| ID | 2941 |
| Name | Polycarpine |
| Pubchem ID | 5281513 |
| KEGG ID | C09610 |
| Source | Ascidian Polycarpa |
| Type | Natural |
| Function | Anticancer |
| Drug Like Properties | Yes |
| Molecular Weight | 385.41 |
| Exact mass | 385.152537 |
| Molecular formula | C21H23NO6 |
| XlogP | 2.9 |
| Topological Polar Surface Area | 77.5 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 6 |
| Rotational Bond Count | 5 |
| IUPAC Name | (1Z)-1-[(2-hydroxy-3,4-dimethoxyphenyl)methylidene]-6,7-dimethoxy-3,4-dihydroisoquinoline-2-carbaldehyde |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | COC1=C(C(=C(C=C1)C=C2C3=CC(=C(C=C3CCN2C=O)OC)OC)O)OC |
| Isomeric SMILE | COC1=C(C(=C(C=C1)/C=C2/C3=CC(=C(C=C3CCN2C=O)OC)OC)O)OC |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |