| ID | 1366 |
| Name | Berberine |
| Pubchem ID | 2353 |
| KEGG ID | D06817 |
| Source | Phellodendron amurense |
| Type | Natural |
| Function | Antiparasitic |
| Drug Like Properties | Yes |
| Molecular Weight | 336.36 |
| Exact mass | 336.123583 |
| Molecular formula | C20H18NO4+ |
| XlogP | 3.6 |
| Topological Polar Surface Area | 40.8 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 4 |
| Rotational Bond Count | 2 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC |
| Isomeric SMILE | N/A |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |
| ID | 1418 |
| Name | Berberine |
| Pubchem ID | 2353 |
| KEGG ID | D06817 |
| Source | Phellodendron amurense |
| Type | Natural |
| Function | Antifungal |
| Drug Like Properties | Yes |
| Molecular Weight | 336.36 |
| Exact mass | 336.123583 |
| Molecular formula | C20H18NO4+ |
| XlogP | 3.6 |
| Topological Polar Surface Area | 40.8 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 4 |
| Rotational Bond Count | 2 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC |
| Isomeric SMILE | N/A |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |
| ID | 1470 |
| Name | Berberine |
| Pubchem ID | 2353 |
| KEGG ID | D06817 |
| Source | Phellodendron amurense |
| Type | Natural |
| Function | Antidiarrheal |
| Drug Like Properties | Yes |
| Molecular Weight | 336.36 |
| Exact mass | 336.123583 |
| Molecular formula | C20H18NO4+ |
| XlogP | 3.6 |
| Topological Polar Surface Area | 40.8 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 4 |
| Rotational Bond Count | 2 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC |
| Isomeric SMILE | N/A |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |
| ID | 2932 |
| Name | Phellodendrine |
| Pubchem ID | 3081405 |
| KEGG ID | N/A |
| Source | Phellodendron amurense |
| Type | Natural |
| Function | Antinephritic |
| Drug Like Properties | Yes |
| Molecular Weight | 342.41 |
| Exact mass | 342.170533 |
| Molecular formula | C20H24NO4+ |
| XlogP | 2.6 |
| Topological Polar Surface Area | 58.9 |
| H-Bond Donor | 2 |
| H-Bond Acceptor | 4 |
| Rotational Bond Count | 2 |
| IUPAC Name | (7S,13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,11-diol |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | C[N+]12CCC3=CC(=C(C=C3C1CC4=CC(=C(C=C4C2)OC)O)O)OC |
| Isomeric SMILE | C[N@@+]12CCC3=CC(=C(C=C3[C@@H]1CC4=CC(=C(C=C4C2)OC)O)O)OC |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |