| ID | 2176 |
| Name | Fumaricine |
| Pubchem ID | 442236 |
| KEGG ID | C09444 |
| Source | Fumaria capreolate |
| Type | Natural |
| Function | Anti-inflammatory |
| Drug Like Properties | Yes |
| Molecular Weight | 369.41 |
| Exact mass | 369.157623 |
| Molecular formula | C21H23NO5 |
| XlogP | 2.3 |
| Topological Polar Surface Area | 60.4 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 6 |
| Rotational Bond Count | 2 |
| IUPAC Name | (1R,8'S)-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC(=C(C=C2C13CC4=C(C3O)C5=C(C=C4)OCO5)OC)OC |
| Isomeric SMILE | CN1CCC2=CC(=C(C=C2[C@@]13CC4=C([C@@H]3O)C5=C(C=C4)OCO5)OC)OC |
| Drugpedia | wiki |
| References | 1. Sousek,Phytochem.Anal.,10,(1999),6 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |