butyl 5-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylamino]-5-oxopentanoate
| Internal ID | 748323c2-a16f-43a1-8cce-2d97223e16aa |
| Taxonomy | Organoheterocyclic compounds > Quinolizines |
| IUPAC Name | butyl 5-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylamino]-5-oxopentanoate |
| SMILES (Canonical) | CCCCOC(=O)CCCC(=O)NCC1CCCN2C1CCCC2 |
| SMILES (Isomeric) | CCCCOC(=O)CCCC(=O)NC[C@H]1CCCN2[C@@H]1CCCC2 |
| InChI | InChI=1S/C19H34N2O3/c1-2-3-14-24-19(23)11-6-10-18(22)20-15-16-8-7-13-21-12-5-4-9-17(16)21/h16-17H,2-15H2,1H3,(H,20,22)/t16-,17-/m1/s1 |
| InChI Key | CWJHHOQFXOOROL-IAGOWNOFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H34N2O3 |
| Molecular Weight | 338.50 g/mol |
| Exact Mass | 338.25694295 g/mol |
| Topological Polar Surface Area (TPSA) | 58.60 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of butyl 5-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylamino]-5-oxopentanoate](https://plantaedb.com/storage/docs/compounds/2023/11/butyl-5-1r9ar-23467899a-octahydro-1h-quinolizin-1-ylmethylamino-5-oxopentanoate.jpg "2D Structure of butyl 5-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylamino]-5-oxopentanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.32% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.31% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.93% | 89.63% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 91.88% | 92.50% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.74% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.64% | 99.17% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 90.20% | 96.25% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.67% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.00% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.40% | 97.09% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.73% | 94.33% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.15% | 91.81% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 85.80% | 96.00% |
| CHEMBL1968 | P07099 | Epoxide hydrolase 1 | 85.50% | 98.57% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.09% | 100.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.57% | 97.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.29% | 82.69% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.80% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.60% | 91.19% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.24% | 93.56% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 82.98% | 98.24% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 82.95% | 95.27% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.90% | 94.00% |
| CHEMBL4608 | P33032 | Melanocortin receptor 5 | 82.16% | 97.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.90% | 100.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 81.85% | 97.64% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.69% | 83.82% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.65% | 98.33% |
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.
| Sophora alopecuroides |
| PubChem | 163049142 |
| LOTUS | LTS0203998 |
| wikiData | Q104971315 |