ID | 1927 |
Name | Columbamine |
Pubchem ID | 72310 |
KEGG ID | C01795 |
Source | Thalictrum revolutum |
Type | Natural |
Function | Dopamine Agonist |
Drug Like Properties | Yes |
Molecular Weight | 338.38 |
Exact mass | 338.139233 |
Molecular formula | C20H20NO4+ |
XlogP | 3.4 |
Topological Polar Surface Area | 51.8 |
H-Bond Donor | 1 |
H-Bond Acceptor | 4 |
Rotational Bond Count | 3 |
IUPAC Name | 3,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)O)OC |
Isomeric SMILE | N/A |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |
ID | 2147 |
Name | Eschscholtzidine |
Pubchem ID | 442222 |
KEGG ID | C09426 |
Source | Thalictrum revolutum |
Type | Natural |
Function | Antibacterial |
Drug Like Properties | Yes |
Molecular Weight | 339.39 |
Exact mass | 339.147058 |
Molecular formula | C20H21NO4 |
XlogP | 3.1 |
Topological Polar Surface Area | 40.2 |
H-Bond Donor | 0 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 2 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1C2CC3=CC4=C(C=C3C1CC5=CC(=C(C=C25)OC)OC)OCO4 |
Isomeric SMILE | CN1[C@H]2CC3=CC4=C(C=C3[C@@H]1CC5=CC(=C(C=C25)OC)OC)OCO4 |
Drugpedia | wiki |
References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |