(2R,4aR,5S,7S,7aS)-2-Allyl-5-ethyl-7-propyldecahydropyrrolo[2,1,5-cd]indolizine
| Internal ID | 9d9f3071-b611-4ab1-a394-e447694e0160 |
| Taxonomy | Organoheterocyclic compounds > Indolizidines |
| IUPAC Name | 8-ethyl-3-prop-2-enyl-10-propyl-11-azatricyclo[5.3.1.04,11]undecane |
| SMILES (Canonical) | CCCC1CC(C2CCC3N2C1CC3CC=C)CC |
| SMILES (Isomeric) | CCCC1CC(C2CCC3N2C1CC3CC=C)CC |
| InChI | InChI=1S/C18H31N/c1-4-7-14-11-13(6-3)16-9-10-17-15(8-5-2)12-18(14)19(16)17/h5,13-18H,2,4,6-12H2,1,3H3 |
| InChI Key | PQFMGMYNYSDPDW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H31N |
| Molecular Weight | 261.40 g/mol |
| Exact Mass | 261.245649993 g/mol |
| Topological Polar Surface Area (TPSA) | 3.20 Ų |
| XlogP | 5.40 |
| PQFMGMYNYSDPDW-UHFFFAOYSA-N |
| (2R,4aR,5S,7S,7aS)-2-Allyl-5-ethyl-7-propyldecahydropyrrolo[2,1,5-cd]indolizine |
![2D Structure of (2R,4aR,5S,7S,7aS)-2-Allyl-5-ethyl-7-propyldecahydropyrrolo[2,1,5-cd]indolizine](https://plantaedb.com/storage/docs/compounds/2023/11/2r4ar5s7s7as-2-allyl-5-ethyl-7-propyldecahydropyrrolo215-cdindolizine.jpg "2D Structure of (2R,4aR,5S,7S,7aS)-2-Allyl-5-ethyl-7-propyldecahydropyrrolo[2,1,5-cd]indolizine")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.06% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.46% | 96.09% |
| CHEMBL228 | P31645 | Serotonin transporter | 91.01% | 95.51% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.08% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.92% | 98.95% |
| CHEMBL238 | Q01959 | Dopamine transporter | 86.30% | 95.88% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 83.66% | 95.58% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.36% | 97.05% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.28% | 90.17% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 82.67% | 86.67% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.92% | 90.24% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.39% | 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.
| Hunteria zeylanica |
| PubChem | 73176078 |
| LOTUS | LTS0106708 |
| wikiData | Q104993385 |