4-Epiphyllanthine
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL398306 | |
| PubChem: | 44445585 | |
| IUPAC: | (1S,2R,4S,8S)-4-hydroxy-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one | |
| Standard InChI: | InChI=1S/C13H15NO3/c15-10-3-4-14-9-2-1-8-5-12(16)17-13(8,7-9)11(14)6-10/h1-2,5,9-11,15H,3-4,6-7H2/t9-,10+,11-,13+/m1/s1 | |
| Standard InChI Key: | XBTUEUZQDYSZCE-XZUYRWCXSA-N | |
| SMILES: | O[C@H]1CCN2[C@H](C1)[C@]13OC(=O)C=C3C=C[C@@H]2C1 | |
Molecular propeties
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| AlogP: | 0.38 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 4 | |
| Molecular Weight: | 233.11 | |
| Topological polar surface area: | 49.8 | |
| 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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