[(1R,2R,4S,5S)-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 3-hydroxy-2-phenylpropanoate
AlkaPlorer ID: AK000178
Synonym: None
IUPAC Name: [(1R,2R,4S,5S)-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 3-hydroxy-2-phenylpropanoate
Structure
SMILES: C1[C@@H]2[C@@H]3[C@@H](O3)[C@@H](N2)CC1OC(=O)C(CO)C4=CC=CC=C4
InChI: InChI=1S/C16H19NO4/c18-8-11(9-4-2-1-3-5-9)16(19)20-10-6-12-14-15(21-14)13(7-10)17-12/h1-5,10-15,17-18H,6-8H2/t10?,11?,12-,13+,14-,15+
InChIKey: MOYZEMOPQDTDHA-ZOONQSOGSA-N
Reference
Nine new tropane alkaloids from Datura stramonium L. identified by GC/MS
PubChem CID: 12247549
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Datura inoxia | Datura | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 289.33099999999996
TPSA？: 71.09
MolLogP？: 0.5758999999999996
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|