(7S)-N-[3-chloro-2-(6-oxocyclohexen-1-yl)prop-2-enyl]-7-methoxytetradec-4-enamide
| Internal ID | 79fd1275-ba8d-49d4-b4c8-05d60b11cae8 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | (7S)-N-[3-chloro-2-(6-oxocyclohexen-1-yl)prop-2-enyl]-7-methoxytetradec-4-enamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H38ClNO3/c1-3-4-5-6-8-13-21(29-2)14-9-7-10-17-24(28)26-19-20(18-25)22-15-11-12-16-23(22)27/h7,9,15,18,21H,3-6,8,10-14,16-17,19H2,1-2H3,(H,26,28)/t21-/m0/s1 |
| InChI Key | MFDHYPQDDSVRFS-NRFANRHFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H38ClNO3 |
| Molecular Weight | 424.00 g/mol |
| Exact Mass | 423.2540218 g/mol |
| Topological Polar Surface Area (TPSA) | 55.40 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of (7S)-N-[3-chloro-2-(6-oxocyclohexen-1-yl)prop-2-enyl]-7-methoxytetradec-4-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/7s-n-3-chloro-2-6-oxocyclohexen-1-ylprop-2-enyl-7-methoxytetradec-4-enamide.jpg "2D Structure of (7S)-N-[3-chloro-2-(6-oxocyclohexen-1-yl)prop-2-enyl]-7-methoxytetradec-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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 99.47% | 89.63% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.43% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.40% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.84% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.54% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.84% | 96.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 91.37% | 92.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.35% | 95.56% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 88.34% | 96.25% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 87.90% | 95.71% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.61% | 89.34% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.01% | 83.82% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.36% | 97.29% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.38% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 85.16% | 91.81% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 84.94% | 90.24% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.18% | 92.88% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.49% | 90.71% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 83.28% | 86.67% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.98% | 94.73% |
| CHEMBL3238 | P23786 | Carnitine palmitoyltransferase 2 | 82.89% | 94.05% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.83% | 94.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.72% | 93.56% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.26% | 98.75% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.84% | 100.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.49% | 100.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 80.28% | 97.00% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 163086824 |
| LOTUS | LTS0077577 |
| wikiData | Q105162567 |