Securinega Amamine B
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL251668 | |
| PubChem: | 24762833 | |
| IUPAC: | (1S,2S,4S,8S,9S)-4,9-dimethoxy-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadec-11-en-13-one | |
| Standard InChI: | InChI=1S/C15H21NO4/c1-18-10-3-4-16-11-8-15(13(16)7-10)9(5-12(11)19-2)6-14(17)20-15/h6,10-13H,3-5,7-8H2,1-2H3/t10-,11-,12-,13-,15-/m0/s1 | |
| Standard InChI Key: | KBEIBRVSMQBGPK-CXOVXGEYSA-N | |
| SMILES: | CO[C@H]1CCN2[C@@H](C1)[C@]13OC(=O)C=C3C[C@@H]([C@@H]2C1)OC | |
Molecular propeties
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| AlogP: | 0.88 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 4 | |
| Molecular Weight: | 279.15 | |
| Topological polar surface area: | 48 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.8 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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