Australine
AlkaPlorer ID: AK000543
Synonym: 'Australine', '', '3,7a-Diepialexine', 'Alexine', '1-epialexine', '3-epi-Australine'
IUPAC Name: (1S,2R,3R,7S,8S)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
Structure
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-HNEXDWKRSA-N
Reference
Isolation of the pyrrolizidine alkaloid 1-epialexine from Castanospermum australe
PubChem CID: 14164813
LOTUS: LTS0039137
SuperNatural Ⅲ: SN0006673-04
NPASS: NPC252103
Source
Properties Information
Molecule Weight: 189.211
TPSA?: 84.16
MolLogP?: -2.4821
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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