Securinega Amamine C
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL398307 | |
| PubChem: | 24762834 | |
| IUPAC: | (1S,2R,8S,9S)-9-methoxy-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadec-11-en-13-one | |
| Standard InChI: | InChI=1S/C14H19NO3/c1-17-11-6-9-7-13(16)18-14(9)8-10(11)15-5-3-2-4-12(14)15/h7,10-12H,2-6,8H2,1H3/t10-,11-,12+,14-/m0/s1 | |
| Standard InChI Key: | FTCISLOTUCZXTN-FMSGJZPZSA-N | |
| SMILES: | CO[C@H]1CC2=CC(=O)O[C@]32C[C@@H]1N1CCCC[C@H]31 | |
Molecular propeties
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| AlogP: | 1.25 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 4 | |
| Molecular Weight: | 249.14 | |
| Topological polar surface area: | 38.8 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.786 | |
| Number of carbons: | 14 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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