1-O-methyl 4-O-[8-methyl-6-(3-methylbut-2-enoyloxy)-8-azabicyclo[3.2.1]octan-3-yl] 2-methylidenebutanedioate
| Internal ID | dfce720d-83f8-42b0-b853-ba6d3c9ac611 |
| Taxonomy | Alkaloids and derivatives > Tropane alkaloids |
| IUPAC Name | 1-O-methyl 4-O-[8-methyl-6-(3-methylbut-2-enoyloxy)-8-azabicyclo[3.2.1]octan-3-yl] 2-methylidenebutanedioate |
| SMILES (Canonical) | CC(=CC(=O)OC1CC2CC(CC1N2C)OC(=O)CC(=C)C(=O)OC)C |
| SMILES (Isomeric) | CC(=CC(=O)OC1CC2CC(CC1N2C)OC(=O)CC(=C)C(=O)OC)C |
| InChI | InChI=1S/C19H27NO6/c1-11(2)6-17(21)26-16-9-13-8-14(10-15(16)20(13)4)25-18(22)7-12(3)19(23)24-5/h6,13-16H,3,7-10H2,1-2,4-5H3 |
| InChI Key | SVGZLNFUGDVZCD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H27NO6 |
| Molecular Weight | 365.40 g/mol |
| Exact Mass | 365.18383758 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 1-O-methyl 4-O-[8-methyl-6-(3-methylbut-2-enoyloxy)-8-azabicyclo[3.2.1]octan-3-yl] 2-methylidenebutanedioate](https://plantaedb.com/storage/docs/compounds/2023/11/94825770-85e7-11ee-8b0e-09b636b1921a.jpg "2D Structure of 1-O-methyl 4-O-[8-methyl-6-(3-methylbut-2-enoyloxy)-8-azabicyclo[3.2.1]octan-3-yl] 2-methylidenebutanedioate")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.05% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.17% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 92.67% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.20% | 96.95% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.40% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.37% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.53% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.20% | 91.11% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.31% | 94.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.93% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.39% | 99.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.86% | 96.47% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.03% | 96.00% |
| CHEMBL5028 | O14672 | ADAM10 | 81.02% | 97.50% |
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.
| Schizanthus tricolor |
| PubChem | 75215447 |
| LOTUS | LTS0093953 |
| wikiData | Q105261980 |