(1R,2S,3S,4S,5S)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol
| Internal ID | 404a2dd5-02da-41f4-8de2-db814e58dd51 |
| Taxonomy | Alkaloids and derivatives > Tropane alkaloids |
| IUPAC Name | (1R,2S,3S,4S,5S)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol |
| SMILES (Canonical) | C1CC2(C(C(C(C1N2)O)O)O)O |
| SMILES (Isomeric) | C1C[C@]2([C@H]([C@H]([C@H]([C@H]1N2)O)O)O)O |
| 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 |
| InChI Key | FXFBVZOJVHCEDO-AZEWMMITSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C7H13NO4 |
| Molecular Weight | 175.18 g/mol |
| Exact Mass | 175.08445790 g/mol |
| Topological Polar Surface Area (TPSA) | 93.00 Ų |
| XlogP | -2.40 |
| There are no found synonyms. |
![2D Structure of (1R,2S,3S,4S,5S)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol](https://plantaedb.com/storage/docs/compounds/2023/11/1r2s3s4s5s-8-azabicyclo321octane-1234-tetrol.jpg "2D Structure of (1R,2S,3S,4S,5S)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.79% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.98% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.85% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.52% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.39% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.91% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.19% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.40% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.79% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.57% | 92.94% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.33% | 90.08% |
| CHEMBL238 | Q01959 | Dopamine transporter | 80.51% | 95.88% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Ipomoea hederifolia |
| Mandragora officinarum |
| PubChem | 154496293 |
| LOTUS | LTS0206474 |
| wikiData | Q105003863 |