Tropanserin
Internal ID | 263c8fe8-c889-44f7-b8a8-aeef7260241d |
Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzoic acid esters |
IUPAC Name | [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-dimethylbenzoate |
SMILES (Canonical) | CC1=CC(=CC(=C1)C(=O)OC2CC3CCC(C2)N3C)C |
SMILES (Isomeric) | CC1=CC(=CC(=C1)C(=O)OC2C[C@H]3CC[C@@H](C2)N3C)C |
InChI | InChI=1S/C17H23NO2/c1-11-6-12(2)8-13(7-11)17(19)20-16-9-14-4-5-15(10-16)18(14)3/h6-8,14-16H,4-5,9-10H2,1-3H3/t14-,15+,16? |
InChI Key | HDDNYFLPWFSBLN-XYPWUTKMSA-N |
Popularity | 4 references in papers |
Molecular Formula | C17H23NO2 |
Molecular Weight | 273.37 g/mol |
Exact Mass | 273.172878976 g/mol |
Topological Polar Surface Area (TPSA) | 29.50 Ų |
XlogP | 3.70 |
85181-40-4 |
Tropanserine |
Tropyl 3,5-dimethylbenzoate |
Tropanserina |
Tropanserinum |
tropanyl 3,5-dimethylbenzoate |
04B48I6VHR |
DTXSID0042618 |
CHEBI:64142 |
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-dimethylbenzoate |
There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of Tropanserin 2D Structure of Tropanserin](https://plantaedb.com/storage/docs/compounds/2023/11/tropanserin.jpg)
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 | 95.83% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 93.03% | 98.95% |
CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 92.12% | 100.00% |
CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 90.97% | 97.53% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.93% | 97.21% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.88% | 91.19% |
CHEMBL4208 | P20618 | Proteasome component C5 | 88.59% | 90.00% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.47% | 96.95% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.94% | 97.09% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.86% | 95.89% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.69% | 95.56% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.24% | 99.17% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.24% | 86.33% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 82.67% | 91.49% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.65% | 89.00% |
CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.82% | 90.24% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.40% | 95.89% |
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.
PubChem | 68600 |
LOTUS | LTS0197777 |
wikiData | Q105109443 |