Anisodamine
AlkaPlorer ID: AK000888
Synonym: 'Anisodamine', '6-Hydroxyhyoscyamine hydrobromide', '(+)-7b-Hydroxyhyoscyamine', '7beta-Hydroxyhyoscyamine', '6beta-Hydroxyhyoscyamine', '6-Hydroxyhyoscyamine'
IUPAC Name: [(1S,3R,5S,6R)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate
Structure
SMILES: CN1[C@@H]2C[C@@H](OC(=O)C(CO)C3=CC=CC=C3)C[C@H]1[C@H](O)C2
InChI: InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12-,13-,14?,15+,16-/m1/s1
InChIKey: WTQYWNWRJNXDEG-GKAUHRNCSA-N
Reference
Nine new tropane alkaloids from Datura stramonium L. identified by GC/MS
PubChem CID: 71711121
CAS: 161718-85-0
LOTUS: LTS0197447
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Datura stramonium | Datura | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 305.374
TPSA？: 70.0
MolLogP？: 0.9016999999999992
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|