| ID | 2409 |
| Name | Isocorypalmine |
| Pubchem ID | 440229 |
| KEGG ID | C04118 |
| Source | Papaver triniifolium |
| Type | Natural |
| Function | Smooth muscle relaxant |
| Drug Like Properties | Yes |
| Molecular Weight | 341.40 |
| Exact mass | 341.162708 |
| Molecular formula | C20H23NO4 |
| XlogP | 2.9 |
| Topological Polar Surface Area | 51.2 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 5 |
| Rotational Bond Count | 3 |
| IUPAC Name | (13aS)-3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)OC |
| Isomeric SMILE | COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)OC |
| Drugpedia | wiki |
| References | 1. Sari,Pharmazie,55,(2000),471 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
| ID | 3092 |
| Name | Rhoeadine |
| Pubchem ID | 197775 |
| KEGG ID | C09619 |
| Source | Papaver triniifolium |
| Type | Natural |
| Function | Cytotoxic |
| Drug Like Properties | Yes |
| Molecular Weight | 383.39 |
| Exact mass | 383.136887 |
| Molecular formula | C21H21NO6 |
| XlogP | 2.4 |
| Topological Polar Surface Area | 58.6 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 7 |
| Rotational Bond Count | 1 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3 |
| Isomeric SMILE | CN1CCC2=CC3=C(C=C2[C@@H]4[C@H]1C5=C([C@H](O4)OC)C6=C(C=C5)OCO6)OCO3 |
| Drugpedia | wiki |
| References | 1. Sari,Pharmazie,55,(2000),471 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
| ID | 3102 |
| Name | Rhoeadine |
| Pubchem ID | 197775 |
| KEGG ID | C09619 |
| Source | Papaver triniifolium |
| Type | Natural |
| Function | Sedative |
| Drug Like Properties | Yes |
| Molecular Weight | 383.39 |
| Exact mass | 383.136887 |
| Molecular formula | C21H21NO6 |
| XlogP | 2.4 |
| Topological Polar Surface Area | 58.6 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 7 |
| Rotational Bond Count | 1 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3 |
| Isomeric SMILE | CN1CCC2=CC3=C(C=C2[C@@H]4[C@H]1C5=C([C@H](O4)OC)C6=C(C=C5)OCO6)OCO3 |
| Drugpedia | wiki |
| References | 1. Sari,Pharmazie,55,(2000),471 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |