Senkirkine
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL469650 | |
| PubChem: | 6442498 | |
| IUPAC: | (1R,4E,6R,7R,11Z)-4-ethylidene-7-hydroxy-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione | |
| Standard InChI: | InChI=1S/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5+,14-6-/t12-,15-,19-/m1/s1 | |
| Standard InChI Key: | HPDHKHMHQGCNPE-HKZJLVJOSA-N | |
| SMILES: | C/C=C/1C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN(CC[C@@H](OC1=O)C2=O)C | |
Molecular propeties
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| AlogP: | 1.01 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 2 | |
| Molecular Weight: | 365.18 | |
| Topological polar surface area: | 93.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.632 | |
| Number of carbons: | 19 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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