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 68

ID	1157
Name	Angoline
Pubchem ID	189060
KEGG ID	C09336
Source	Bocconia arborea
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	379.41
Exact mass	379.141973
Molecular formula	C₂₂H₂₁NO₅
XlogP	4.2
Topological Polar Surface Area	49.4
H-Bond Donor	0
H-Bond Acceptor	6
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1C(C2=C(C=CC(=C2OC)OC)C3=C1C4=CC5=C(C=C4C=C3)OCO5)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. 2 of 68

ID	1158
Name	Angoline
Pubchem ID	189060
KEGG ID	C09336
Source	Fagara angolensis
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	379.41
Exact mass	379.141973
Molecular formula	C₂₂H₂₁NO₅
XlogP	4.2
Topological Polar Surface Area	49.4
H-Bond Donor	0
H-Bond Acceptor	6
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1C(C2=C(C=CC(=C2OC)OC)C3=C1C4=CC5=C(C=C4C=C3)OCO5)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. 3 of 68

ID	1186
Name	Antioquine
Pubchem ID	125069
KEGG ID	N/A
Source	Pseudoxandra sclerocarpa
Type	Natural
Function	Cytotoxic
Drug Like Properties	No
Molecular Weight	608.72
Exact mass	608.288637
Molecular formula	C₃₇H₄₀N₂O₆
XlogP	6.1
Topological Polar Surface Area	83.9
H-Bond Donor	2
H-Bond Acceptor	8
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C1CC4=CC(=C(C=C4)O)C5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@H]1CC4=CC(=C(C=C4)O)C5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)O)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 4 of 68

ID	1230
Name	Asimilobine-2-O-glucoside
Pubchem ID	158546
KEGG ID	N/A
Source	Stephania pierrei
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	429.46
Exact mass	429.178752
Molecular formula	C₂₃H₂₇NO₇
XlogP	0.8
Topological Polar Surface Area	121
H-Bond Donor	5
H-Bond Acceptor	8
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C=C2CCNC3C2=C1C4=CC=CC=C4C3)OC5C(C(C(C(O5)CO)O)O)O
Isomeric SMILE	COC1=C(C=C2CCN[C@H]3C2=C1C4=CC=CC=C4C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 5 of 68

ID	1249
Name	Atherospermidine
Pubchem ID	77514
KEGG ID	C09347
Source	Artabotrys maingayi
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	305.28
Exact mass	305.068808
Molecular formula	C₁₈H₁₁NO₄
XlogP	3.4
Topological Polar Surface Area	57.7
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C2C(=C3C4=CC=CC=C4C(=O)C5=NC=CC1=C35)OCO2
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 6 of 68

ID	1250
Name	Atherospermidine
Pubchem ID	77514
KEGG ID	C09347
Source	Artabotrys uncinatus
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	305.28
Exact mass	305.068808
Molecular formula	C₁₈H₁₁NO₄
XlogP	3.4
Topological Polar Surface Area	57.7
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C2C(=C3C4=CC=CC=C4C(=O)C5=NC=CC1=C35)OCO2
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Wu,Phytochem.,28,(1989),2191 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 7 of 68

ID	1251
Name	Atherospermidine
Pubchem ID	77514
KEGG ID	C09347
Source	Atherosperma moschatum
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	305.28
Exact mass	305.068808
Molecular formula	C₁₈H₁₁NO₄
XlogP	3.4
Topological Polar Surface Area	57.7
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C2C(=C3C4=CC=CC=C4C(=O)C5=NC=CC1=C35)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. 8 of 68

ID	1252
Name	Atherospermidine
Pubchem ID	77514
KEGG ID	C09347
Source	Guatteria psilopus
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	305.28
Exact mass	305.068808
Molecular formula	C₁₈H₁₁NO₄
XlogP	3.4
Topological Polar Surface Area	57.7
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C2C(=C3C4=CC=CC=C4C(=O)C5=NC=CC1=C35)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 68

ID	1322
Name	Berbamunine
Pubchem ID	440585
KEGG ID	C05177
Source	Stephania pierrei
Type	Natural
Function	Cytotoxic
Drug Like Properties	No
Molecular Weight	596.71
Exact mass	596.288637
Molecular formula	C₃₆H₄₀N₂O₆
XlogP	6
Topological Polar Surface Area	94.9
H-Bond Donor	3
H-Bond Acceptor	8
Rotational Bond Count	8
IUPAC Name	(1R)-1-[[4-hydroxy-3-[4-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]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)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)O)O)O)OC
Isomeric SMILE	CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)O)O)O)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 10 of 68

ID	1955
Name	Corynoline
Pubchem ID	177014
KEGG ID	N/A
Source	Corydalis incisa
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	367.40
Exact mass	367.141973
Molecular formula	C₂₁H₂₁NO₅
XlogP	2.7
Topological Polar Surface Area	60.4
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC12C(CC3=CC4=C(C=C3C1N(CC5=C2C=CC6=C5OCO6)C)OCO4)O
Isomeric SMILE	C[C@]12[C@H](CC3=CC4=C(C=C3[C@H]1N(CC5=C2C=CC6=C5OCO6)C)OCO4)O
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 11 of 68

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. 12 of 68

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. 13 of 68

ID	1965
Name	Cularidine
Pubchem ID	442203
KEGG ID	C09400
Source	Dicentra cucullaria
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. 14 of 68

ID	2086
Name	Emetine
Pubchem ID	10219
KEGG ID	C09421
Source	Uragoga ipecacuanha
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	480.64
Exact mass	480.298808
Molecular formula	C₂₉H₄₀N₂O₄
XlogP	4.7
Topological Polar Surface Area	52.2
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	7
IUPAC Name	(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC
Isomeric SMILE	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 15 of 68

ID	2087
Name	Emetine
Pubchem ID	10219
KEGG ID	C09421
Source	Uragoga acuminata
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	480.64
Exact mass	480.298808
Molecular formula	C₂₉H₄₀N₂O₄
XlogP	4.7
Topological Polar Surface Area	52.2
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	7
IUPAC Name	(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC
Isomeric SMILE	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 16 of 68

ID	2088
Name	Emetine
Pubchem ID	10219
KEGG ID	C09421
Source	Alangium longiflorum
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	480.64
Exact mass	480.298808
Molecular formula	C₂₉H₄₀N₂O₄
XlogP	4.7
Topological Polar Surface Area	52.2
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	7
IUPAC Name	(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC
Isomeric SMILE	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC
Drugpedia	wiki
References	1. Sakurai,Phytochem.,67,(2006),894 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 17 of 68

ID	2089
Name	Emetine
Pubchem ID	10219
KEGG ID	C09421
Source	Cephaelis acuminata
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	480.64
Exact mass	480.298808
Molecular formula	C₂₉H₄₀N₂O₄
XlogP	4.7
Topological Polar Surface Area	52.2
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	7
IUPAC Name	(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC
Isomeric SMILE	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)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. 18 of 68

ID	2090
Name	Emetine
Pubchem ID	10219
KEGG ID	C09421
Source	Cephaelis ipecacuanha
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	480.64
Exact mass	480.298808
Molecular formula	C₂₉H₄₀N₂O₄
XlogP	4.7
Topological Polar Surface Area	52.2
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	7
IUPAC Name	(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC
Isomeric SMILE	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)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. 19 of 68

ID	3084
Name	Rhoeadine
Pubchem ID	197775
KEGG ID	C09619
Source	Meconopsis robusta
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	383.39
Exact mass	383.136887
Molecular formula	C₂₁H₂₁NO₆
XlogP	2.4
Topological Polar Surface Area	58.6
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@@H]4[C@H]1C5=C([C@H](O4)OC)C6=C(C=C5)OCO6)OCO3
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,61,(1996),185 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 20 of 68

ID	3085
Name	Rhoeadine
Pubchem ID	197775
KEGG ID	C09619
Source	Papaver albiflorum
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	383.39
Exact mass	383.136887
Molecular formula	C₂₁H₂₁NO₆
XlogP	2.4
Topological Polar Surface Area	58.6
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@@H]4[C@H]1C5=C([C@H](O4)OC)C6=C(C=C5)OCO6)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. 21 of 68

ID	3086
Name	Rhoeadine
Pubchem ID	197775
KEGG ID	C09619
Source	Papaver argemone
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	383.39
Exact mass	383.136887
Molecular formula	C₂₁H₂₁NO₆
XlogP	2.4
Topological Polar Surface Area	58.6
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@@H]4[C@H]1C5=C([C@H](O4)OC)C6=C(C=C5)OCO6)OCO3
Drugpedia	wiki
References	1. Novak,Zemed.Praze.Fak.Agron.Rad.A.,55,(1993),23 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 22 of 68

ID	3087
Name	Rhoeadine
Pubchem ID	197775
KEGG ID	C09619
Source	Papaver californicum
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	383.39
Exact mass	383.136887
Molecular formula	C₂₁H₂₁NO₆
XlogP	2.4
Topological Polar Surface Area	58.6
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@@H]4[C@H]1C5=C([C@H](O4)OC)C6=C(C=C5)OCO6)OCO3
Drugpedia	wiki
References	1. Novak,Zemed.Praze.Fak.Agron.Rad.A.,55,(1993),23 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 23 of 68

ID	3088
Name	Rhoeadine
Pubchem ID	197775
KEGG ID	C09619
Source	Papaver confine
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	383.39
Exact mass	383.136887
Molecular formula	C₂₁H₂₁NO₆
XlogP	2.4
Topological Polar Surface Area	58.6
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@@H]4[C@H]1C5=C([C@H](O4)OC)C6=C(C=C5)OCO6)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. 24 of 68

ID	3089
Name	Rhoeadine
Pubchem ID	197775
KEGG ID	C09619
Source	Papaver dubium
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	383.39
Exact mass	383.136887
Molecular formula	C₂₁H₂₁NO₆
XlogP	2.4
Topological Polar Surface Area	58.6
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@@H]4[C@H]1C5=C([C@H](O4)OC)C6=C(C=C5)OCO6)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. 25 of 68

ID	3090
Name	Rhoeadine
Pubchem ID	197775
KEGG ID	C09619
Source	Papaver macrostomum
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	383.39
Exact mass	383.136887
Molecular formula	C₂₁H₂₁NO₆
XlogP	2.4
Topological Polar Surface Area	58.6
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@@H]4[C@H]1C5=C([C@H](O4)OC)C6=C(C=C5)OCO6)OCO3
Drugpedia	wiki
References	1. Novak,Zemed.Praze.Fak.Agron.Rad.A.,55,(1993),23 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 26 of 68

ID	3091
Name	Rhoeadine
Pubchem ID	197775
KEGG ID	C09619
Source	Papaver stevenianum
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	383.39
Exact mass	383.136887
Molecular formula	C₂₁H₂₁NO₆
XlogP	2.4
Topological Polar Surface Area	58.6
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@@H]4[C@H]1C5=C([C@H](O4)OC)C6=C(C=C5)OCO6)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. 27 of 68

ID	3092
Name	Rhoeadine
Pubchem ID	197775
KEGG ID	C09619
Source	Papaver triniifolium
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	383.39
Exact mass	383.136887
Molecular formula	C₂₁H₂₁NO₆
XlogP	2.4
Topological Polar Surface Area	58.6
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@@H]4[C@H]1C5=C([C@H](O4)OC)C6=C(C=C5)OCO6)OCO3
Drugpedia	wiki
References	1. Sari,Pharmazie,55,(2000),471 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 28 of 68

ID	3093
Name	Rhoeadine
Pubchem ID	197775
KEGG ID	C09619
Source	Papaver rhoeas
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	383.39
Exact mass	383.136887
Molecular formula	C₂₁H₂₁NO₆
XlogP	2.4
Topological Polar Surface Area	58.6
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@@H]4[C@H]1C5=C([C@H](O4)OC)C6=C(C=C5)OCO6)OCO3
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 29 of 68

ID	3172
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Bocconia frutescens
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. 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. 30 of 68

ID	3173
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Chelidonium majus
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. 31 of 68

ID	3174
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Coptis japonica
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. 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. 32 of 68

ID	3175
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Dicentra peregrina
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. 33 of 68

ID	3176
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Dicentra spectabilis
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. 34 of 68

ID	3177
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Dicranostigma lactucoides
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. 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. 35 of 68

ID	3178
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Eschscholtzia california
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. 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. 36 of 68

ID	3179
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Fumaria officinalis
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. 37 of 68

ID	3180
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Glaucium flavum
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. 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. 38 of 68

ID	3181
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Macleaya cordata
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. 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. 39 of 68

ID	3182
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Macleaya microcarpa
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. 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. 40 of 68

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. 41 of 68

ID	3184
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Sanguinaria canadensis
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. 42 of 68

ID	3185
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Stylophorum lasiocarpum
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. 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. 43 of 68

ID	3309
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Chasmanthera dependens
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 44 of 68

ID	3310
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Parabaena sagittata
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 45 of 68

ID	3311
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania bancroftii
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 46 of 68

ID	3312
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania brachyandra
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 47 of 68

ID	3313
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania dicentrinifera
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 48 of 68

ID	3314
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania dielsiana
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 49 of 68

ID	3315
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania dolichopoda
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 50 of 68

ID	3316
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania glabra
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 51 of 68

ID	3317
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania hainanensis
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 52 of 68

ID	3318
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania intermedia
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Chen,Yao Hsueh T'ung Pao,16,(1985),1 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 53 of 68

ID	3319
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania kuinanensis.
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 54 of 68

ID	3320
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania kwangsiensis
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
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References	1. Source 2. Function 3. All Records

Record No. 55 of 68

ID	3321
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania mashanica
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 56 of 68

ID	3322
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania micrantha
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 57 of 68

ID	3323
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania pierrei
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 58 of 68

ID	3324
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania sasakii
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 59 of 68

ID	3325
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania sinica
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 60 of 68

ID	3326
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania suberosa
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 61 of 68

ID	3327
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania succinifera
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 62 of 68

ID	3328
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania tetrandra
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 63 of 68

ID	3329
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania venosa
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
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References	1. Source 2. Function 3. All Records

Record No. 64 of 68

ID	3330
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania viridiflavens
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 65 of 68

ID	3331
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania yunnanensis
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
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References	1. Source 2. Function 3. All Records

Record No. 66 of 68

ID	3359
Name	Tetrahydropapaveroline
Pubchem ID	18519
KEGG ID	C06350
Source	N/A
Type	Unknown
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	287.31
Exact mass	287.115758
Molecular formula	C₁₆H₁₇NO₄
XlogP	1.9
Topological Polar Surface Area	93
H-Bond Donor	5
H-Bond Acceptor	5
Rotational Bond Count	2
IUPAC Name	1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC(=C(C=C3)O)O
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 67 of 68

ID	3405
Name	Thalifaberidine
Pubchem ID	157828
KEGG ID	N/A
Source	Thalictrum faberi
Type	Natural
Function	Cytotoxic
Drug Like Properties	No
Molecular Weight	668.78
Exact mass	668.309766
Molecular formula	C₃₉H₄₄N₂O₈
XlogP	6
Topological Polar Surface Area	102
H-Bond Donor	2
H-Bond Acceptor	10
Rotational Bond Count	9
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=C(C(=C(C3=C2C1CC4=C(C(=C(C=C43)OC)O)OC5=CC=C(C=C5)CC6C7=CC(=C(C=C7CCN6C)O)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=C(C(=C(C3=C2[C@@H]1CC4=C(C(=C(C=C43)OC)O)OC5=CC=C(C=C5)C[C@H]6C7=CC(=C(C=C7CCN6C)O)OC)OC)OC)OC
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References	1. Source 2. Function 3. All Records

Record No. 68 of 68

ID	3459
Name	Ukrain
Pubchem ID	160028
KEGG ID	N/A
Source	Chelidonium majus
Type	Natural
Function	Cytotoxic
Drug Like Properties	No
Molecular Weight	1252.35
Exact mass	1251.451398
Molecular formula	C₆₆H₇₂N₆O₁₅PS+₃
XlogP	6.2
Topological Polar Surface Area	208
H-Bond Donor	6
H-Bond Acceptor	18
Rotational Bond Count	12
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CC2=C(C=CC3=C2OCO3)C4C1C5=CC6=C(C=C5CC4O)OCO6)CCNP(=S)(NCC[N+]7(CC8=C(C=CC9=C8OCO9)C1C7C2=CC3=C(C=C2CC1O)OCO3)C)NCC[N+]1(CC2=C(C=CC3=C2OCO3)C2C1C1=CC3=C(C=C1CC2O)OCO3)C
Isomeric SMILE	C[N+]1(CC2=C(C=CC3=C2OCO3)[C@@H]4[C@H]1C5=CC6=C(C=C5C[C@@H]4O)OCO6)CCNP(=S)(NCC[N+]7(CC8=C(C=CC9=C8OCO9)[C@@H]1[C@H]7C2=CC3=C(C=C2C[C@@H]1O)OCO3)C)NCC[N+]1(CC2=C(C=CC3=C2OCO3)[C@@H]2[C@H]1C1=CC3=C(C=C1C[C@@H]2O)OCO3)C
Drugpedia	wiki
References	1. Source 2. Function 3. All Records