| ID | 2109 |
| Name | Erysotrine |
| Pubchem ID | 442219 |
| KEGG ID | C09423 |
| Source | Erythrina poeppigiana |
| Type | Natural |
| Function | Neuromuscular blocking agent |
| Drug Like Properties | Yes |
| Molecular Weight | 313.39 |
| Exact mass | 313.167794 |
| Molecular formula | C19H23NO3 |
| XlogP | 2.1 |
| Topological Polar Surface Area | 30.9 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 4 |
| Rotational Bond Count | 3 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | COC1CC23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1 |
| Isomeric SMILE | CO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1 |
| Drugpedia | wiki |
| References | 1. Jackson,Allertonia,3,(1982),47 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
| ID | 2433 |
| Name | Isoteolin |
| Pubchem ID | 133323 |
| KEGG ID | C09541 |
| Source | Erythrina poeppigiana |
| Type | Natural |
| Function | Insect feeding inhibitor |
| Drug Like Properties | Yes |
| Molecular Weight | 327.37 |
| Exact mass | 327.147058 |
| Molecular formula | C19H21NO4 |
| XlogP | 2.2 |
| Topological Polar Surface Area | 62.2 |
| H-Bond Donor | 2 |
| H-Bond Acceptor | 5 |
| Rotational Bond Count | 2 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)O)OC |
| Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)O)OC |
| Drugpedia | wiki |
| References | 1. Jackson,Allertonia,3,(1982),47 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |