Calystegin B2
AlkaPlorer ID: AK007970
Synonym: '', 'Calystegine B3', 'Calystegine B2', 'Calystegin B2', '(+)-Calystegine B3', 'Calystegine B4'
IUPAC Name: (1R,2S,3S,4S,5S)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol
Structure
SMILES: O[C@@H]1[C@H](O)[C@H](O)[C@]2(O)CC[C@@H]1N2
InChI: InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3-,4-,5-,6-,7+/m0/s1
InChIKey: FXFBVZOJVHCEDO-AZEWMMITSA-N
Reference
Pyrrolizidine alkaloids of Ipomoea hederifolia and related species
PubChem CID: 154496293
LOTUS: LTS0206474
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mandragora autumnalis | Mandragora | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 175.18399999999997
TPSA？: 92.95
MolLogP？: -2.4767
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|