Securinine
Representations & DB's id
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| ChEBI: | CHEBI:9079 | |
|---|---|---|
| ChEMBL: | CHEMBL303062 | |
| PubChem: | 442872 | |
| IUPAC: | (1S,2R,8S)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one | |
| Standard InChI: | InChI=1S/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2/t10-,11-,13+/m1/s1 | |
| Standard InChI Key: | SWZMSZQQJRKFBP-WZRBSPASSA-N | |
| SMILES: | O=C1C=C2[C@@]3(O1)C[C@@H](C=C2)N1[C@@H]3CCCC1 | |
Molecular propeties
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| AlogP: | 1.41 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 4 | |
| Molecular Weight: | 217.11 | |
| Topological polar surface area: | 29.5 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.615 | |
| Number of carbons: | 13 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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