Molecule

Tigloidine

AlkaPlorer ID: AK000481

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-LKQNJMEQSA-N

Reference

Alkaloids of Scopolia carniolica

CAS: 533-08-4

LOTUS: LTS0267395

NPASS: NPC51122

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Sanicula europaea	Sanicula	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Stevia tomentosa	Stevia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Datura inoxia	Datura	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Bazzania trilobata	Bazzania	Lepidoziaceae	Jungermanniales	Jungermanniopsida	Streptophyta	Viridiplantae	Eukaryota
Terpios hoshinota	Terpios	None	Suberitida	Demospongiae	Porifera	Metazoa	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
AKRT001452	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_29333