(E,2R)-1-(2,3-dihydropyrrol-1-yl)-2-methyldec-8-ene-1,3-dione
| Internal ID | ae99edfd-530a-4323-b7de-997a5ab2ec21 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > 1,3-dicarbonyl compounds |
| IUPAC Name | (E,2R)-1-(2,3-dihydropyrrol-1-yl)-2-methyldec-8-ene-1,3-dione |
| SMILES (Canonical) | CC=CCCCCC(=O)C(C)C(=O)N1CCC=C1 |
| SMILES (Isomeric) | C/C=C/CCCCC(=O)[C@@H](C)C(=O)N1CCC=C1 |
| InChI | InChI=1S/C15H23NO2/c1-3-4-5-6-7-10-14(17)13(2)15(18)16-11-8-9-12-16/h3-4,8,11,13H,5-7,9-10,12H2,1-2H3/b4-3+/t13-/m1/s1 |
| InChI Key | JGNMZTXDOHXIJQ-ITDFMYJTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H23NO2 |
| Molecular Weight | 249.35 g/mol |
| Exact Mass | 249.172878976 g/mol |
| Topological Polar Surface Area (TPSA) | 37.40 Ų |
| XlogP | 2.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.07% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.14% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.16% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.36% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.78% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.14% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.13% | 97.21% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.24% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.59% | 95.56% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.45% | 98.33% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.80% | 94.33% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.36% | 96.47% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.04% | 94.66% |
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 | 163025036 |
| LOTUS | LTS0129365 |
| wikiData | Q105127553 |