Senecionine
Representations & DB's id
| ||
| ChEBI: | CHEBI:9107 | |
|---|---|---|
| ChEMBL: | CHEMBL362153 | |
| PubChem: | 5280906 | |
| IUPAC: | (1R,4Z,6R,7R,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione | |
| Standard InChI: | InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-/m1/s1 | |
| Standard InChI Key: | HKODIGSRFALUTA-JTLQZVBZSA-N | |
| SMILES: | C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3 | |
Molecular propeties
| ||
| AlogP: | 1.19 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 3 | |
| Molecular Weight: | 335.17 | |
| Topological polar surface area: | 76.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.667 | |
| Number of carbons: | 18 | |