Record No. 1 of 7

ID1620
NameBulbocapnine
Pubchem ID12441
KEGG IDC09367
SourceCorydalis cava
TypeNatural
FunctionDopamine Antagonist
Drug Like PropertiesYes
Molecular Weight325.36
Exact mass325.131408
Molecular formulaC19H19NO4
XlogP2.9
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC3=C(C4=C2C1CC5=C4C(=C(C=C5)OC)O)OCO3
Isomeric SMILECN1CCC2=CC3=C(C4=C2[C@@H]1CC5=C4C(=C(C=C5)OC)O)OCO3
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 2 of 7

ID1944
NameCorydaline
Pubchem ID101301
KEGG IDC15530
SourceCorydalis cava
TypeNatural
FunctionAcetylcholinesterase inhibitor
Drug Like PropertiesYes
Molecular Weight369.45
Exact mass369.194008
Molecular formulaC22H27NO4
XlogP3.6
Topological Polar Surface Area40.2
H-Bond Donor0
H-Bond Acceptor5
Rotational Bond Count4
IUPAC Name(13S,13aR)-2,3,9,10-tetramethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC1C2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)OC)OC)OC
Isomeric SMILEC[C@@H]1[C@@H]2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)OC)OC)OC
Drugpediawiki
References1. Source  
2. Function  
3. All Records  
Record No. 3 of 7

ID1951
NameCorydine
Pubchem ID10153
KEGG IDN/A
SourceCorydalis cava
TypeNatural
FunctionButyrylcholinesterase inhibitor
Drug Like PropertiesYes
Molecular Weight341.40
Exact mass341.162708
Molecular formulaC20H23NO4
XlogP2.6
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 SMILECN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)OC)O)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)OC)O)OC
Drugpediawiki
References1. Source  
2. Function  
3. All Records  
Record No. 4 of 7

ID2317
NameIsocorydine
Pubchem ID10143
KEGG IDC09549
SourceCorydalis cava
TypeNatural
FunctionCalcium channel blocker
Drug Like PropertiesYes
Molecular Weight341.40
Exact mass341.162708
Molecular formulaC20H23NO4
XlogP2.6
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 SMILECN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 5 of 7

ID2364
NameIsocorydine
Pubchem ID10143
KEGG IDC09549
SourceCorydalis cava
TypeNatural
FunctionSedative
Drug Like PropertiesYes
Molecular Weight341.40
Exact mass341.162708
Molecular formulaC20H23NO4
XlogP2.6
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 SMILECN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 6 of 7

ID2402
NameIsocorypalmine
Pubchem ID440229
KEGG IDC04118
SourceCorydalis cava
TypeNatural
FunctionSmooth muscle relaxant
Drug Like PropertiesYes
Molecular Weight341.40
Exact mass341.162708
Molecular formulaC20H23NO4
XlogP2.9
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC Name(13aS)-3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)OC
Isomeric SMILECOC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)OC
Drugpediawiki
References1. Ribar,Bull.Acad.Serbe Sci.Arts.Cl.Sci.Math.Nat.Sci.Nat.,40,(2003),95
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 7 of 7

ID2425
NameIsoteolin
Pubchem ID133323
KEGG IDC09541
SourceCorydalis cava
TypeNatural
FunctionInsect feeding inhibitor
Drug Like PropertiesYes
Molecular Weight327.37
Exact mass327.147058
Molecular formulaC19H21NO4
XlogP2.2
Topological Polar Surface Area62.2
H-Bond Donor2
H-Bond Acceptor5
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)O)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)O)OC
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records