UNPD59789
AlkaPlorer ID: AK055176
Synonym: None
IUPAC Name: [(1S,3S,5R,6S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] (Z)-2-methylbut-2-enoate
Structure
SMILES: C/C=C(/C)C(=O)O[C@H]1C[C@@H]2C[C@H](O)C[C@H]1N2C
InChI: InChI=1S/C13H21NO3/c1-4-8(2)13(16)17-12-6-9-5-10(15)7-11(12)14(9)3/h4,9-12,15H,5-7H2,1-3H3/b8-4-/t9-,10-,11+,12-/m0/s1
InChIKey: FSTVJNLNEVDORU-KRVMMJIHSA-N
Reference
Tropane Alkaloids from Schizanthus pinnatus
PubChem CID: 129846300
LOTUS: LTS0136064
SuperNatural Ⅲ: SN0094603-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Schizanthus pinnatus | Schizanthus | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 239.315
TPSA？: 49.77
MolLogP？: 1.0918
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|