Record No. 1 of 2

ID1927
NameColumbamine
Pubchem ID72310
KEGG IDC01795
SourceThalictrum revolutum
TypeNatural
FunctionDopamine Agonist
Drug Like PropertiesYes
Molecular Weight338.38
Exact mass338.139233
Molecular formulaC20H20NO4+
XlogP3.4
Topological Polar Surface Area51.8
H-Bond Donor1
H-Bond Acceptor4
Rotational Bond Count3
IUPAC Name3,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)O)OC
Isomeric SMILEN/A
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References1. Source  
2. Function  
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Record No. 2 of 2

ID2147
NameEschscholtzidine
Pubchem ID442222
KEGG IDC09426
SourceThalictrum revolutum
TypeNatural
FunctionAntibacterial
Drug Like PropertiesYes
Molecular Weight339.39
Exact mass339.147058
Molecular formulaC20H21NO4
XlogP3.1
Topological Polar Surface Area40.2
H-Bond Donor0
H-Bond Acceptor5
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1C2CC3=CC4=C(C=C3C1CC5=CC(=C(C=C25)OC)OC)OCO4
Isomeric SMILECN1[C@H]2CC3=CC4=C(C=C3[C@@H]1CC5=CC(=C(C=C25)OC)OC)OCO4
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records