Record No. 1 of 8

ID1117
NameAllocryptopine
Pubchem ID98570
KEGG IDC02134
SourceCorydalis nobilis
TypeNatural
FunctionOxytocic agent
Drug Like PropertiesYes
Molecular Weight369.41
Exact mass369.157623
Molecular formulaC21H23NO5
XlogP2.9
Topological Polar Surface Area57.2
H-Bond Donor0
H-Bond Acceptor6
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OCO3
Isomeric SMILEN/A
Drugpediawiki
References1. Slavik,Collect.Czech.Chem.Commun.,54,(1989),2009
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 2 of 8

ID1528
NameBicuculline
Pubchem ID10237
KEGG IDC09364
SourceCorydalis nobilis
TypeNatural
FunctionGABA-A antagonist
Drug Like PropertiesYes
Molecular Weight367.35
Exact mass367.105587
Molecular formulaC20H17NO6
XlogP2.6
Topological Polar Surface Area66.5
H-Bond Donor0
H-Bond Acceptor7
Rotational Bond Count1
IUPAC Name(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Isomeric SMILECN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Drugpediawiki
References1. Slavik,Collect.Czech.Chem.Commun.,54,(1989),2009
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 3 of 8

ID1545
NameBicuculline
Pubchem ID10237
KEGG IDC09364
SourceCorydalis nobilis
TypeNatural
FunctionConvulsions
Drug Like PropertiesYes
Molecular Weight367.35
Exact mass367.105587
Molecular formulaC20H17NO6
XlogP2.6
Topological Polar Surface Area66.5
H-Bond Donor0
H-Bond Acceptor7
Rotational Bond Count1
IUPAC Name(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Isomeric SMILECN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Drugpediawiki
References1. Slavik,Collect.Czech.Chem.Commun.,54,(1989),2009
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 4 of 8

ID1946
NameCorydaline
Pubchem ID101301
KEGG IDC15530
SourceCorydalis nobilis
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. Slavik,Collect.Czech.Chem.Commun.,54,(1989),2009
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 5 of 8

ID2427
NameIsoteolin
Pubchem ID133323
KEGG IDC09541
SourceCorydalis nobilis
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. Slavik,Collect.Czech.Chem.Commun.,54,(1989),2009
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 6 of 8

ID2982
NameProtopine
Pubchem ID4970
KEGG IDC05189
SourceCorydalis nobilis
TypeNatural
FunctionAntibacterial
Drug Like PropertiesYes
Molecular Weight353.37
Exact mass353.126323
Molecular formulaC20H19NO5
XlogP2.8
Topological Polar Surface Area57.2
H-Bond Donor0
H-Bond Acceptor6
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C5=C(C=C4)OCO5)OCO3
Isomeric SMILEN/A
Drugpediawiki
References1. Slavik,Collect.Czech.Chem.Commun.,54,(1989),2009
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 7 of 8

ID3235
Name(S)-Scoulerine
Pubchem ID439654
KEGG IDC02106
SourceCorydalis nobilis
TypeNatural
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight327.37
Exact mass327.147058
Molecular formulaC19H21NO4
XlogP2.6
Topological Polar Surface Area62.2
H-Bond Donor2
H-Bond Acceptor5
Rotational Bond Count2
IUPAC Name(13aS)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)O
Isomeric SMILECOC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)O
Drugpediawiki
References1. Slavik,Collect.Czech.Chem.Commun.,54,(1989),2009
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 8 of 8

ID3279
NameStylopine
Pubchem ID440583
KEGG IDC05175
SourceCorydalis nobilis
TypeNatural
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight323.34
Exact mass323.115758
Molecular formulaC19H17NO4
XlogP3
Topological Polar Surface Area40.2
H-Bond Donor0
H-Bond Acceptor5
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC1CN2CC3=C(CC2C4=CC5=C(C=C41)OCO5)C=CC6=C3OCO6
Isomeric SMILEC1CN2CC3=C(C[C@H]2C4=CC5=C(C=C41)OCO5)C=CC6=C3OCO6
Drugpediawiki
References1. Slavik,Collect.Czech.Chem.Commun.,54,(1989),2009
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records