Calystegine N1
AlkaPlorer ID: AK019252
Synonym: ''
IUPAC Name: (1S,2R,3R,4S,5R)-1-amino-8-azabicyclo[3.2.1]octane-2,3,4-triol
Structure
SMILES: N[C@@]12CC[C@@H](N1)[C@H](O)[C@@H](O)[C@@H]2O
InChI: InChI=1S/C7H14N2O3/c8-7-2-1-3(9-7)4(10)5(11)6(7)12/h3-6,9-12H,1-2,8H2/t3-,4+,5-,6+,7+/m1/s1
InChIKey: KBZOEWOSIUJWIO-UOYQFSTFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hyoscyamus albus | Hyoscyamus | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 174.2
TPSA？: 98.74
MolLogP？: -2.510299999999998
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|