Bao gong teng A
| Internal ID | d50b19f7-68b8-48e0-90f3-466d3c80c0f1 |
| Taxonomy | Alkaloids and derivatives > Tropane alkaloids |
| IUPAC Name | [(1R,2S,5R,6S)-2-hydroxy-8-azabicyclo[3.2.1]octan-6-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1CC2C(CCC1N2)O |
| SMILES (Isomeric) | CC(=O)O[C@H]1C[C@@H]2[C@H](CC[C@H]1N2)O |
| InChI | InChI=1S/C9H15NO3/c1-5(11)13-9-4-7-8(12)3-2-6(9)10-7/h6-10,12H,2-4H2,1H3/t6-,7-,8+,9+/m1/s1 |
| InChI Key | FSXBMHMVOFJROW-HXFLIBJXSA-N |
| Popularity | 15 references in papers |
| Molecular Formula | C9H15NO3 |
| Molecular Weight | 185.22 g/mol |
| Exact Mass | 185.10519334 g/mol |
| Topological Polar Surface Area (TPSA) | 58.60 Ų |
| XlogP | -0.10 |
| Baogongteng a |
| 74239-84-2 |
| [(1R,2S,5R,6S)-2-hydroxy-8-azabicyclo[3.2.1]octan-6-yl] acetate |
| Erycibe alkaloid II |
| BGT-A |
| DTXSID30995718 |
| GLXC-18494 |
| AKOS040734424 |
| 2-hydroxy-8-azabicyclo[3.2.1]octan-6-yl acetate |
| 8-Azabicyclo(3.2.1)octane-3,6-diol, 6-acetate, (exo,exo)-(-)- |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.41% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.60% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.48% | 91.19% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.80% | 85.14% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.43% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.41% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.27% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.40% | 91.11% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.72% | 97.21% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.29% | 94.33% |
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.
| Erycibe obtusifolia |
| PubChem | 156282 |
| LOTUS | LTS0138158 |
| wikiData | Q82987295 |