3-Phenylacetoxy-6,7-epoxytropane
AlkaPlorer ID: AK000022
Synonym: None
IUPAC Name: [(1R,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-phenylacetate
Structure
SMILES: CN1[C@@H]2CC(C[C@H]1C3C2O3)OC(=O)CC4=CC=CC=C4
InChI: InChI=1S/C16H19NO3/c1-17-12-8-11(9-13(17)16-15(12)20-16)19-14(18)7-10-5-3-2-4-6-10/h2-6,11-13,15-16H,7-9H2,1H3/t11?,12-,13+,15?,16?
InChIKey: CXCYCFDGKJSNIJ-KSOIGPSBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Datura inoxia | Datura | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Datura ferox | Datura | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 273.33199999999994
TPSA？: 42.07
MolLogP？: 1.3846999999999994
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|