(-)-Scopolamine
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL13030 | |
| PubChem: | 5184 | |
| IUPAC: | (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 3-hydroxy-2-phenylpropanoate | |
| Standard InChI: | InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3 | |
| Standard InChI Key: | STECJAGHUSJQJN-UHFFFAOYSA-N | |
| SMILES: | OCC(c1ccccc1)C(=O)OC1CC2N(C(C1)C1C2O1)C | |
Molecular propeties
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| AlogP: | 0.92 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 4 | |
| Molecular Weight: | 303.15 | |
| Topological polar surface area: | 62.3 | |
| 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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