(E,7R)-N-[(2R)-2-[(1R,6S)-6-hydroxy-3-methyl-2-oxocyclohex-3-en-1-yl]-2-methoxyethyl]-7-methoxydodec-4-enamide
| Internal ID | 1cce2f58-cf69-47b7-ac84-ab99afa311de |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | (E,7R)-N-[(2R)-2-[(1R,6S)-6-hydroxy-3-methyl-2-oxocyclohex-3-en-1-yl]-2-methoxyethyl]-7-methoxydodec-4-enamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H39NO5/c1-5-6-8-11-18(28-3)12-9-7-10-13-21(26)24-16-20(29-4)22-19(25)15-14-17(2)23(22)27/h7,9,14,18-20,22,25H,5-6,8,10-13,15-16H2,1-4H3,(H,24,26)/b9-7+/t18-,19+,20+,22-/m1/s1 |
| InChI Key | CERISUFCIISKED-OKLDCXMISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H39NO5 |
| Molecular Weight | 409.60 g/mol |
| Exact Mass | 409.28282334 g/mol |
| Topological Polar Surface Area (TPSA) | 84.90 Ų |
| XlogP | 3.00 |
| (E,7R)-N-[(2R)-2-[(1R,6S)-6-hydroxy-3-methyl-2-oxocyclohex-3-en-1-yl]-2-methoxyethyl]-7-methoxydodec-4-enamide |
![2D Structure of (E,7R)-N-[(2R)-2-[(1R,6S)-6-hydroxy-3-methyl-2-oxocyclohex-3-en-1-yl]-2-methoxyethyl]-7-methoxydodec-4-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/26282630-87bb-11ee-a770-7daf8940758d.jpg "2D Structure of (E,7R)-N-[(2R)-2-[(1R,6S)-6-hydroxy-3-methyl-2-oxocyclohex-3-en-1-yl]-2-methoxyethyl]-7-methoxydodec-4-enamide")
| 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 | 98.48% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.94% | 99.17% |
| CHEMBL240 | Q12809 | HERG | 94.74% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.24% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.05% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.88% | 96.61% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.29% | 97.29% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 93.02% | 97.21% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.69% | 90.71% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.20% | 89.63% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 89.96% | 92.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.31% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.12% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.84% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.92% | 99.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.04% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.93% | 100.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.53% | 96.90% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.26% | 91.19% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.29% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.12% | 97.09% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.88% | 94.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.63% | 95.50% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 81.40% | 85.31% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.21% | 97.25% |
| CHEMBL4805 | Q99572 | P2X purinoceptor 7 | 80.69% | 97.50% |
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 | 139583225 |
| LOTUS | LTS0073551 |
| wikiData | Q75057326 |