Record No. 1 of 3

ID1692
NameC-Curarine
Pubchem ID5281386
KEGG IDC09144
SourceStrychnos froesii
TypeNatural
FunctionToxic
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. 2 of 3

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. 3 of 3

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
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter20
2. Source  
3. Function  
4. All Records