| ID | 2178 |
| Name | Fumaricine |
| Pubchem ID | 442236 |
| KEGG ID | C09444 |
| Source | Fumaria muralis |
| 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 |
| ID | 2999 |
| Name | Protopine |
| Pubchem ID | 4970 |
| KEGG ID | C05189 |
| Source | Fumaria muralis |
| Type | Natural |
| Function | Antibacterial |
| Drug Like Properties | Yes |
| Molecular Weight | 353.37 |
| Exact mass | 353.126323 |
| Molecular formula | C20H19NO5 |
| XlogP | 2.8 |
| Topological Polar Surface Area | 57.2 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 6 |
| Rotational Bond Count | 0 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C5=C(C=C4)OCO5)OCO3 |
| Isomeric SMILE | N/A |
| 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 |
| ID | 3291 |
| Name | Stylopine |
| Pubchem ID | 440583 |
| KEGG ID | C05175 |
| Source | Fumaria muralis |
| Type | Natural |
| Function | Unknown |
| Drug Like Properties | Yes |
| Molecular Weight | 323.34 |
| Exact mass | 323.115758 |
| Molecular formula | C19H17NO4 |
| XlogP | 3 |
| Topological Polar Surface Area | 40.2 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 5 |
| Rotational Bond Count | 0 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | C1CN2CC3=C(CC2C4=CC5=C(C=C41)OCO5)C=CC6=C3OCO6 |
| Isomeric SMILE | C1CN2CC3=C(C[C@H]2C4=CC5=C(C=C41)OCO5)C=CC6=C3OCO6 |
| 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 |