Anisodamine
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2165224 | |
| PubChem: | 6918612 | |
| IUPAC: | [(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate | |
| Standard InChI: | InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12-,13-,14+,15+,16-/m0/s1 | |
| Standard InChI Key: | WTQYWNWRJNXDEG-RBZJEDDUSA-N | |
| SMILES: | OC[C@H](c1ccccc1)C(=O)O[C@H]1C[C@H]2C[C@@H]([C@@H](C1)N2C)O | |
Molecular propeties
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| AlogP: | 0.9 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 305.16 | |
| Topological polar surface area: | 70 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.588 | |
| Number of carbons: | 17 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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