Tigloyl pseudotropine; Tiglylpseudotropine; Tiglyssin
| Internal ID | 7da518fd-ea3a-48eb-ac54-19f1fbe73d2d |
| Taxonomy | Alkaloids and derivatives > Tropane alkaloids |
| IUPAC Name | (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1CC2CCC(C1)N2C |
| SMILES (Isomeric) | CC=C(C)C(=O)OC1CC2CCC(C1)N2C |
| InChI | InChI=1S/C13H21NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h4,10-12H,5-8H2,1-3H3 |
| InChI Key | UVHGSMZRSVGWDJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H21NO2 |
| Molecular Weight | 223.31 g/mol |
| Exact Mass | 223.157228913 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 2.50 |
| Tigloyl pseudotropine; Tiglylpseudotropine; Tiglyssin |
| DTXSID90862038 |
| 8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-methylbut-2-enoate |
| 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 | 96.62% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.73% | 91.19% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 90.21% | 95.69% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.97% | 97.25% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 89.01% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.88% | 97.21% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 85.68% | 97.53% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 84.94% | 97.47% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.43% | 98.95% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.15% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.92% | 95.89% |
| CHEMBL238 | Q01959 | Dopamine transporter | 80.48% | 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.
| Brugmansia sanguinea |
| Datura innoxia |
| Nierembergia linariifolia |
| Physalis lagascae |
| Physalis peruviana |
| Solandra guttata |
| PubChem | 443011 |
| LOTUS | LTS0124726 |
| wikiData | Q105279859 |