Calystegin B2
AlkaPlorer ID: AK007967
Synonym: '', 'Calystegine B3', 'Calystegine B2', 'Calystegin B2', '(+)-Calystegine B3', 'Calystegine B4'
IUPAC Name: (1S,2S,3S,4R,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-REQIZBSHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Morus alba | Morus | Moraceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Morus bombycis | Morus | Moraceae | Rosales | 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 |
|---|---|---|---|---|---|
| Agrobacterium rhizogenes | Agrobacterium rhizogenes | Activity | nan | None | 10.1021/np960409v |
| Agrobacterium tumefaciens | Agrobacterium tumefaciens | Activity | nan | None | 10.1021/np960409v |
| Medicago sativa | Medicago sativa | Activity | 8.0 | % | 10.1021/np960409v |
| Medicago sativa | Medicago sativa | Activity | 18.0 | % | 10.1021/np960409v |
| Medicago sativa | Medicago sativa | Activity | 20.0 | % | 10.1021/np960409v |
| Medicago sativa | Medicago sativa | Activity | 25.0 | % | 10.1021/np960409v |
| Medicago sativa | Medicago sativa | Activity | nan | None | 10.1021/np960409v |
| Sinorhizobium meliloti | Sinorhizobium meliloti | Activity | nan | None | 10.1021/np960409v |
| None | Unchecked | Activity | nan | None | 10.1021/np960409v |