[(1R)-3-[(E)-1-chloro-3-[[(E,7S)-7-methoxytetradec-4-enoyl]amino]prop-1-en-2-yl]-2-oxocyclohex-3-en-1-yl] acetate
| Internal ID | ea297bdf-60a6-4339-a552-f50e689f1496 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | [(1R)-3-[(E)-1-chloro-3-[[(E,7S)-7-methoxytetradec-4-enoyl]amino]prop-1-en-2-yl]-2-oxocyclohex-3-en-1-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H40ClNO5/c1-4-5-6-7-9-13-22(32-3)14-10-8-11-17-25(30)28-19-21(18-27)23-15-12-16-24(26(23)31)33-20(2)29/h8,10,15,18,22,24H,4-7,9,11-14,16-17,19H2,1-3H3,(H,28,30)/b10-8+,21-18-/t22-,24+/m0/s1 |
| InChI Key | GNKNIPRNBZCJGO-KHCJTUSTSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H40ClNO5 |
| Molecular Weight | 482.00 g/mol |
| Exact Mass | 481.2595011 g/mol |
| Topological Polar Surface Area (TPSA) | 81.70 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of [(1R)-3-[(E)-1-chloro-3-[[(E,7S)-7-methoxytetradec-4-enoyl]amino]prop-1-en-2-yl]-2-oxocyclohex-3-en-1-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/8d0d2bf0-85c0-11ee-8e80-f954999dac20.jpg "2D Structure of [(1R)-3-[(E)-1-chloro-3-[[(E,7S)-7-methoxytetradec-4-enoyl]amino]prop-1-en-2-yl]-2-oxocyclohex-3-en-1-yl] 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.61% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.28% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.73% | 99.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.47% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.06% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.03% | 94.45% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 93.94% | 92.50% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.09% | 97.29% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.44% | 89.63% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 88.24% | 86.67% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.23% | 89.34% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 88.13% | 92.88% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.74% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.79% | 94.33% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 86.33% | 96.25% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.64% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.42% | 90.08% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.27% | 97.21% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.44% | 97.79% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 83.44% | 94.66% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.27% | 93.56% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.84% | 95.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.52% | 97.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.34% | 94.80% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 82.17% | 91.81% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.80% | 91.19% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.47% | 94.73% |
| CHEMBL4805 | Q99572 | P2X purinoceptor 7 | 80.82% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.18% | 89.00% |
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.
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| There are no matching plants. |
| PubChem | 162909176 |
| LOTUS | LTS0134314 |
| wikiData | Q105012662 |