(5S,6R,8R,8aS)-5-butyl-6,8-diethyl-1,2,3,5,6,7,8,8a-octahydroindolizine
| Internal ID | 893cf0fc-c439-4a66-b071-df1efc32a5ca |
| Taxonomy | Organoheterocyclic compounds > Indolizidines |
| IUPAC Name | (5S,6R,8R,8aS)-5-butyl-6,8-diethyl-1,2,3,5,6,7,8,8a-octahydroindolizine |
| SMILES (Canonical) | CCCCC1C(CC(C2N1CCC2)CC)CC |
| SMILES (Isomeric) | CCCC[C@H]1[C@@H](C[C@H]([C@H]2N1CCC2)CC)CC |
| InChI | InChI=1S/C16H31N/c1-4-7-9-15-13(5-2)12-14(6-3)16-10-8-11-17(15)16/h13-16H,4-12H2,1-3H3/t13-,14-,15+,16+/m1/s1 |
| InChI Key | FGFYXTGPWYOCEB-WCVJEAGWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H31N |
| Molecular Weight | 237.42 g/mol |
| Exact Mass | 237.245649993 g/mol |
| Topological Polar Surface Area (TPSA) | 3.20 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
| 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 | 97.47% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.41% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.66% | 96.09% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 93.91% | 91.76% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.73% | 97.09% |
| CHEMBL240 | Q12809 | HERG | 90.24% | 89.76% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 89.98% | 99.18% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.93% | 95.50% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 86.05% | 95.58% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 85.62% | 91.81% |
| CHEMBL228 | P31645 | Serotonin transporter | 85.50% | 95.51% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.62% | 82.38% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 83.93% | 98.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.75% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.68% | 95.93% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 83.18% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.02% | 95.89% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.98% | 90.24% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.96% | 93.56% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.79% | 97.50% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.22% | 96.43% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.17% | 97.79% |
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.
| There are no matching plants. |
| PubChem | 162913556 |
| LOTUS | LTS0135146 |
| wikiData | Q104994874 |