Molecule

UNPD191631

AlkaPlorer ID: AK040120

Synonym: None

IUPAC Name: [(1S,2R,8S)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl] (Z)-2-methylbut-2-enoate

Structure

SMILES: C/C=C(/C)C(=O)O[C@H]1CN2CCC[C@H]2[C@H]1CO

InChI: InChI=1S/C13H21NO3/c1-3-9(2)13(16)17-12-7-14-6-4-5-11(14)10(12)8-15/h3,10-12,15H,4-8H2,1-2H3/b9-3-/t10-,11+,12+/m1/s1

InChIKey: HQARVRYBUBTANR-JTPMTOLCSA-N

Reference

Pyrrolizidine Alkaloide in Petasites fragrans

PubChem CID: 6440436

CAS: 70474-33-8

LOTUS: LTS0011654

NPASS: NPC186320

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Triadica sebifera	Triadica	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Isophysis tasmanica	Isophysis	Iridaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Bunodosoma caissarum	Bunodosoma	Actiniidae	Actiniaria	Anthozoa	Cnidaria	Metazoa	Eukaryota
Plantago lundborgii	Plantago	Plantaginaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Mantella aurantiaca	Mantella	Mantellidae	Anura	Amphibia	Chordata	Metazoa	Eukaryota
Berneuxia thibetica	Berneuxia	Diapensiaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Bongardia chrysogonum	Bongardia	Berberidaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Matricaria matricarioides	Matricaria	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Elizabethkingia meningoseptica	Elizabethkingia	Weeksellaceae	Flavobacteriales	Flavobacteriia	Bacteroidota	None	Bacteria
Metasequoia glyptostroboides	Metasequoia	Cupressaceae	Cupressales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
Eragrostis curvula	Eragrostis	Poaceae	Poales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Streptomyces ehimensis	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Astragalus ernestii	Astragalus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Solanum pseudoquina	Solanum	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Petasites japonicus	Petasites	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Adonis sutchuenensis	Adonis	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Fritillaria meleagris	Fritillaria	Liliaceae	Liliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cladogynos orientalis	Cladogynos	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 239.315

TPSA？: 49.77

MolLogP？: 0.9509

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi