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 29

ID	1816
Name	Codeine
Pubchem ID	5284371
KEGG ID	C06174
Source	Papaver somniferum
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	299.36
Exact mass	299.152144
Molecular formula	C₁₈H₂₁NO₃
XlogP	1.1
Topological Polar Surface Area	41.9
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	CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O
Isomeric SMILE	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 2 of 29

ID	1818
Name	Codeine
Pubchem ID	5284371
KEGG ID	C06174
Source	Papaver somniferum
Type	Natural
Function	Analgesic
Drug Like Properties	Yes
Molecular Weight	299.36
Exact mass	299.152144
Molecular formula	C₁₈H₂₁NO₃
XlogP	1.1
Topological Polar Surface Area	41.9
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	CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O
Isomeric SMILE	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O
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 29

ID	1820
Name	Codeine
Pubchem ID	5284371
KEGG ID	C06174
Source	Papaver somniferum
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	299.36
Exact mass	299.152144
Molecular formula	C₁₈H₂₁NO₃
XlogP	1.1
Topological Polar Surface Area	41.9
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	CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O
Isomeric SMILE	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 4 of 29

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. 5 of 29

ID	2697
Name	Morphine
Pubchem ID	16051935
KEGG ID	N/A
Source	Papaver somniferum
Type	Natural
Function	Analgesic
Drug Like Properties	No
Molecular Weight	668.75
Exact mass	668.240366
Molecular formula	C₃₄H₄₀N₂O₁₀S
XlogP	N/A
Topological Polar Surface Area	181
H-Bond Donor	6
H-Bond Acceptor	12
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O.OS(=O)(=O)O
Isomeric SMILE	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O.OS(=O)(=O)O
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 6 of 29

ID	2703
Name	Morphine
Pubchem ID	5462237
KEGG ID	C01516
Source	Papaver somniferum
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	285.34
Exact mass	285.136493
Molecular formula	C₁₇H₁₉NO₃
XlogP	0.8
Topological Polar Surface Area	52.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O
Isomeric SMILE	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C(C=C4)O
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 29

ID	2705
Name	Morphine
Pubchem ID	5462237
KEGG ID	C01516
Source	Papaver somniferum
Type	Natural
Function	Analgesic
Drug Like Properties	Yes
Molecular Weight	285.34
Exact mass	285.136493
Molecular formula	C₁₇H₁₉NO₃
XlogP	0.8
Topological Polar Surface Area	52.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O
Isomeric SMILE	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C(C=C4)O
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 29

ID	2745
Name	Narcein
Pubchem ID	8564
KEGG ID	C09591
Source	Papaver somniferum
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	445.46
Exact mass	445.173667
Molecular formula	C₂₃H₂₇NO₈
XlogP	0.5
Topological Polar Surface Area	104
H-Bond Donor	1
H-Bond Acceptor	9
Rotational Bond Count	10
IUPAC Name	6-[2-[6-(2-dimethylaminoethyl)-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN(C)CCC1=CC2=C(C(=C1CC(=O)C3=C(C(=C(C=C3)OC)OC)C(=O)O)OC)OCO2
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 29

ID	2747
Name	Narcotoline
Pubchem ID	442330
KEGG ID	C09593
Source	Papaver somniferum
Type	Natural
Function	Respiratory stimulant
Drug Like Properties	Yes
Molecular Weight	399.39
Exact mass	399.131802
Molecular formula	C₂₁H₂₁NO₇
XlogP	2.4
Topological Polar Surface Area	86.7
H-Bond Donor	1
H-Bond Acceptor	8
Rotational Bond Count	3
IUPAC Name	(3S)-3-[(5R)-4-hydroxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-3H-2-benzofuran-1-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)O)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)O)OCO3
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 29

ID	2864
Name	Opium
Pubchem ID	24840907
KEGG ID	N/A
Source	Papaver somniferum
Type	Natural
Function	Analgesic
Drug Like Properties	No
Molecular Weight	960.55
Exact mass	959.412373
Molecular formula	C₅₅H₆₂ClN₃O₁₀
XlogP	N/A
Topological Polar Surface Area	145
H-Bond Donor	4
H-Bond Acceptor	13
Rotational Bond Count	7
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl
Isomeric SMILE	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)OC3[C@H](C=C4)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)OC3[C@H](C=C4)O.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 11 of 29

ID	2866
Name	Opium
Pubchem ID	24840907
KEGG ID	N/A
Source	Papaver somniferum
Type	Natural
Function	Antitussive
Drug Like Properties	No
Molecular Weight	960.55
Exact mass	959.412373
Molecular formula	C₅₅H₆₂ClN₃O₁₀
XlogP	N/A
Topological Polar Surface Area	145
H-Bond Donor	4
H-Bond Acceptor	13
Rotational Bond Count	7
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl
Isomeric SMILE	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)OC3[C@H](C=C4)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)OC3[C@H](C=C4)O.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 12 of 29

ID	2868
Name	Opium
Pubchem ID	24840907
KEGG ID	N/A
Source	Papaver somniferum
Type	Natural
Function	Antidiarrheal
Drug Like Properties	No
Molecular Weight	960.55
Exact mass	959.412373
Molecular formula	C₅₅H₆₂ClN₃O₁₀
XlogP	N/A
Topological Polar Surface Area	145
H-Bond Donor	4
H-Bond Acceptor	13
Rotational Bond Count	7
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl
Isomeric SMILE	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)OC3[C@H](C=C4)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)OC3[C@H](C=C4)O.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 13 of 29

ID	2870
Name	Opium
Pubchem ID	24840907
KEGG ID	N/A
Source	Papaver somniferum
Type	Natural
Function	Antispasmodic
Drug Like Properties	No
Molecular Weight	960.55
Exact mass	959.412373
Molecular formula	C₅₅H₆₂ClN₃O₁₀
XlogP	N/A
Topological Polar Surface Area	145
H-Bond Donor	4
H-Bond Acceptor	13
Rotational Bond Count	7
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl
Isomeric SMILE	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)OC3[C@H](C=C4)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)OC3[C@H](C=C4)O.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 14 of 29

ID	2898
Name	Papaverine
Pubchem ID	4680
KEGG ID	C06533
Source	Papaver somniferum
Type	Natural
Function	Smooth muscle relaxant
Drug Like Properties	Yes
Molecular Weight	339.39
Exact mass	339.147058
Molecular formula	C₂₀H₂₁NO₄
XlogP	3.9
Topological Polar Surface Area	49.8
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	6
IUPAC Name	1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC
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. 15 of 29

ID	2900
Name	Papaverine
Pubchem ID	4680
KEGG ID	C06533
Source	Papaver somniferum
Type	Natural
Function	Vasodilator
Drug Like Properties	Yes
Molecular Weight	339.39
Exact mass	339.147058
Molecular formula	C₂₀H₂₁NO₄
XlogP	3.9
Topological Polar Surface Area	49.8
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	6
IUPAC Name	1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC
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. 16 of 29

ID	2902
Name	Papaverine
Pubchem ID	4680
KEGG ID	C06533
Source	Papaver somniferum
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	339.39
Exact mass	339.147058
Molecular formula	C₂₀H₂₁NO₄
XlogP	3.9
Topological Polar Surface Area	49.8
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	6
IUPAC Name	1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC
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. 17 of 29

ID	2904
Name	Papaverine
Pubchem ID	6084
KEGG ID	D02218
Source	Papaver somniferum
Type	Natural
Function	Smooth muscle relaxant
Drug Like Properties	No
Molecular Weight	375.85
Exact mass	375.123736
Molecular formula	C₂₀H₂₂ClNO₄
XlogP	N/A
Topological Polar Surface Area	49.8
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	6
IUPAC Name	1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline hydrochloride
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 18 of 29

ID	2905
Name	Papaverine
Pubchem ID	6084
KEGG ID	D02218
Source	Papaver somniferum
Type	Natural
Function	Vasodilator
Drug Like Properties	No
Molecular Weight	375.85
Exact mass	375.123736
Molecular formula	C₂₀H₂₂ClNO₄
XlogP	N/A
Topological Polar Surface Area	49.8
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	6
IUPAC Name	1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline hydrochloride
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 19 of 29

ID	2906
Name	Papaverine
Pubchem ID	6084
KEGG ID	D02218
Source	Papaver somniferum
Type	Natural
Function	Antitussive
Drug Like Properties	No
Molecular Weight	375.85
Exact mass	375.123736
Molecular formula	C₂₀H₂₂ClNO₄
XlogP	N/A
Topological Polar Surface Area	49.8
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	6
IUPAC Name	1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline hydrochloride
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 20 of 29

ID	3023
Name	Protopine
Pubchem ID	4970
KEGG ID	C05189
Source	Papaver somniferum
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. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 21 of 29

ID	3075
Name	Reticuline
Pubchem ID	10233
KEGG ID	C12328
Source	Papaver somniferum
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. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 22 of 29

ID	3127
Name	Salutaridine
Pubchem ID	5408233
KEGG ID	C05179
Source	Papaver somniferum
Type	Natural
Function	Anticancer
Drug Like Properties	Yes
Molecular Weight	327.37
Exact mass	327.147058
Molecular formula	C₁₉H₂₁NO₄
XlogP	1.9
Topological Polar Surface Area	59
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	CN1CCC23C=C(C(=O)C=C2C1CC4=C3C(=C(C=C4)OC)O)OC
Isomeric SMILE	CN1CC[C@]23C=C(C(=O)C=C2[C@H]1CC4=C3C(=C(C=C4)OC)O)OC
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 23 of 29

ID	3141
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Papaver somniferum
Type	Natural
Function	Anti-inflammatory
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. 24 of 29

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. 25 of 29

ID	3169
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Papaver somniferum
Type	Natural
Function	Antibacterial
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. 26 of 29

ID	3183
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Papaver somniferum
Type	Natural
Function	Cytotoxic
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. 27 of 29

ID	3265
Name	Stepholidine
Pubchem ID	5290
KEGG ID	N/A
Source	Papaver somniferum
Type	Natural
Function	Dopamine D1 agonist
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	3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C(=C(C=C4)O)OC)O
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 28 of 29

ID	3266
Name	Stepholidine
Pubchem ID	5290
KEGG ID	N/A
Source	Papaver somniferum
Type	Natural
Function	Dopamine D2 antagonist
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	3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C(=C(C=C4)O)OC)O
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 29 of 29

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