castanospermine
AlkaPlorer ID: AK009524
Synonym: '', '(+)-6-Epicastanospermine', 'MLS003389357', '(1S,6S,7R,8R,8aR)-1,6,7,8-tetrahydroxyindolizidine', '(1S-(1alpha,6beta,7alpha,8beta,8alphabeta))-octahydro-1,6,7,8-indolizinetetrol', 'Castanospermine', '(+)-6,7-Diepicastanospermine', '1,6,7,8-tetrahydroxyoctahydroindolizine', 'CASTANOSPERMINE', 'castinospermine', '6,7-Diepicastanospermine', 'MLSMR', 'SMR002049012', '6-Epicastanospermine'
IUPAC Name: (1S,6R,7R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol
Structure
SMILES: O[C@H]1[C@H](O)[C@H](O)CN2CC[C@H](O)[C@H]12
InChI: InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5+,6+,7+,8+/m0/s1
InChIKey: JDVVGAQPNNXQDW-SLBCVNJHSA-N
Source
Properties Information
Molecule Weight: 189.211
TPSA？: 84.16
MolLogP？: -2.482099999999999
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Alpha-mannosidase 2C1 | IC50 | 1000000.0 | nM | 10.1021/jm00129a011 |
| None | Unchecked | Activity | nan | None | 10.1021/np50069a011 |
| None | Unchecked | Inhibition | 50.0 | % | 10.1021/np50069a011 |