Cylindricine E
| Internal ID | 95237dee-f1ae-4a6c-ae8b-3b2be495fa07 |
| Taxonomy | Organoheterocyclic compounds > Azaspirodecane derivatives |
| IUPAC Name | [(3R,5S,7aR,11aR)-5-hexyl-7-oxo-1,2,3,5,6,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-3-yl]methyl acetate |
| SMILES (Canonical) | CCCCCCC1CC(=O)C2CCCCC23N1C(CC3)COC(=O)C |
| SMILES (Isomeric) | CCCCCC[C@H]1CC(=O)[C@@H]2CCCC[C@]23N1[C@H](CC3)COC(=O)C |
| InChI | InChI=1S/C21H35NO3/c1-3-4-5-6-9-17-14-20(24)19-10-7-8-12-21(19)13-11-18(22(17)21)15-25-16(2)23/h17-19H,3-15H2,1-2H3/t17-,18+,19-,21+/m0/s1 |
| InChI Key | WENCIPPGJFUDAM-YOUFYPILSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H35NO3 |
| Molecular Weight | 349.50 g/mol |
| Exact Mass | 349.26169398 g/mol |
| Topological Polar Surface Area (TPSA) | 46.60 Ų |
| XlogP | 4.40 |
| [(3R,5S,7Ar,11aR)-5-hexyl-7-oxo-1,2,3,5,6,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-3-yl]methyl acetate |
| 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 | 99.34% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.34% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.20% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.80% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.70% | 94.45% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 93.69% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 92.39% | 91.81% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 90.59% | 93.04% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 90.51% | 92.50% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.90% | 89.63% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 89.44% | 98.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.14% | 91.11% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.54% | 95.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.60% | 93.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 85.65% | 97.50% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.68% | 92.86% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.48% | 91.19% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.30% | 96.95% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.26% | 97.05% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.20% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.82% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.76% | 90.17% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 82.72% | 92.97% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.53% | 82.69% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.80% | 93.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 81.53% | 97.64% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.22% | 100.00% |
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.
| Eucalyptus grandis |
| PubChem | 10861048 |
| LOTUS | LTS0235920 |
| wikiData | Q105224962 |