23[C@@H]4C(=CC=C2[C@H]1CC5=C3C(=C(C=C5)OC)O4)OC
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 46 of 52

ID	3416
Name	Thebaine
Pubchem ID	5324289
KEGG ID	C06173
Source	Papaver confine
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	311.37
Exact mass	311.152144
Molecular formula	C₁₉H₂₁NO₃
XlogP	2.2
Topological Polar Surface Area	30.9
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	CN1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)OC)O4)OC
Isomeric SMILE	CN1CC[C@]23[C@@H]4C(=CC=C2[C@H]1CC5=C3C(=C(C=C5)OC)O4)OC
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,54,(1989),118 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 47 of 52

ID	3417
Name	Thebaine
Pubchem ID	5324289
KEGG ID	C06173
Source	Papaver fugax
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	311.37
Exact mass	311.152144
Molecular formula	C₁₉H₂₁NO₃
XlogP	2.2
Topological Polar Surface Area	30.9
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	CN1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)OC)O4)OC
Isomeric SMILE	CN1CC[C@]23[C@@H]4C(=CC=C2[C@H]1CC5=C3C(=C(C=C5)OC)O4)OC
Drugpedia	wiki
References	1. Shafiee,J.Sci.Islamic Repub..Iran,8,(1997),166 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 48 of 52

ID	3418
Name	Thebaine
Pubchem ID	5324289
KEGG ID	C06173
Source	Papaver macrantha
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	311.37
Exact mass	311.152144
Molecular formula	C₁₉H₂₁NO₃
XlogP	2.2
Topological Polar Surface Area	30.9
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	CN1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)OC)O4)OC
Isomeric SMILE	CN1CC[C@]23[C@@H]4C(=CC=C2[C@H]1CC5=C3C(=C(C=C5)OC)O4)OC
Drugpedia	wiki
References	1. Novak,Sb.Vys.Zemed.Praze Fak.Agron.Rada A-C,53,(1991),11 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 49 of 52

ID	3419
Name	Thebaine
Pubchem ID	5324289
KEGG ID	C06173
Source	Papaver pinnatifidum
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	311.37
Exact mass	311.152144
Molecular formula	C₁₉H₂₁NO₃
XlogP	2.2
Topological Polar Surface Area	30.9
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	CN1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)OC)O4)OC
Isomeric SMILE	CN1CC[C@]23[C@@H]4C(=CC=C2[C@H]1CC5=C3C(=C(C=C5)OC)O4)OC
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,59,(1994),1879 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 50 of 52

ID	3420
Name	Thebaine
Pubchem ID	5324289
KEGG ID	C06173
Source	Papaver setigerum
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	311.37
Exact mass	311.152144
Molecular formula	C₁₉H₂₁NO₃
XlogP	2.2
Topological Polar Surface Area	30.9
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	CN1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)OC)O4)OC
Isomeric SMILE	CN1CC[C@]23[C@@H]4C(=CC=C2[C@H]1CC5=C3C(=C(C=C5)OC)O4)OC
Drugpedia	wiki
References	1. Slavikova,Collect.Czech.Chem.Commun.,61,(1996),1047 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 51 of 52

ID	3421
Name	Thebaine
Pubchem ID	5324289
KEGG ID	C06173
Source	Papaver somniferum
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	311.37
Exact mass	311.152144
Molecular formula	C₁₉H₂₁NO₃
XlogP	2.2
Topological Polar Surface Area	30.9
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	CN1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)OC)O4)OC
Isomeric SMILE	CN1CC[C@]23[C@@H]4C(=CC=C2[C@H]1CC5=C3C(=C(C=C5)OC)O4)OC
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 52 of 52

ID	3422
Name	Thebaine
Pubchem ID	5324289
KEGG ID	C06173
Source	Papaver stevenianum
Type	Natural
Function	Convulsions
Drug Like Properties	Yes
Molecular Weight	311.37
Exact mass	311.152144
Molecular formula	C₁₉H₂₁NO₃
XlogP	2.2
Topological Polar Surface Area	30.9
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	CN1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)OC)O4)OC
Isomeric SMILE	CN1CC[C@]23[C@@H]4C(=CC=C2[C@H]1CC5=C3C(=C(C=C5)OC)O4)OC
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,55,(1990),1812 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records