Phyllantidine
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL398499 | |
| PubChem: | 12314211 | |
| IUPAC: | (1S,2S,9S)-8,15-dioxa-7-azatetracyclo[7.6.1.01,12.02,7]hexadeca-10,12-dien-14-one | |
| Standard InChI: | InChI=1S/C13H15NO3/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(11)17-10/h4-5,7,10-11H,1-3,6,8H2/t10-,11+,13+/m1/s1 | |
| Standard InChI Key: | CTFXYMMZXWWOFY-MDZLAQPJSA-N | |
| SMILES: | O=C1C=C2[C@@]3(O1)C[C@@H](C=C2)ON1[C@H]3CCCC1 | |
Molecular propeties
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| AlogP: | 1.34 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 4 | |
| Molecular Weight: | 233.11 | |
| Topological polar surface area: | 38.8 | |
| 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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