| ID | 2754 |
| Name | Nchembio.105-comp33 |
| Pubchem ID | 440591 |
| KEGG ID | C05202 |
| Source | N/A |
| Type | Unknown |
| Function | Unknown |
| Drug Like Properties | Yes |
| Molecular Weight | 315.36 |
| Exact mass | 315.147058 |
| Molecular formula | C18H21NO4 |
| XlogP | 2.7 |
| Topological Polar Surface Area | 73.2 |
| H-Bond Donor | 3 |
| H-Bond Acceptor | 5 |
| Rotational Bond Count | 3 |
| IUPAC Name | 4-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzene-1,2-diol |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)O)O)O)OC |
| Isomeric SMILE | CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)O)O)O)OC |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |