6-Tigloyloxyhyoscyamine
AlkaPlorer ID: AK000450
Synonym: None
IUPAC Name: [(1R,3R,5S,6R)-3-[(2S)-3-hydroxy-2-phenylpropanoyl]oxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] (E)-2-methylbut-2-enoate
Structure
SMILES: C/C=C(\C)/C(=O)O[C@@H]1C[C@H]2C[C@H](C[C@@H]1N2C)OC(=O)[C@H](CO)C3=CC=CC=C3
InChI: InChI=1S/C22H29NO5/c1-4-14(2)21(25)28-20-11-16-10-17(12-19(20)23(16)3)27-22(26)18(13-24)15-8-6-5-7-9-15/h4-9,16-20,24H,10-13H2,1-3H3/b14-4+/t16-,17-,18-,19+,20-/m1/s1
InChIKey: OPGJHCLCUNWOSH-ONWGYBJOSA-N
Reference
Alkaloid Spectrum in Diploid and Tetraploid Hairy Root Cultures of Datura stramonium
PubChem CID: 91750095
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Datura stramonium | Datura | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Datura ceratocaula | Datura | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 387.47600000000006
TPSA？: 76.07
MolLogP？: 2.4188
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|