Australine
AlkaPlorer ID: AK000551
Synonym: 'Australine', '', '3,7a-Diepialexine', 'Alexine', '1-epialexine', '3-epi-Australine'
IUPAC Name: (1R,2R,3R,7R,8R)-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-FMDGEEDCSA-N
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 |
|---|---|---|---|---|---|
| None | Unchecked | IC50 | 95000.0 | nM | 10.1021/np0499721 |