Record No. 1 of 3

ID1205
Name(-)-Argemonine
Pubchem ID442168
KEGG IDC09341
SourceThalictrum rugosum
TypeNatural
FunctionAntiarrhythmic
Drug Like PropertiesYes
Molecular Weight355.43
Exact mass355.178358
Molecular formulaC21H25NO4
XlogP3.3
Topological Polar Surface Area40.2
H-Bond Donor0
H-Bond Acceptor5
Rotational Bond Count4
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1C2CC3=CC(=C(C=C3C1CC4=CC(=C(C=C24)OC)OC)OC)OC
Isomeric SMILECN1[C@H]2CC3=CC(=C(C=C3[C@@H]1CC4=CC(=C(C=C24)OC)OC)OC)OC
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 2 of 3

ID3112
NameRugosinone
Pubchem ID442350
KEGG IDC09634
SourceThalictrum rugosum
TypeNatural
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight353.33
Exact mass353.089937
Molecular formulaC19H15NO6
XlogP3.7
Topological Polar Surface Area87.1
H-Bond Donor1
H-Bond Acceptor7
Rotational Bond Count4
IUPAC Name[1,3]dioxolo[4,5-g]isoquinolin-5-yl-(2-hydroxy-3,4-dimethoxyphenyl)methanone
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C(=C(C=C1)C(=O)C2=NC=CC3=CC4=C(C=C32)OCO4)O)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. 3 of 3

ID3381
NameThalcimine
Pubchem ID362568
KEGG IDC09661
SourceThalictrum rugosum
TypeNatural
FunctionAnticancer
Drug Like PropertiesNo
Molecular Weight636.73
Exact mass636.283552
Molecular formulaC38H40N2O7
XlogP5.8
Topological Polar Surface Area80.2
H-Bond Donor0
H-Bond Acceptor9
Rotational Bond Count5
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=C3C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6=NCCC7=CC(=C(C=C76)OC3=C(C(=C2OC)OC)OC)OC)C=C5
Isomeric SMILECN1CCC2=C3[C@@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6=NCCC7=CC(=C(C=C76)OC3=C(C(=C2OC)OC)OC)OC)C=C5
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records