Elacomine
| Internal ID | a1f051ce-ffe5-456b-9c15-e130c1414e53 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | (2'S,3R)-6-hydroxy-2'-(2-methylpropyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one |
| SMILES (Canonical) | CC(C)CC1C2(CCN1)C3=C(C=C(C=C3)O)NC2=O |
| SMILES (Isomeric) | CC(C)C[C@H]1[C@@]2(CCN1)C3=C(C=C(C=C3)O)NC2=O |
| InChI | InChI=1S/C15H20N2O2/c1-9(2)7-13-15(5-6-16-13)11-4-3-10(18)8-12(11)17-14(15)19/h3-4,8-9,13,16,18H,5-7H2,1-2H3,(H,17,19)/t13-,15+/m0/s1 |
| InChI Key | HBHCBIIRYVIJGE-DZGCQCFKSA-N |
| Popularity | 10 references in papers |
| Molecular Formula | C15H20N2O2 |
| Molecular Weight | 260.33 g/mol |
| Exact Mass | 260.152477885 g/mol |
| Topological Polar Surface Area (TPSA) | 61.40 Ų |
| XlogP | 1.70 |
| SCHEMBL19317458 |
| (2'S,3R)-6-hydroxy-2'-(2-methylpropyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one |
| 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 | 97.32% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 96.80% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.79% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.35% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.21% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.83% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 93.19% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.69% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.82% | 95.56% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 91.40% | 90.93% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.26% | 99.15% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 86.78% | 85.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.35% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.21% | 90.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 83.73% | 93.18% |
| CHEMBL268 | P43235 | Cathepsin K | 81.82% | 96.85% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.61% | 98.75% |
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.
| Elaeagnus commutata |
| PubChem | 10989031 |
| LOTUS | LTS0077081 |
| wikiData | Q105025291 |