| ID | 1958 |
| Name | Crebanine |
| Pubchem ID | 159999 |
| KEGG ID | N/A |
| Source | Stephania |
| Type | Natural |
| Function | Spasmolytic |
| Drug Like Properties | Yes |
| Molecular Weight | 339.39 |
| Exact mass | 339.147058 |
| Molecular formula | C20H21NO4 |
| XlogP | 3.2 |
| Topological Polar Surface Area | 40.2 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 5 |
| Rotational Bond Count | 2 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC3=C(C4=C2C1CC5=C4C=CC(=C5OC)OC)OCO3 |
| Isomeric SMILE | N/A |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |
| ID | 2059 |
| Name | Drotaverin |
| Pubchem ID | 6437861 |
| KEGG ID | N/A |
| Source | Hungarian drug |
| Type | Natural |
| Function | Spasmolytic |
| Drug Like Properties | No |
| Molecular Weight | 433.97 |
| Exact mass | 433.201986 |
| Molecular formula | C24H32ClNO4 |
| XlogP | N/A |
| Topological Polar Surface Area | 49 |
| H-Bond Donor | 2 |
| H-Bond Acceptor | 5 |
| Rotational Bond Count | 9 |
| IUPAC Name | (1Z)-1-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-3,4-dihydro-2H-isoquinoline hydrochloride |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CCOC1=C(C=C(C=C1)C=C2C3=CC(=C(C=C3CCN2)OCC)OCC)OCC.Cl |
| Isomeric SMILE | CCOC1=C(C=C(C=C1)/C=C2/C3=CC(=C(C=C3CCN2)OCC)OCC)OCC.Cl |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |