Record No. 1 of 5

ID1118
NameAllocryptopine
Pubchem ID98570
KEGG IDC02134
SourceCorydalis omeiensis
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. Xia,Zhongguo Yaoxue Zazhi,25,(1990),716
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 2 of 5

ID1529
NameBicuculline
Pubchem ID10237
KEGG IDC09364
SourceCorydalis omeiensis
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. Xia,Zhongguo Yaoxue Zazhi,25,(1990),716
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 3 of 5

ID1546
NameBicuculline
Pubchem ID10237
KEGG IDC09364
SourceCorydalis omeiensis
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. Xia,Zhongguo Yaoxue Zazhi,25,(1990),716
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 4 of 5

ID2404
NameIsocorypalmine
Pubchem ID440229
KEGG IDC04118
SourceCorydalis omeiensis
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. Xia,Zhongguo Yaoxue Zazhi,25,(1990),716
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 5 of 5

ID2983
NameProtopine
Pubchem ID4970
KEGG IDC05189
SourceCorydalis omeiensis
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. Xia,Zhongguo Yaoxue Zazhi,25,(1990),716
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records