Calystegin A3
AlkaPlorer ID: AK019127
Synonym: 'Calystegin A3', 'Calystegine A3'
IUPAC Name: (1R,2S,3S,5R)-8-azabicyclo[3.2.1]octane-1,2,3-triol
Structure
SMILES: O[C@H]1C[C@H]2CC[C@](O)(N2)[C@H]1O
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-/m1/s1
InChIKey: XOCBOVUINUHZJA-JRTVQGFMSA-N
Reference
Pyrrolizidine alkaloids of Ipomoea hederifolia and related species
PubChem CID: 14608506
LOTUS: LTS0033551
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mandragora autumnalis | Mandragora | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 159.185
TPSA？: 72.72
MolLogP？: -1.447500000000001
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|