| ID | 2460 |
| Name | Isothebaine |
| Pubchem ID | 11281 |
| KEGG ID | C09550 |
| Source | Papaver macrantha |
| Type | Natural |
| Function | Analgesic |
| Drug Like Properties | Yes |
| Molecular Weight | 311.37 |
| Exact mass | 311.152144 |
| Molecular formula | C19H21NO3 |
| XlogP | 2.6 |
| Topological Polar Surface Area | 41.9 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 4 |
| Rotational Bond Count | 2 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=CC=C4)OC)O)OC |
| Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=CC=C4)OC)O)OC |
| Drugpedia | wiki |
| References | 1. Novak,Sb.Vys.Zemed.Praze Fak.Agron.Rada A-C,53,(1991),11 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
| ID | 2464 |
| Name | Isothebaine |
| Pubchem ID | 11281 |
| KEGG ID | C09550 |
| Source | Papaver macrantha |
| Type | Natural |
| Function | Anti-inflammatory |
| Drug Like Properties | Yes |
| Molecular Weight | 311.37 |
| Exact mass | 311.152144 |
| Molecular formula | C19H21NO3 |
| XlogP | 2.6 |
| Topological Polar Surface Area | 41.9 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 4 |
| Rotational Bond Count | 2 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=CC=C4)OC)O)OC |
| Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=CC=C4)OC)O)OC |
| Drugpedia | wiki |
| References | 1. Novak,Sb.Vys.Zemed.Praze Fak.Agron.Rada A-C,53,(1991),11 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
| ID | 3418 |
| Name | Thebaine |
| Pubchem ID | 5324289 |
| KEGG ID | C06173 |
| Source | Papaver macrantha |
| Type | Natural |
| Function | Convulsions |
| Drug Like Properties | Yes |
| Molecular Weight | 311.37 |
| Exact mass | 311.152144 |
| Molecular formula | C19H21NO3 |
| XlogP | 2.2 |
| Topological Polar Surface Area | 30.9 |
| 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 | CN1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)OC)O4)OC |
| Isomeric SMILE | CN1CC[C@]23[C@@H]4C(=CC=C2[C@H]1CC5=C3C(=C(C=C5)OC)O4)OC |
| Drugpedia | wiki |
| References | 1. Novak,Sb.Vys.Zemed.Praze Fak.Agron.Rada A-C,53,(1991),11 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |