Helenine
Representations & DB's id
| ||
| ChEBI: | CHEBI:2540 | |
|---|---|---|
| ChEMBL: | CHEMBL136356 | |
| PubChem: | 72724 | |
| IUPAC: | (3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one | |
| Standard InChI: | InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3/t9-,11+,13+,15+/m0/s1 | |
| Standard InChI Key: | PXOYOCNNSUAQNS-AGNJHWRGSA-N | |
| SMILES: | C[C@H]1CCC[C@]2(C1=C[C@H]1[C@@H](C2)OC(=O)C1=C)C | |
Molecular propeties
| ||
| AlogP: | 3.24 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 3 | |
| Molecular Weight: | 232.15 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.667 | |
| Number of carbons: | 15 | |