3-(3'-Methoxytropoyloxy)tropane
AlkaPlorer ID: AK000589
Synonym: None
IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-(3-methoxyphenyl)propanoate
Structure
SMILES: CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC(=CC=C3)OC
InChI: InChI=1S/C18H25NO4/c1-19-13-6-7-14(19)10-16(9-13)23-18(21)17(11-20)12-4-3-5-15(8-12)22-2/h3-5,8,13-14,16-17,20H,6-7,9-11H2,1-2H3/t13-,14+,16?,17?
InChIKey: GTQDIPBCLBLDHT-CBHXASLJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Datura inoxia | Datura | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 319.401
TPSA？: 59.0
MolLogP？: 1.9395
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|