Record No. 1 of 6

ID1243
NameAtheroline
Pubchem ID5360043
KEGG IDC09343
SourceAtherosperma moschatum
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. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 2 of 6

ID1251
NameAtherospermidine
Pubchem ID77514
KEGG IDC09347
SourceAtherosperma moschatum
TypeNatural
FunctionCytotoxic
Drug Like PropertiesYes
Molecular Weight305.28
Exact mass305.068808
Molecular formulaC18H11NO4
XlogP3.4
Topological Polar Surface Area57.7
H-Bond Donor0
H-Bond Acceptor5
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C2C(=C3C4=CC=CC=C4C(=O)C5=NC=CC1=C35)OCO2
Isomeric SMILEN/A
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 3 of 6

ID1253
Name(+)-Atherospermoline
Pubchem ID177154
KEGG IDC11141
SourceAtherosperma moschatum
TypeNatural
FunctionHypotensive
Drug Like PropertiesNo
Molecular Weight594.70
Exact mass594.272987
Molecular formulaC36H38N2O6
XlogP5.7
Topological Polar Surface Area83.9
H-Bond Donor2
H-Bond Acceptor8
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)O)O)OC
Isomeric SMILECN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)O)O)OC
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 4 of 6

ID1271
NameBerbamine
Pubchem ID275182
KEGG IDC09357
SourceAtherosperma moschatum
TypeNatural
FunctionAntibiotic
Drug Like PropertiesNo
Molecular Weight608.72
Exact mass608.288637
Molecular formulaC37H40N2O6
XlogP6.1
Topological Polar Surface Area72.9
H-Bond Donor1
H-Bond Acceptor8
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC
Isomeric SMILECN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 5 of 6

ID1288
NameBerbamine
Pubchem ID275182
KEGG IDC09357
SourceAtherosperma moschatum
TypeNatural
FunctionAnticancer
Drug Like PropertiesNo
Molecular Weight608.72
Exact mass608.288637
Molecular formulaC37H40N2O6
XlogP6.1
Topological Polar Surface Area72.9
H-Bond Donor1
H-Bond Acceptor8
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC
Isomeric SMILECN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 6 of 6

ID1305
NameBerbamine
Pubchem ID275182
KEGG IDC09357
SourceAtherosperma moschatum
TypeNatural
FunctionVasodilator
Drug Like PropertiesNo
Molecular Weight608.72
Exact mass608.288637
Molecular formulaC37H40N2O6
XlogP6.1
Topological Polar Surface Area72.9
H-Bond Donor1
H-Bond Acceptor8
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC
Isomeric SMILECN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records