[(1S,2S,9aR)-2-hydroxy-octahydro-1H-quinolizin-1-yl]methyl benzoate
AlkaPlorer ID: AK165276
Synonym: None
IUPAC Name: [(1S,2S,9aR)-2-hydroxy-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl benzoate
Structure
SMILES: O=C(OC[C@@H]1[C@H]2CCCCN2CC[C@@H]1O)C1=CC=CC=C1
InChI: InChI=1S/C17H23NO3/c19-16-9-11-18-10-5-4-8-15(18)14(16)12-21-17(20)13-6-2-1-3-7-13/h1-3,6-7,14-16,19H,4-5,8-12H2/t14-,15-,16+/m1/s1
InChIKey: GPGRTALYVPJSHH-OAGGEKHMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ectropis obliqua | Ectropis | Geometridae | Lepidoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
| Digenea simplex | Digenea | Rhodomelaceae | Ceramiales | Florideophyceae | Rhodophyta | None | Eukaryota |
| Lunasia amara | Lunasia | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 289.375
TPSA？: 49.77
MolLogP？: 2.0787
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|