ID | 1918 |
Name | Columbamine |
Pubchem ID | 72310 |
KEGG ID | C01795 |
Source | Nandina domestica |
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. Ikuta,Plant Tissue Culture (Maruzen Tokyo)(1982),315 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2742 |
Name | Nandazurine |
Pubchem ID | 5319999 |
KEGG ID | N/A |
Source | Nandina domestica |
Type | Natural |
Function | Unknown |
Drug Like Properties | Yes |
Molecular Weight | 335.31 |
Exact mass | 335.079373 |
Molecular formula | C19H13NO5 |
XlogP | 3.8 |
Topological Polar Surface Area | 71.7 |
H-Bond Donor | 0 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 1 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | C[N+]1=C2C3=C(C4=CC5=C(C=C4C2=O)OCO5)C(=C(C=C3C=C1)OC)[O-] |
Isomeric SMILE | N/A |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |
ID | 2743 |
Name | Nantenine |
Pubchem ID | 197001 |
KEGG ID | N/A |
Source | Nandina domestica |
Type | Natural |
Function | Hypotensive |
Drug Like Properties | Yes |
Molecular Weight | 339.39 |
Exact mass | 339.147058 |
Molecular formula | C20H21NO4 |
XlogP | 3.2 |
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 | CN1CCC2=CC(=C(C3=C2C1CC4=CC5=C(C=C43)OCO5)OC)OC |
Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC5=C(C=C43)OCO5)OC)OC |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |
ID | 3116 |
Name | Salutaridine |
Pubchem ID | 5408233 |
KEGG ID | C05179 |
Source | Nandina domestica |
Type | Natural |
Function | Anticancer |
Drug Like Properties | Yes |
Molecular Weight | 327.37 |
Exact mass | 327.147058 |
Molecular formula | C19H21NO4 |
XlogP | 1.9 |
Topological Polar Surface Area | 59 |
H-Bond Donor | 1 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 2 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC23C=C(C(=O)C=C2C1CC4=C3C(=C(C=C4)OC)O)OC |
Isomeric SMILE | CN1CC[C@]23C=C(C(=O)C=C2[C@H]1CC4=C3C(=C(C=C4)OC)O)OC |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |