(S)-Stylopine
Representations & DB's id
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| ChEBI: | CHEBI:18285 | |
|---|---|---|
| ChEMBL: | CHEMBL1922602 | |
| PubChem: | 440583 | |
| IUPAC: | (1S)-5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaene | |
| Standard InChI: | InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1 | |
| Standard InChI Key: | UXYJCYXWJGAKQY-HNNXBMFYSA-N | |
| SMILES: | C1Oc2c(O1)cc1c(c2)CCN2[C@H]1Cc1ccc3c(c1C2)OCO3 | |
Molecular propeties
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| AlogP: | 2.8 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 6 | |
| Molecular Weight: | 323.12 | |
| Topological polar surface area: | 40.2 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.368 | |
| Number of carbons: | 19 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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