| ID | 1793 |
| Name | Coclaurine |
| Pubchem ID | 160487 |
| KEGG ID | C06161 |
| Source | Neolitsea villosa |
| Type | Natural |
| Function | Anti-HIV |
| Drug Like Properties | Yes |
| Molecular Weight | 285.34 |
| Exact mass | 285.136493 |
| Molecular formula | C17H19NO3 |
| XlogP | 2.6 |
| Topological Polar Surface Area | 61.7 |
| H-Bond Donor | 3 |
| H-Bond Acceptor | 4 |
| Rotational Bond Count | 3 |
| IUPAC Name | (1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | COC1=C(C=C2C(NCCC2=C1)CC3=CC=C(C=C3)O)O |
| Isomeric SMILE | COC1=C(C=C2[C@@H](NCCC2=C1)CC3=CC=C(C=C3)O)O |
| Drugpedia | wiki |
| References | 1. Lee,Chung-hua Yao Hsueh Tsa Chih,47,(1995),69 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |