| ID | 1738 |
| Name | Chelirubine |
| Pubchem ID | 161243 |
| KEGG ID | C06327 |
| Source | Eschscholtzia californica |
| Type | Natural |
| Function | Nematocidal |
| Drug Like Properties | Yes |
| Molecular Weight | 362.36 |
| Exact mass | 362.102848 |
| Molecular formula | C21H16NO5+ |
| XlogP | 4.4 |
| Topological Polar Surface Area | 50 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 5 |
| Rotational Bond Count | 1 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | C[N+]1=CC2=C3C(=CC(=C2C4=C1C5=CC6=C(C=C5C=C4)OCO6)OC)OCO3 |
| Isomeric SMILE | N/A |
| Drugpedia | wiki |
| References | 1. Tanahashi,J.Nat.Prod.,53,(1990),579 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
| ID | 2570 |
| Name | Macarpine |
| Pubchem ID | 440929 |
| KEGG ID | C06165 |
| Source | Eschscholtzia californica |
| Type | Natural |
| Function | Unknown |
| Drug Like Properties | Yes |
| Molecular Weight | 392.38 |
| Exact mass | 392.113412 |
| Molecular formula | C22H18NO6+ |
| XlogP | 4.4 |
| Topological Polar Surface Area | 59.3 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 6 |
| Rotational Bond Count | 2 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | C[N+]1=CC2=C3C(=CC(=C2C4=C1C5=CC6=C(C=C5C(=C4)OC)OCO6)OC)OCO3 |
| Isomeric SMILE | N/A |
| Drugpedia | wiki |
| References | 1. Tanahashi,J.Nat.Prod.,53,(1990),579 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |