Record No. 1 of 5

ID1244
NameAtheroline
Pubchem ID5360043
KEGG IDC09343
SourceDehaasia triandra
TypeNatural
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight337.33
Exact mass337.095023
Molecular formulaC19H15NO5
XlogP0.7
Topological Polar Surface Area73.9
H-Bond Donor1
H-Bond Acceptor6
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=CC2=C3C4=C(C(=O)C2=CC1=O)NC=CC4=CC(=C3OC)OC
Isomeric SMILEN/A
Drugpediawiki
References1. Lu,Phytochem.,28,(1989),615
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 2 of 5

ID2324
NameIsocorydine
Pubchem ID10143
KEGG IDC09549
SourceDehaasia triandra
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. Lu,Phytochem.,28,(1989),615
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 3 of 5

ID2371
NameIsocorydine
Pubchem ID10143
KEGG IDC09549
SourceDehaasia triandra
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. Lu,Phytochem.,28,(1989),615
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 4 of 5

ID2431
NameIsoteolin
Pubchem ID133323
KEGG IDC09541
SourceDehaasia triandra
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. Lee,Tetrahedron,52,(1996),6561
2. Lee,J.Nat.Prod.,59,(1996),55
3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
4. Source  
5. Function  
6. All Records  
Record No. 5 of 5

ID2846
NameOBABERINE
Pubchem ID100231
KEGG IDC09596
SourceDehaasia triandra
TypeNatural
FunctionAntitrypanosomal
Drug Like PropertiesNo
Molecular Weight622.75
Exact mass622.304287
Molecular formulaC38H42N2O6
XlogP6.7
Topological Polar Surface Area61.9
H-Bond Donor0
H-Bond Acceptor8
Rotational Bond Count4
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O3)OC)OC)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=CC(=C(C=C7CCN6C)OC)O3)OC)OC)OC
Drugpediawiki
References1. Lu,Phytochem.,28,(1989),615
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records