3-(2-Methylbutyryloxy)-tropane
| Internal ID | 90500060-9b4a-4238-8109-c1889b6db70c |
| Taxonomy | Alkaloids and derivatives > Tropane alkaloids |
| IUPAC Name | [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methylbutanoate |
| SMILES (Canonical) | CCC(C)C(=O)OC1CC2CCC(C1)N2C |
| SMILES (Isomeric) | CCC(C)C(=O)OC1C[C@H]2CC[C@@H](C1)N2C |
| InChI | InChI=1S/C13H23NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h9-12H,4-8H2,1-3H3/t9?,10-,11+,12? |
| InChI Key | OGQXAZJUVVPCRL-WSVSKBAQSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C13H23NO2 |
| Molecular Weight | 225.33 g/mol |
| Exact Mass | 225.172878976 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 2.70 |
| OGQXAZJUVVPCRL-KVMUQPTRSA-N |
| OGQXAZJUVVPCRL-WSVSKBAQSA-N |
| DTXSID701175128 |
| 3alpha-(2-methylbutyryloxy)tropane |
| 3.alpha.-(2-Methylbutyroxy)tropane |
| (3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 2-methylbutanoate |
| 23599-78-2 |
| 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 | 98.70% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.28% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.10% | 98.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.44% | 96.47% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.58% | 96.95% |
| CHEMBL238 | Q01959 | Dopamine transporter | 86.99% | 95.88% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.82% | 97.09% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.48% | 97.50% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 84.29% | 97.47% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 84.20% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.18% | 82.69% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.54% | 83.82% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.42% | 91.19% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.54% | 97.21% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 81.52% | 98.05% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.24% | 95.89% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.43% | 94.33% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.42% | 92.50% |
| CHEMBL4072 | P07858 | Cathepsin B | 80.33% | 93.67% |
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 stramonium |
| Erythroxylum monogynum |
| Erythroxylum zambesiacum |
| PubChem | 91750070 |
| LOTUS | LTS0134729 |
| wikiData | Q105191785 |