Calystegin A3
AlkaPlorer ID: AK019128
Synonym: 'Calystegin A3', 'Calystegine A3'
IUPAC Name: (1S,2R,3S,5S)-8-azabicyclo[3.2.1]octane-1,2,3-triol
Structure
SMILES: O[C@@H]1[C@@H](O)C[C@@H]2CC[C@@]1(O)N2
InChI: InChI=1S/C7H13NO3/c9-5-3-4-1-2-7(11,8-4)6(5)10/h4-6,8-11H,1-3H2/t4-,5-,6+,7-/m0/s1
InChIKey: XOCBOVUINUHZJA-YTLHQDLWSA-N
Reference
Calystegines in Solanum and Datura species and the death's-head hawk-moth (Acherontia atropus)
PubChem CID: 10464583
LOTUS: LTS0132654
SuperNatural Ⅲ: SN0435475-05
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acherontia atropos | Acherontia | Sphingidae | Lepidoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 159.18500000000003
TPSA？: 72.72
MolLogP？: -1.4475000000000005
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|