Molecule

Tigloidine

AlkaPlorer ID: AK000484

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

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

Structure

SMILES: C/C=C(/C)C(=O)OC1C[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-FMRNMKQDSA-N

Reference

PubChem CID: 6540490

NPASS: NPC250042

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Daucus carota	Daucus	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Angelica pubescens	Angelica	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Croton tiglium	Croton	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Angelica archangelica	Angelica	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Datura inoxia	Datura	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Datura metel	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