Record No. 1 of 6

ID1126
NameAllocryptopine
Pubchem ID98570
KEGG IDC02134
SourceHypecoum procumbens
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. Saad,J.Pharm.Sci.,14,(1995),177
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 2 of 6

ID1638
NameBulbocapnine
Pubchem ID12441
KEGG IDC09367
SourceHypecoum procumbens
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. Pabuccoglu,J.Nat.Prod.,52,(1989),716
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 3 of 6

ID2329
NameIsocorydine
Pubchem ID10143
KEGG IDC09549
SourceHypecoum procumbens
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. Saad,Phytochem.,38,(1995),1049
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 4 of 6

ID2376
NameIsocorydine
Pubchem ID10143
KEGG IDC09549
SourceHypecoum procumbens
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. Saad,Phytochem.,38,(1995),1049
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 5 of 6

ID3009
NameProtopine
Pubchem ID4970
KEGG IDC05189
SourceHypecoum procumbens
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. Saad,J.Pharm.Sci.,14,(1995),177
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 6 of 6

ID3244
Name(S)-Scoulerine
Pubchem ID439654
KEGG IDC02106
SourceHypecoum procumbens
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. Source  
2. Function  
3. All Records