| ID | 1378 |
| Name | Berberine |
| Pubchem ID | 2353 |
| KEGG ID | D06817 |
| Source | Xanthorhiza simplicissima |
| 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 | 1430 |
| Name | Berberine |
| Pubchem ID | 2353 |
| KEGG ID | D06817 |
| Source | Xanthorhiza simplicissima |
| 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 | 1482 |
| Name | Berberine |
| Pubchem ID | 2353 |
| KEGG ID | D06817 |
| Source | Xanthorhiza simplicissima |
| 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 | 2548 |
| Name | Liriodenine |
| Pubchem ID | 10144 |
| KEGG ID | C09567 |
| Source | Xanthorhiza simplicissima |
| Type | Natural |
| Function | Antifungal |
| Drug Like Properties | Yes |
| Molecular Weight | 275.26 |
| Exact mass | 275.058243 |
| Molecular formula | C17H9NO3 |
| XlogP | 3.4 |
| Topological Polar Surface Area | 48.4 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 4 |
| Rotational Bond Count | 0 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53 |
| Isomeric SMILE | N/A |
| Drugpedia | wiki |
| References | 1. Wu,Kao-Hsiung I.Hsuek K'o Hsueh Tsa Chih,5,(1989),409 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |