| ID | 3062 |
| Name | Reticuline |
| Pubchem ID | 10233 |
| KEGG ID | C12328 |
| Source | Hernandia nymphaefolia |
| Type | Natural |
| Function | Dopamine Antagonist |
| Drug Like Properties | Yes |
| Molecular Weight | 329.39 |
| Exact mass | 329.162708 |
| Molecular formula | C19H23NO4 |
| XlogP | 3 |
| Topological Polar Surface Area | 62.2 |
| H-Bond Donor | 2 |
| H-Bond Acceptor | 5 |
| Rotational Bond Count | 4 |
| IUPAC Name | 1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC |
| Isomeric SMILE | N/A |
| Drugpedia | wiki |
| References | 1. Chen,Planta Med.,55,(2000),133 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
| ID | 3383 |
| Name | Thalicarpine |
| Pubchem ID | 21470 |
| KEGG ID | C09655 |
| Source | Hernandia nymphaefolia |
| Type | Natural |
| Function | Antimicrobial |
| Drug Like Properties | No |
| Molecular Weight | 696.83 |
| Exact mass | 696.341067 |
| Molecular formula | C41H48N2O8 |
| XlogP | 6.7 |
| Topological Polar Surface Area | 80.3 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 10 |
| Rotational Bond Count | 11 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)OC)OC |
| Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5C[C@H]6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)OC)OC |
| Drugpedia | wiki |
| References | 1. Chen,Planta Med.,55,(2000),133 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |