Molecule

Australine

AlkaPlorer ID: AK000547

Synonym: 'Australine', '', '3,7a-Diepialexine', 'Alexine', '1-epialexine', '3-epi-Australine'

IUPAC Name: (1R,2R,3R,7S,8S)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol

SMILES: OC[C@@H]1[C@@H](O)[C@H](O)[C@@H]2[C@@H](O)CCN21

InChI: InChI=1S/C8H15NO4/c10-3-4-7(12)8(13)6-5(11)1-2-9(4)6/h4-8,10-13H,1-3H2/t4-,5+,6+,7-,8-/m1/s1

InChIKey: AIQMLBKBQCVDEY-DWOUCZDBSA-N

PubChem CID: 189377

CAS: 116174-63-1

LOTUS: LTS0130658

SuperNatural Ⅲ: SN0006673-01

NPASS: NPC57381

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Gaillardia aestivalis	Gaillardia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cassine glauca	Cassine	Celastraceae	Celastrales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Paramignya monophylla	Paramignya	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Calystegia soldanella	Calystegia	Convolvulaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 189.211

TPSA？: 84.16

MolLogP？: -2.4821

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi