N-[2-(chloromethylidene)-4-methoxy-6-(2-methyl-5-oxo-2H-pyrrol-1-yl)-6-oxohex-4-enyl]-6,6-dimethylheptanamide
| Internal ID | d98221a3-94b4-4935-8fe4-a57d54240fe7 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines |
| IUPAC Name | N-[2-(chloromethylidene)-4-methoxy-6-(2-methyl-5-oxo-2H-pyrrol-1-yl)-6-oxohex-4-enyl]-6,6-dimethylheptanamide |
| SMILES (Canonical) | CC1C=CC(=O)N1C(=O)C=C(CC(=CCl)CNC(=O)CCCCC(C)(C)C)OC |
| SMILES (Isomeric) | CC1C=CC(=O)N1C(=O)C=C(CC(=CCl)CNC(=O)CCCCC(C)(C)C)OC |
| InChI | InChI=1S/C22H33ClN2O4/c1-16-9-10-20(27)25(16)21(28)13-18(29-5)12-17(14-23)15-24-19(26)8-6-7-11-22(2,3)4/h9-10,13-14,16H,6-8,11-12,15H2,1-5H3,(H,24,26) |
| InChI Key | XXFDGELVIZKSQK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H33ClN2O4 |
| Molecular Weight | 425.00 g/mol |
| Exact Mass | 424.2128852 g/mol |
| Topological Polar Surface Area (TPSA) | 75.70 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of N-[2-(chloromethylidene)-4-methoxy-6-(2-methyl-5-oxo-2H-pyrrol-1-yl)-6-oxohex-4-enyl]-6,6-dimethylheptanamide](https://plantaedb.com/storage/docs/compounds/2023/11/622dca30-82ec-11ee-9bd5-450bfa8a768e.jpg "2D Structure of N-[2-(chloromethylidene)-4-methoxy-6-(2-methyl-5-oxo-2H-pyrrol-1-yl)-6-oxohex-4-enyl]-6,6-dimethylheptanamide")
| 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 | 98.04% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.71% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.32% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.37% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.81% | 91.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.23% | 89.34% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.98% | 90.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.22% | 97.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.08% | 86.33% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 86.57% | 96.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.09% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.90% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.39% | 97.14% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.52% | 96.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.61% | 97.25% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162815699 |
| LOTUS | LTS0088912 |
| wikiData | Q104201422 |