Record No. 1 of 84

ID1136
NameAlpha-Erythroidine
Pubchem ID441076
KEGG IDC06531
SourceErythrina americana
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight273.33
Exact mass273.136493
Molecular formulaC16H19NO3
XlogP0.4
Topological Polar Surface Area38.8
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CCN2CCC4C3=CC(=O)OC4)C=C1
Isomeric SMILECO[C@@H]1C[C@@]23C(=CCN2CC[C@H]4C3=CC(=O)OC4)C=C1
Drugpediawiki
References1. Aguilar,Phytochem.,20,(1981),2061
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 2 of 84

ID1137
NameAlpha-Erythroidine
Pubchem ID441076
KEGG IDC06531
SourceErythrina brevifolia
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight273.33
Exact mass273.136493
Molecular formulaC16H19NO3
XlogP0.4
Topological Polar Surface Area38.8
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CCN2CCC4C3=CC(=O)OC4)C=C1
Isomeric SMILECO[C@@H]1C[C@@]23C(=CCN2CC[C@H]4C3=CC(=O)OC4)C=C1
Drugpediawiki
References1. Aguilar,Fitoterapia,64,(1993),383
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 3 of 84

ID1138
NameAlpha-Erythroidine
Pubchem ID441076
KEGG IDC06531
SourceErythrina chiapasana
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight273.33
Exact mass273.136493
Molecular formulaC16H19NO3
XlogP0.4
Topological Polar Surface Area38.8
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CCN2CCC4C3=CC(=O)OC4)C=C1
Isomeric SMILECO[C@@H]1C[C@@]23C(=CCN2CC[C@H]4C3=CC(=O)OC4)C=C1
Drugpediawiki
References1. Hargreaves,Lloydia,37,(1974),569
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 4 of 84

ID1139
NameAlpha-Erythroidine
Pubchem ID441076
KEGG IDC06531
SourceErythrina coralloides
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight273.33
Exact mass273.136493
Molecular formulaC16H19NO3
XlogP0.4
Topological Polar Surface Area38.8
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CCN2CCC4C3=CC(=O)OC4)C=C1
Isomeric SMILECO[C@@H]1C[C@@]23C(=CCN2CC[C@H]4C3=CC(=O)OC4)C=C1
Drugpediawiki
References1. Hargreaves,Lloydia,37,(1974),569
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 5 of 84

ID1140
NameAlpha-Erythroidine
Pubchem ID441076
KEGG IDC06531
SourceErythrina globocalyx
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight273.33
Exact mass273.136493
Molecular formulaC16H19NO3
XlogP0.4
Topological Polar Surface Area38.8
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CCN2CCC4C3=CC(=O)OC4)C=C1
Isomeric SMILECO[C@@H]1C[C@@]23C(=CCN2CC[C@H]4C3=CC(=O)OC4)C=C1
Drugpediawiki
References1. Hargreaves,Lloydia,37,(1974),569
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 6 of 84

ID1141
NameAlpha-Erythroidine
Pubchem ID441076
KEGG IDC06531
SourceErythrina salviiflora
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight273.33
Exact mass273.136493
Molecular formulaC16H19NO3
XlogP0.4
Topological Polar Surface Area38.8
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CCN2CCC4C3=CC(=O)OC4)C=C1
Isomeric SMILECO[C@@H]1C[C@@]23C(=CCN2CC[C@H]4C3=CC(=O)OC4)C=C1
Drugpediawiki
References1. Jackson,Allertonia,3,(1982),39
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 7 of 84

ID1142
NameAlpha-Erythroidine
Pubchem ID441076
KEGG IDC06531
SourceErythrina standleyana
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight273.33
Exact mass273.136493
Molecular formulaC16H19NO3
XlogP0.4
Topological Polar Surface Area38.8
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CCN2CCC4C3=CC(=O)OC4)C=C1
Isomeric SMILECO[C@@H]1C[C@@]23C(=CCN2CC[C@H]4C3=CC(=O)OC4)C=C1
Drugpediawiki
References1. Hargreaves,Lloydia,37,(1974),569
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 8 of 84

ID1143
NameAlpha-Erythroidine
Pubchem ID441076
KEGG IDC06531
SourceErythrina tholloniana
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight273.33
Exact mass273.136493
Molecular formulaC16H19NO3
XlogP0.4
Topological Polar Surface Area38.8
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CCN2CCC4C3=CC(=O)OC4)C=C1
Isomeric SMILECO[C@@H]1C[C@@]23C(=CCN2CC[C@H]4C3=CC(=O)OC4)C=C1
Drugpediawiki
References1. Chawla,Phytochem.,24,(1985),1821
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 9 of 84

ID1254
NameAtracurium
Pubchem ID23641207
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionNeuromuscular blocking agent
Drug Like PropertiesNo
Molecular Weight1086.31
Exact mass1085.504466
Molecular formulaC59H77N2O15S+
XlogPN/A
Topological Polar Surface Area184
H-Bond Donor0
H-Bond Acceptor15
Rotational Bond Count26
IUPAC Namebenzenesulfonate;5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-]
Isomeric SMILEN/A
Drugpediawiki
References1. Source  
2. Function  
3. All Records  
Record No. 10 of 84

ID1255
NameAtracurium
Pubchem ID47319
KEGG IDC07548
SourceN/A
TypeUnknown
FunctionNeuromuscular blocking agent
Drug Like PropertiesNo
Molecular Weight929.14
Exact mass928.508526
Molecular formulaC53H72N2O12+2
XlogP7.9
Topological Polar Surface Area126
H-Bond Donor0
H-Bond Acceptor12
Rotational Bond Count26
IUPAC Name5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C
Isomeric SMILEN/A
Drugpediawiki
References1. Source  
2. Function  
3. All Records  
Record No. 11 of 84

ID1497
NameBeta-erythroidine
Pubchem ID10074
KEGG IDC06532
SourceErythrina americana
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight273.33
Exact mass273.136493
Molecular formulaC16H19NO3
XlogP-0.2
Topological Polar Surface Area38.8
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C4=C(CCN2CC=C3C=C1)COC(=O)C4
Isomeric SMILECO[C@@H]1C[C@]23C4=C(CCN2CC=C3C=C1)COC(=O)C4
Drugpediawiki
References1. Aguilar,Phytochem.,20,(1981),2061
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 12 of 84

ID1498
NameBeta-erythroidine
Pubchem ID10074
KEGG IDC06532
SourceErythrina arborescens
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight273.33
Exact mass273.136493
Molecular formulaC16H19NO3
XlogP-0.2
Topological Polar Surface Area38.8
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C4=C(CCN2CC=C3C=C1)COC(=O)C4
Isomeric SMILECO[C@@H]1C[C@]23C4=C(CCN2CC=C3C=C1)COC(=O)C4
Drugpediawiki
References1. Ghosal,Phytochem.,11,(1972),2101
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 13 of 84

ID1499
NameBeta-erythroidine
Pubchem ID10074
KEGG IDC06532
SourceErythrina chiapasana
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight273.33
Exact mass273.136493
Molecular formulaC16H19NO3
XlogP-0.2
Topological Polar Surface Area38.8
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C4=C(CCN2CC=C3C=C1)COC(=O)C4
Isomeric SMILECO[C@@H]1C[C@]23C4=C(CCN2CC=C3C=C1)COC(=O)C4
Drugpediawiki
References1. Hargreaves,Lloydia,37,(1974),569
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 14 of 84

ID1500
NameBeta-erythroidine
Pubchem ID10074
KEGG IDC06532
SourceErythrina coralloides
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight273.33
Exact mass273.136493
Molecular formulaC16H19NO3
XlogP-0.2
Topological Polar Surface Area38.8
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C4=C(CCN2CC=C3C=C1)COC(=O)C4
Isomeric SMILECO[C@@H]1C[C@]23C4=C(CCN2CC=C3C=C1)COC(=O)C4
Drugpediawiki
References1. Hargreaves,Lloydia,37,(1974),569
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 15 of 84

ID1501
NameBeta-erythroidine
Pubchem ID10074
KEGG IDC06532
SourceErythrina globocalyx
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight273.33
Exact mass273.136493
Molecular formulaC16H19NO3
XlogP-0.2
Topological Polar Surface Area38.8
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C4=C(CCN2CC=C3C=C1)COC(=O)C4
Isomeric SMILECO[C@@H]1C[C@]23C4=C(CCN2CC=C3C=C1)COC(=O)C4
Drugpediawiki
References1. Hargreaves,Lloydia,37,(1974),569
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 16 of 84

ID1502
NameBeta-erythroidine
Pubchem ID10074
KEGG IDC06532
SourceErythrina salviiflora
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight273.33
Exact mass273.136493
Molecular formulaC16H19NO3
XlogP-0.2
Topological Polar Surface Area38.8
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C4=C(CCN2CC=C3C=C1)COC(=O)C4
Isomeric SMILECO[C@@H]1C[C@]23C4=C(CCN2CC=C3C=C1)COC(=O)C4
Drugpediawiki
References1. Jackson,Allertonia,3,(1982),39
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 17 of 84

ID1503
NameBeta-erythroidine
Pubchem ID10074
KEGG IDC06532
SourceErythrina standleyana
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight273.33
Exact mass273.136493
Molecular formulaC16H19NO3
XlogP-0.2
Topological Polar Surface Area38.8
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C4=C(CCN2CC=C3C=C1)COC(=O)C4
Isomeric SMILECO[C@@H]1C[C@]23C4=C(CCN2CC=C3C=C1)COC(=O)C4
Drugpediawiki
References1. Hargreaves,Lloydia,37,(1974),569
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 18 of 84

ID1504
NameBeta-erythroidine
Pubchem ID10074
KEGG IDC06532
SourceErythrina tholloniana
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight273.33
Exact mass273.136493
Molecular formulaC16H19NO3
XlogP-0.2
Topological Polar Surface Area38.8
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C4=C(CCN2CC=C3C=C1)COC(=O)C4
Isomeric SMILECO[C@@H]1C[C@]23C4=C(CCN2CC=C3C=C1)COC(=O)C4
Drugpediawiki
References1. Chawla,Phytochem.,24,(1985),1821
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 19 of 84

ID1505
NameBeta-erythroidine
Pubchem ID10074
KEGG IDC06532
SourceErythrina variegata
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight273.33
Exact mass273.136493
Molecular formulaC16H19NO3
XlogP-0.2
Topological Polar Surface Area38.8
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C4=C(CCN2CC=C3C=C1)COC(=O)C4
Isomeric SMILECO[C@@H]1C[C@]23C4=C(CCN2CC=C3C=C1)COC(=O)C4
Drugpediawiki
References1. Ghosal,Aust. J. Chem.,24,(1971),2733
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 20 of 84

ID1677
NameCalebassine
Pubchem ID6433496
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionNeuromuscular blocking agent
Drug Like PropertiesNo
Molecular Weight616.83
Exact mass616.377727
Molecular formulaC40H48N4O2+2
XlogP3.7
Topological Polar Surface Area46.9
H-Bond Donor2
H-Bond Acceptor4
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC=C1C[N+]2(CCC34C2CC1C5C3(N(C6C5N7C8=CC=CC=C8C91C7(C6C2CC9[N+](CC1)(CC2=CC)C)O)C1=CC=CC=C41)O)C
Isomeric SMILEC/C=C/1C2C3C4(N(C5=CC=CC=C5C46C(C2)[N+](C1)(CC6)C)C7C3N8C9(C7C1/C(=CC)/C[N+]2(C(C9(C3=CC=CC=C83)CC2)C1)C)O)O
Drugpediawiki
References1. Source  
2. Function  
3. All Records  
Record No. 21 of 84

ID1696
NameC-Curarine
Pubchem ID5281386
KEGG IDC09144
SourceStrychnos divaricans
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesNo
Molecular Weight596.80
Exact mass596.351512
Molecular formulaC40H44N4O+2
XlogP3.7
Topological Polar Surface Area15.7
H-Bond Donor0
H-Bond Acceptor3
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC=C1C[N+]2(CCC34C2CC1C5=CN6C7=CC=CC=C7C89C61C(=CN(C53O1)C1=CC=CC=C41)C1CC8[N+](CC9)(CC1=CC)C)C
Isomeric SMILEC/C=C/1[C@H]2C3=CN4[C@@]56O[C@]37N(C8=CC=CC=C8[C@]79[C@H](C2)[N@+](C1)(CC9)C)C=C5[C@@H]1/C(=CC)/C[N@+]2([C@H]([C@]6(C3=CC=CC=C43)CC2)C1)C
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter20
2. Source  
3. Function  
4. All Records  
Record No. 22 of 84

ID1697
NameC-Curarine
Pubchem ID5281386
KEGG IDC09144
SourceStrychnos froesii
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesNo
Molecular Weight596.80
Exact mass596.351512
Molecular formulaC40H44N4O+2
XlogP3.7
Topological Polar Surface Area15.7
H-Bond Donor0
H-Bond Acceptor3
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC=C1C[N+]2(CCC34C2CC1C5=CN6C7=CC=CC=C7C89C61C(=CN(C53O1)C1=CC=CC=C41)C1CC8[N+](CC9)(CC1=CC)C)C
Isomeric SMILEC/C=C/1[C@H]2C3=CN4[C@@]56O[C@]37N(C8=CC=CC=C8[C@]79[C@H](C2)[N@+](C1)(CC9)C)C=C5[C@@H]1/C(=CC)/C[N@+]2([C@H]([C@]6(C3=CC=CC=C43)CC2)C1)C
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter20
2. Source  
3. Function  
4. All Records  
Record No. 23 of 84

ID1698
NameC-Curarine
Pubchem ID5281386
KEGG IDC09144
SourceStrychnos mittschelichii
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesNo
Molecular Weight596.80
Exact mass596.351512
Molecular formulaC40H44N4O+2
XlogP3.7
Topological Polar Surface Area15.7
H-Bond Donor0
H-Bond Acceptor3
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC=C1C[N+]2(CCC34C2CC1C5=CN6C7=CC=CC=C7C89C61C(=CN(C53O1)C1=CC=CC=C41)C1CC8[N+](CC9)(CC1=CC)C)C
Isomeric SMILEC/C=C/1[C@H]2C3=CN4[C@@]56O[C@]37N(C8=CC=CC=C8[C@]79[C@H](C2)[N@+](C1)(CC9)C)C=C5[C@@H]1/C(=CC)/C[N@+]2([C@H]([C@]6(C3=CC=CC=C43)CC2)C1)C
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter20
2. Source  
3. Function  
4. All Records  
Record No. 24 of 84

ID1699
NameC-Curarine
Pubchem ID5281386
KEGG IDC09144
SourceStrychnos solimoensana
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesNo
Molecular Weight596.80
Exact mass596.351512
Molecular formulaC40H44N4O+2
XlogP3.7
Topological Polar Surface Area15.7
H-Bond Donor0
H-Bond Acceptor3
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC=C1C[N+]2(CCC34C2CC1C5=CN6C7=CC=CC=C7C89C61C(=CN(C53O1)C1=CC=CC=C41)C1CC8[N+](CC9)(CC1=CC)C)C
Isomeric SMILEC/C=C/1[C@H]2C3=CN4[C@@]56O[C@]37N(C8=CC=CC=C8[C@]79[C@H](C2)[N@+](C1)(CC9)C)C=C5[C@@H]1/C(=CC)/C[N@+]2([C@H]([C@]6(C3=CC=CC=C43)CC2)C1)C
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter20
2. Source  
3. Function  
4. All Records  
Record No. 25 of 84

ID1700
NameC-Curarine
Pubchem ID5281386
KEGG IDC09144
SourceStrychnos usambarensis
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesNo
Molecular Weight596.80
Exact mass596.351512
Molecular formulaC40H44N4O+2
XlogP3.7
Topological Polar Surface Area15.7
H-Bond Donor0
H-Bond Acceptor3
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC=C1C[N+]2(CCC34C2CC1C5=CN6C7=CC=CC=C7C89C61C(=CN(C53O1)C1=CC=CC=C41)C1CC8[N+](CC9)(CC1=CC)C)C
Isomeric SMILEC/C=C/1[C@H]2C3=CN4[C@@]56O[C@]37N(C8=CC=CC=C8[C@]79[C@H](C2)[N@+](C1)(CC9)C)C=C5[C@@H]1/C(=CC)/C[N@+]2([C@H]([C@]6(C3=CC=CC=C43)CC2)C1)C
Drugpediawiki
References1. Source  
2. Function  
3. All Records  
Record No. 26 of 84

ID2038
NameDihydrotoxiferin
Pubchem ID6444491
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionNeuromuscular blocking agent
Drug Like PropertiesNo
Molecular Weight582.82
Exact mass582.372247
Molecular formulaC40H46N4+2
XlogP4.3
Topological Polar Surface Area6.5
H-Bond Donor0
H-Bond Acceptor2
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC=C1C[N+]2(CCC34C2CC1C5=CN6C7C(=CN(C53)C8=CC=CC=C48)C9CC1C7(CC[N+]1(CC9=CC)C)C1=CC=CC=C16)C
Isomeric SMILEC/C=C1/C2/C/3=C/N4C5=CC=CC=C5C67C4/C(=CN8C3C9(C3=CC=CC=C83)C(C2)[N+](C1)(CC9)C)/C1/C(=C/C)/C[N+](C6C1)(CC7)C
Drugpediawiki
References1. Source  
2. Function  
3. All Records  
Record No. 27 of 84

ID2097
NameErysonine
Pubchem ID442218
KEGG IDC09422
SourceErythrina caribbean
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight285.34
Exact mass285.136493
Molecular formulaC17H19NO3
XlogP1.3
Topological Polar Surface Area52.9
H-Bond Donor2
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=C2CCN3CC=C4C3(C2=C1)CC(C=C4)O)O
Isomeric SMILECOC1=C(C=C2CCN3CC=C4[C@]3(C2=C1)C[C@H](C=C4)O)O
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 28 of 84

ID2098
NameErysonine
Pubchem ID442218
KEGG IDC09422
SourceErythrina melanacantha
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight285.34
Exact mass285.136493
Molecular formulaC17H19NO3
XlogP1.3
Topological Polar Surface Area52.9
H-Bond Donor2
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=C2CCN3CC=C4C3(C2=C1)CC(C=C4)O)O
Isomeric SMILECOC1=C(C=C2CCN3CC=C4[C@]3(C2=C1)C[C@H](C=C4)O)O
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 29 of 84

ID2099
NameErysotrine
Pubchem ID442219
KEGG IDC09423
SourceErythrina abyssinica
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight313.39
Exact mass313.167794
Molecular formulaC19H23NO3
XlogP2.1
Topological Polar Surface Area30.9
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Isomeric SMILECO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Drugpediawiki
References1. Games,Lloydia,37,(1974),581
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 30 of 84

ID2100
NameErysotrine
Pubchem ID442219
KEGG IDC09423
SourceErythrina atitlanensis
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight313.39
Exact mass313.167794
Molecular formulaC19H23NO3
XlogP2.1
Topological Polar Surface Area30.9
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Isomeric SMILECO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Drugpediawiki
References1. Hargreaves,Lloydia,37,(1974),569
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 31 of 84

ID2101
NameErysotrine
Pubchem ID442219
KEGG IDC09423
SourceErythrina crista-galli
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight313.39
Exact mass313.167794
Molecular formulaC19H23NO3
XlogP2.1
Topological Polar Surface Area30.9
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Isomeric SMILECO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Drugpediawiki
References1. Ito,Chem. Pharm. Bull.,24,(1976),52
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 32 of 84

ID2102
NameErysotrine
Pubchem ID442219
KEGG IDC09423
SourceErythrina flabelliformis
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight313.39
Exact mass313.167794
Molecular formulaC19H23NO3
XlogP2.1
Topological Polar Surface Area30.9
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Isomeric SMILECO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Drugpediawiki
References1. Hargreaves,Lloydia,37,(1974),569
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 33 of 84

ID2103
NameErysotrine
Pubchem ID442219
KEGG IDC09423
SourceErythrina goldmanii
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight313.39
Exact mass313.167794
Molecular formulaC19H23NO3
XlogP2.1
Topological Polar Surface Area30.9
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Isomeric SMILECO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Drugpediawiki
References1. Hargreaves,Lloydia,37,(1974),569
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 34 of 84

ID2104
NameErysotrine
Pubchem ID442219
KEGG IDC09423
SourceErythrina guatemalensis
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight313.39
Exact mass313.167794
Molecular formulaC19H23NO3
XlogP2.1
Topological Polar Surface Area30.9
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Isomeric SMILECO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Drugpediawiki
References1. Hargreaves,Lloydia,37,(1974),569
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 35 of 84

ID2105
NameErysotrine
Pubchem ID442219
KEGG IDC09423
SourceErythrina herbacea
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight313.39
Exact mass313.167794
Molecular formulaC19H23NO3
XlogP2.1
Topological Polar Surface Area30.9
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Isomeric SMILECO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Drugpediawiki
References1. Ahmad,J. Chem. Soc. Perkin Trans. I,(1979),79
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 36 of 84

ID2106
NameErysotrine
Pubchem ID442219
KEGG IDC09423
SourceErythrina lysistemon
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight313.39
Exact mass313.167794
Molecular formulaC19H23NO3
XlogP2.1
Topological Polar Surface Area30.9
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Isomeric SMILECO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Drugpediawiki
References1. Amer,J. Nat. Prod.,54,(1991),161
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 37 of 84

ID2107
NameErysotrine
Pubchem ID442219
KEGG IDC09423
SourceErythrina macrophylla
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight313.39
Exact mass313.167794
Molecular formulaC19H23NO3
XlogP2.1
Topological Polar Surface Area30.9
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Isomeric SMILECO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Drugpediawiki
References1. Hargreaves,Lloydia,37,(1974),569
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 38 of 84

ID2108
NameErysotrine
Pubchem ID442219
KEGG IDC09423
SourceErythrina oliviae
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight313.39
Exact mass313.167794
Molecular formulaC19H23NO3
XlogP2.1
Topological Polar Surface Area30.9
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Isomeric SMILECO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Drugpediawiki
References1. Hargreaves,Lloydia,37,(1974),569
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 39 of 84

ID2109
NameErysotrine
Pubchem ID442219
KEGG IDC09423
SourceErythrina poeppigiana
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight313.39
Exact mass313.167794
Molecular formulaC19H23NO3
XlogP2.1
Topological Polar Surface Area30.9
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Isomeric SMILECO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Drugpediawiki
References1. Jackson,Allertonia,3,(1982),47
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 40 of 84

ID2110
NameErysotrine
Pubchem ID442219
KEGG IDC09423
SourceErythrina senegalensis
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight313.39
Exact mass313.167794
Molecular formulaC19H23NO3
XlogP2.1
Topological Polar Surface Area30.9
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Isomeric SMILECO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Drugpediawiki
References1. Games,Lloydia,37,(1974),581
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 41 of 84

ID2111
NameErysotrine
Pubchem ID442219
KEGG IDC09423
SourceErythrina steyermarkii
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight313.39
Exact mass313.167794
Molecular formulaC19H23NO3
XlogP2.1
Topological Polar Surface Area30.9
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Isomeric SMILECO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Drugpediawiki
References1. Hargreaves,Lloydia,37,(1974),569
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 42 of 84

ID2112
NameErysotrine
Pubchem ID442219
KEGG IDC09423
SourceErythrina suberosa
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight313.39
Exact mass313.167794
Molecular formulaC19H23NO3
XlogP2.1
Topological Polar Surface Area30.9
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Isomeric SMILECO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 43 of 84

ID2113
NameErysotrine
Pubchem ID442219
KEGG IDC09423
SourceErythrina tajumulcensis
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight313.39
Exact mass313.167794
Molecular formulaC19H23NO3
XlogP2.1
Topological Polar Surface Area30.9
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Isomeric SMILECO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Drugpediawiki
References1. Hargreaves,Lloydia,37,(1974),569
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 44 of 84

ID2114
NameErysotrine
Pubchem ID442219
KEGG IDC09423
SourceErythrina verna
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight313.39
Exact mass313.167794
Molecular formulaC19H23NO3
XlogP2.1
Topological Polar Surface Area30.9
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Isomeric SMILECO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Drugpediawiki
References1. Sarragiotto,Can. J. Chem.,59,(1981),2771
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 45 of 84

ID2115
NameErysotrine
Pubchem ID442219
KEGG IDC09423
SourceErythrina zeyheri
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight313.39
Exact mass313.167794
Molecular formulaC19H23NO3
XlogP2.1
Topological Polar Surface Area30.9
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Isomeric SMILECO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Drugpediawiki
References1. Games,Lloydia,37,(1974),581
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 46 of 84

ID2116
NameErythratidine
Pubchem ID442220
KEGG IDC09424
SourceErythrina abyssinica
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight331.41
Exact mass331.178358
Molecular formulaC19H25NO4
XlogP1.2
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Isomeric SMILECO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Drugpediawiki
References1. Games,Lloydia,37,(1974),581
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 47 of 84

ID2117
NameErythratidine
Pubchem ID442220
KEGG IDC09424
SourceErythrina barqueroana
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight331.41
Exact mass331.178358
Molecular formulaC19H25NO4
XlogP1.2
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Isomeric SMILECO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Drugpediawiki
References1. Hargreaves,Lloydia,37,(1974),569
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 48 of 84

ID2118
NameErythratidine
Pubchem ID442220
KEGG IDC09424
SourceErythrina brucei
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight331.41
Exact mass331.178358
Molecular formulaC19H25NO4
XlogP1.2
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Isomeric SMILECO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Drugpediawiki
References1. Chawla,Phytochem.,24,(1985),1821
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 49 of 84

ID2119
NameErythratidine
Pubchem ID442220
KEGG IDC09424
SourceErythrina burana
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight331.41
Exact mass331.178358
Molecular formulaC19H25NO4
XlogP1.2
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Isomeric SMILECO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Drugpediawiki
References1. Games,Lloydia,37,(1974),581
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 50 of 84

ID2120
NameErythratidine
Pubchem ID442220
KEGG IDC09424
SourceErythrina caribaea
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight331.41
Exact mass331.178358
Molecular formulaC19H25NO4
XlogP1.2
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Isomeric SMILECO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Drugpediawiki
References1. Chawla,Phytochem.,24,(1985),1821
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 51 of 84

ID2121
NameErythratidine
Pubchem ID442220
KEGG IDC09424
SourceErythrina caribbean
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight331.41
Exact mass331.178358
Molecular formulaC19H25NO4
XlogP1.2
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Isomeric SMILECO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 52 of 84

ID2122
NameErythratidine
Pubchem ID442220
KEGG IDC09424
SourceErythrina chiapasana
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight331.41
Exact mass331.178358
Molecular formulaC19H25NO4
XlogP1.2
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Isomeric SMILECO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Drugpediawiki
References1. Barakat,Lloydia,40,(1977),471
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 53 of 84

ID2123
NameErythratidine
Pubchem ID442220
KEGG IDC09424
SourceErythrina cochleata
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight331.41
Exact mass331.178358
Molecular formulaC19H25NO4
XlogP1.2
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Isomeric SMILECO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Drugpediawiki
References1. Chawla,Phytochem.,24,(1985),1821
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 54 of 84

ID2124
NameErythratidine
Pubchem ID442220
KEGG IDC09424
SourceErythrina coralloides
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight331.41
Exact mass331.178358
Molecular formulaC19H25NO4
XlogP1.2
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Isomeric SMILECO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Drugpediawiki
References1. Hargreaves,Lloydia,37,(1974),569
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 55 of 84

ID2125
NameErythratidine
Pubchem ID442220
KEGG IDC09424
SourceErythrina decora
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight331.41
Exact mass331.178358
Molecular formulaC19H25NO4
XlogP1.2
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Isomeric SMILECO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Drugpediawiki
References1. Barakat,Lloydia,40,(1977),471
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 56 of 84

ID2126
NameErythratidine
Pubchem ID442220
KEGG IDC09424
SourceErythrina eggersii
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight331.41
Exact mass331.178358
Molecular formulaC19H25NO4
XlogP1.2
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Isomeric SMILECO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Drugpediawiki
References1. Barakat,Lloydia,40,(1977),471
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 57 of 84

ID2127
NameErythratidine
Pubchem ID442220
KEGG IDC09424
SourceErythrina excelsa
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight331.41
Exact mass331.178358
Molecular formulaC19H25NO4
XlogP1.2
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Isomeric SMILECO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Drugpediawiki
References1. Games,Lloydia,37,(1974),581
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 58 of 84

ID2128
NameErythratidine
Pubchem ID442220
KEGG IDC09424
SourceErythrina falcata
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight331.41
Exact mass331.178358
Molecular formulaC19H25NO4
XlogP1.2
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Isomeric SMILECO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Drugpediawiki
References1. Deulofeu,Chem. Ber.,85,(1952),620
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 59 of 84

ID2129
NameErythratidine
Pubchem ID442220
KEGG IDC09424
SourceErythrina goldmanii
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight331.41
Exact mass331.178358
Molecular formulaC19H25NO4
XlogP1.2
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Isomeric SMILECO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Drugpediawiki
References1. Hargreaves,Lloydia,37,(1974),569
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 60 of 84

ID2130
NameErythratidine
Pubchem ID442220
KEGG IDC09424
SourceErythrina guatemalensis
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight331.41
Exact mass331.178358
Molecular formulaC19H25NO4
XlogP1.2
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Isomeric SMILECO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Drugpediawiki
References1. Hargreaves,Lloydia,37,(1974),569
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 61 of 84

ID2131
NameErythratidine
Pubchem ID442220
KEGG IDC09424
SourceErythrina latissima
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight331.41
Exact mass331.178358
Molecular formulaC19H25NO4
XlogP1.2
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Isomeric SMILECO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Drugpediawiki
References1. Games,Lloydia,37,(1974),581
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 62 of 84

ID2132
NameErythratidine
Pubchem ID442220
KEGG IDC09424
SourceErythrina livingstoniana
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight331.41
Exact mass331.178358
Molecular formulaC19H25NO4
XlogP1.2
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Isomeric SMILECO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Drugpediawiki
References1. Games,Lloydia,37,(1974),581
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 63 of 84

ID2133
NameErythratidine
Pubchem ID442220
KEGG IDC09424
SourceErythrina macrophylla
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight331.41
Exact mass331.178358
Molecular formulaC19H25NO4
XlogP1.2
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Isomeric SMILECO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Drugpediawiki
References1. Jackson,Allertonia,3,(1982),47
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 64 of 84

ID2134
NameErythratidine
Pubchem ID442220
KEGG IDC09424
SourceErythrina melanacantha
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight331.41
Exact mass331.178358
Molecular formulaC19H25NO4
XlogP1.2
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Isomeric SMILECO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 65 of 84

ID2135
NameErythratidine
Pubchem ID442220
KEGG IDC09424
SourceErythrina oliviae
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight331.41
Exact mass331.178358
Molecular formulaC19H25NO4
XlogP1.2
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Isomeric SMILECO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Drugpediawiki
References1. Hargreaves,Lloydia,37,(1974),569
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 66 of 84

ID2136
NameErythratidine
Pubchem ID442220
KEGG IDC09424
SourceErythrina orophila
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight331.41
Exact mass331.178358
Molecular formulaC19H25NO4
XlogP1.2
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Isomeric SMILECO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Drugpediawiki
References1. Barakat,Lloydia,40,(1977),471
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 67 of 84

ID2137
NameErythratidine
Pubchem ID442220
KEGG IDC09424
SourceErythrina perrieri
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight331.41
Exact mass331.178358
Molecular formulaC19H25NO4
XlogP1.2
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Isomeric SMILECO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Drugpediawiki
References1. Games,Lloydia,37,(1974),581
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 68 of 84

ID2138
NameErythratidine
Pubchem ID442220
KEGG IDC09424
SourceErythrina rubrinervia
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight331.41
Exact mass331.178358
Molecular formulaC19H25NO4
XlogP1.2
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Isomeric SMILECO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Drugpediawiki
References1. Jackson,Allertonia,3,(1982),47
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 69 of 84

ID2139
NameErythratidine
Pubchem ID442220
KEGG IDC09424
SourceErythrina senegalensis
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight331.41
Exact mass331.178358
Molecular formulaC19H25NO4
XlogP1.2
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Isomeric SMILECO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Drugpediawiki
References1. Games,Lloydia,37,(1974),581
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 70 of 84

ID2140
NameErythratidine
Pubchem ID442220
KEGG IDC09424
SourceErythrina sigmoidea
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight331.41
Exact mass331.178358
Molecular formulaC19H25NO4
XlogP1.2
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Isomeric SMILECO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Drugpediawiki
References1. Games,Lloydia,37,(1974),581
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 71 of 84

ID2141
NameErythratidine
Pubchem ID442220
KEGG IDC09424
SourceErythrina steyermarkii
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight331.41
Exact mass331.178358
Molecular formulaC19H25NO4
XlogP1.2
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Isomeric SMILECO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Drugpediawiki
References1. Hargreaves,Lloydia,37,(1974),569
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 72 of 84

ID2142
NameErythratidine
Pubchem ID442220
KEGG IDC09424
SourceErythrina suberosa
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight331.41
Exact mass331.178358
Molecular formulaC19H25NO4
XlogP1.2
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Isomeric SMILECO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Drugpediawiki
References1. Chawla,J.Pharm.Sci.,51,(1989),189
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 73 of 84

ID2143
NameErythratidine
Pubchem ID442220
KEGG IDC09424
SourceErythrina tahitensis
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight331.41
Exact mass331.178358
Molecular formulaC19H25NO4
XlogP1.2
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Isomeric SMILECO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Drugpediawiki
References1. Games,Lloydia,37,(1974),581
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 74 of 84

ID2306
NameIsococculidine
Pubchem ID442300
KEGG IDC09546
SourceCocculus laurifolius
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight285.38
Exact mass285.172879
Molecular formulaC18H23NO2
XlogP2.5
Topological Polar Surface Area21.7
H-Bond Donor0
H-Bond Acceptor3
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(CCN2CCC4=C3C=C(C=C4)OC)C=C1
Isomeric SMILECO[C@@H]1C[C@@]23[C@H](CCN2CCC4=C3C=C(C=C4)OC)C=C1
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 75 of 84

ID2493
NameLaudanosine
Pubchem ID15548
KEGG IDN/A
SourcePolyalthia cerasoides
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight357.44
Exact mass357.194008
Molecular formulaC21H27NO4
XlogP3.7
Topological Polar Surface Area40.2
H-Bond Donor0
H-Bond Acceptor5
Rotational Bond Count6
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC
Isomeric SMILEN/A
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Record No. 76 of 84

ID2686
NameMetocurine
Pubchem ID24244
KEGG IDD00761
SourceCyclea hainanensis
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesNo
Molecular Weight906.63
Exact mass906.160173
Molecular formulaC40H48I2N2O6
XlogPN/A
Topological Polar Surface Area55.4
H-Bond Donor0
H-Bond Acceptor8
Rotational Bond Count4
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[N+]1(CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC)C.[I-].[I-]
Isomeric SMILEC[N+]1(CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC)C.[I-].[I-]
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Record No. 77 of 84

ID2693
NameMivacurium
Pubchem ID6308454
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionNeuromuscular blocking agent
Drug Like PropertiesNo
Molecular Weight1029.26
Exact mass1028.560955
Molecular formulaC58H80N2O14+2
XlogP8.7
Topological Polar Surface Area145
H-Bond Donor0
H-Bond Acceptor14
Rotational Bond Count30
IUPAC Namebis[3-[6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] (E)-oct-4-enedioate
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)CCC=CCCC(=O)OCCC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C
Isomeric SMILEC[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C
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Record No. 78 of 84

ID2798
NameNorcoralydine
Pubchem ID10653
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight355.43
Exact mass355.178358
Molecular formulaC21H25NO4
XlogP3.2
Topological Polar Surface Area40.2
H-Bond Donor0
H-Bond Acceptor5
Rotational Bond Count4
IUPAC Name2,3,10,11-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=C2C3CC4=CC(=C(C=C4CN3CCC2=C1)OC)OC)OC
Isomeric SMILEN/A
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Record No. 79 of 84

ID3435
NameToxiferine
Pubchem ID5281411
KEGG IDC09246
SourceStrychnos froesii
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesNo
Molecular Weight614.82
Exact mass614.362077
Molecular formulaC40H46N4O2+2
XlogP1.8
Topological Polar Surface Area46.9
H-Bond Donor2
H-Bond Acceptor4
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[N+]12CCC34C1CC(C(=CCO)C2)C5=CN6C7C(=CN(C53)C8=CC=CC=C48)C9CC1C7(CC[N+]1(CC9=CCO)C)C1=CC=CC=C16
Isomeric SMILEC[N@@+]12[C@@H]3[C@]4(C5=CC=CC=C5N/6[C@H]4/C(=CN7[C@H]8/C(=C6)/[C@@H]9/C(=CCO)/C[N@+]4([C@H]([C@]8(C5=CC=CC=C75)CC4)C9)C)/[C@@H](C3)/C(=CCO)/C1)CC2
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References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter20
2. Source  
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Record No. 80 of 84

ID3436
NameToxiferine
Pubchem ID5281411
KEGG IDC09246
SourceStrychnos toxifera
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesNo
Molecular Weight614.82
Exact mass614.362077
Molecular formulaC40H46N4O2+2
XlogP1.8
Topological Polar Surface Area46.9
H-Bond Donor2
H-Bond Acceptor4
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[N+]12CCC34C1CC(C(=CCO)C2)C5=CN6C7C(=CN(C53)C8=CC=CC=C48)C9CC1C7(CC[N+]1(CC9=CCO)C)C1=CC=CC=C16
Isomeric SMILEC[N@@+]12[C@@H]3[C@]4(C5=CC=CC=C5N/6[C@H]4/C(=CN7[C@H]8/C(=C6)/[C@@H]9/C(=CCO)/C[N@+]4([C@H]([C@]8(C5=CC=CC=C75)CC4)C9)C)/[C@@H](C3)/C(=CCO)/C1)CC2
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References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter20
2. Source  
3. Function  
4. All Records  
Record No. 81 of 84

ID3437
NameToxiferine I
Pubchem ID5321990
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionNeuromuscular blocking agent
Drug Like PropertiesNo
Molecular Weight630.86
Exact mass630.393377
Molecular formulaC41H50N4O2+2
XlogPN/A
Topological Polar Surface Area46.9
H-Bond Donor2
H-Bond Acceptor4
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILE[HH].CC12CC3C(=CCO)C[N+]1(CCC24C5C3=CN6C7C(=CN5C8=CC=CC=C48)C9CC1C7(CC[N+]1(CC9=CCO)C)C1=CC=CC=C16)C
Isomeric SMILE[HH].C[C@@]12C[C@H]3/C(=CCO)/C[N@@+]1(CC[C@]24[C@@H]5/C3=CN6[C@H]7/C(=CN5C8=CC=CC=C48)/[C@H]9C[C@H]1[C@@]7(CC[N@+]1(C/C9=C/CO)C)C1=CC=CC=C16)C
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Record No. 82 of 84

ID3452
NameTubocurarine
Pubchem ID5351750
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionNeuromuscular blocking agent
Drug Like PropertiesNo
Molecular Weight660.22
Exact mass659.28879
Molecular formulaC38H44ClN2O6+
XlogPN/A
Topological Polar Surface Area77.4
H-Bond Donor2
H-Bond Acceptor7
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[N+]1(CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC)C.[Cl-]
Isomeric SMILEC[N+]1(CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC)C.[Cl-]
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Record No. 83 of 84

ID3453
NameTubocurarine
Pubchem ID6000
KEGG IDC07547
SourceChondrodendron tomentosum
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesNo
Molecular Weight609.73
Exact mass609.296462
Molecular formulaC37H41N2O6+
XlogP6
Topological Polar Surface Area80.6
H-Bond Donor2
H-Bond Acceptor7
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC
Isomeric SMILECN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC
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References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
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Record No. 84 of 84

ID3454
NameTubocurarine
Pubchem ID64645
KEGG IDN/A
SourceMenispermaceae
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesNo
Molecular Weight681.65
Exact mass680.241993
Molecular formulaC37H42Cl2N2O6
XlogPN/A
Topological Polar Surface Area81.8
H-Bond Donor3
H-Bond Acceptor8
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[NH+]1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC.[Cl-].[Cl-]
Isomeric SMILEC[NH+]1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC.[Cl-].[Cl-]
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