| ID | 2457 |
| Name | Isoteolin |
| Pubchem ID | 133323 |
| KEGG ID | C09541 |
| Source | Thalictrum collinum |
| 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. Lu,Shenyang Yaoxueyuan Xuebao,6,(1989),130 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |