Molecule

Anisodamine

AlkaPlorer ID: AK000893

Synonym: 'Anisodamine', '6-Hydroxyhyoscyamine hydrobromide', '(+)-7b-Hydroxyhyoscyamine', '7beta-Hydroxyhyoscyamine', '6beta-Hydroxyhyoscyamine', '6-Hydroxyhyoscyamine'

IUPAC Name: [(1S,3S,5S,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenylpropanoate

Structure

SMILES: CN1[C@@H]2C[C@H](OC(=O)[C@@H](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-YXMSTPNBSA-N

Reference

Functional characterisation of a tropine-forming reductase gene from Brugmansia arborea, a woody plant species producing tropane alkaloids

PubChem CID: 162981524

LOTUS: LTS0259955

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Brugmansia arborea	Brugmansia	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