| ID | 3112 |
| Name | Rugosinone |
| Pubchem ID | 442350 |
| KEGG ID | C09634 |
| Source | Thalictrum rugosum |
| Type | Natural |
| Function | Unknown |
| Drug Like Properties | Yes |
| Molecular Weight | 353.33 |
| Exact mass | 353.089937 |
| Molecular formula | C19H15NO6 |
| XlogP | 3.7 |
| Topological Polar Surface Area | 87.1 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 7 |
| Rotational Bond Count | 4 |
| IUPAC Name | [1,3]dioxolo[4,5-g]isoquinolin-5-yl-(2-hydroxy-3,4-dimethoxyphenyl)methanone |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | COC1=C(C(=C(C=C1)C(=O)C2=NC=CC3=CC4=C(C=C32)OCO4)O)OC |
| Isomeric SMILE | N/A |
| Drugpedia | wiki |
| References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |