Molecule

Tigloidine

AlkaPlorer ID: AK000483

Synonym: '', '3beta-Tigloyloxytropane', 'tiglylpseudotropine', 'Tigloidine', 'Tigloyl pseudotropine', 'tigloyl pseudotropine', 'tigloidin', 'tiglyssin', 'Tigloidin'

IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate

Structure

SMILES: C/C=C(\C)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C

InChI: InChI=1S/C13H21NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h4,10-12H,5-8H2,1-3H3/b9-4+/t10-,11+,12-

InChIKey: UVHGSMZRSVGWDJ-WJKWMCMVSA-N

Reference

The alkaloids of the genus Datura, section brugmansia. Part V. Alkaloids of D. sanguinea R. and P. and related esters of tropane-3α,6β,7β-triol

LOTUS: LTS0011185

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Datura stramonium	Datura	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 223.316

TPSA？: 29.54

MolLogP？: 2.121

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT001451	C/C=C(\C)C(=O)[CoA].CN1[C@H]2CC[C@@H]1C[C@@H](O)C2>>C/C=C(\C)C(=O)O[C@H]1C[C@@H]2CC[C@H](C1)N2C	enzymemap_29338