Pseudotropinium
| Internal ID | 9682c135-581e-409f-8299-af6174f0a5c5 |
| Taxonomy | Alkaloids and derivatives > Tropane alkaloids |
| IUPAC Name | (1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol |
| SMILES (Canonical) | C[NH+]1C2CCC1CC(C2)O |
| SMILES (Isomeric) | C[NH+]1[C@@H]2CC[C@H]1CC(C2)O |
| InChI | InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/p+1/t6-,7+,8? |
| InChI Key | CYHOMWAPJJPNMW-DHBOJHSNSA-O |
| Popularity | 7 references in papers |
| Molecular Formula | C8H16NO+ |
| Molecular Weight | 142.22 g/mol |
| Exact Mass | 142.123189134 g/mol |
| Topological Polar Surface Area (TPSA) | 24.70 Ų |
| XlogP | 0.80 |
| tropinium |
| (1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol |
| EINECS 205-226-5 |
| NSC 43871 |
| 1-alpha H,5-alpha H-tropan-3beta-ol |
| BRN 0080189 |
| beta -Tropine |
| CHEBI:57493 |
| CHEBI:57554 |
| A807009 |
| 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 | 89.58% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.69% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.18% | 83.82% |
| CHEMBL1968 | P07099 | Epoxide hydrolase 1 | 84.05% | 98.57% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 82.53% | 95.58% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.41% | 95.93% |
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.
| Datura metel |
| Strychnos nux-vomica |