N-[3-chloro-2-(2,3,5-trihydroxy-2-methyl-6-oxocyclohexyl)prop-2-enyl]-7-methoxytetradec-4-enamide
| Internal ID | 01eef3da-5328-441f-9e86-f76e3c500f3b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Monocyclic monoterpenoids |
| IUPAC Name | N-[3-chloro-2-(2,3,5-trihydroxy-2-methyl-6-oxocyclohexyl)prop-2-enyl]-7-methoxytetradec-4-enamide |
| SMILES (Canonical) | CCCCCCCC(CC=CCCC(=O)NCC(=CCl)C1C(=O)C(CC(C1(C)O)O)O)OC |
| SMILES (Isomeric) | CCCCCCCC(CC=CCCC(=O)NCC(=CCl)C1C(=O)C(CC(C1(C)O)O)O)OC |
| InChI | InChI=1S/C25H42ClNO6/c1-4-5-6-7-9-12-19(33-3)13-10-8-11-14-22(30)27-17-18(16-26)23-24(31)20(28)15-21(29)25(23,2)32/h8,10,16,19-21,23,28-29,32H,4-7,9,11-15,17H2,1-3H3,(H,27,30) |
| InChI Key | OEGLIHPBLJQCGW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H42ClNO6 |
| Molecular Weight | 488.10 g/mol |
| Exact Mass | 487.2700658 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of N-[3-chloro-2-(2,3,5-trihydroxy-2-methyl-6-oxocyclohexyl)prop-2-enyl]-7-methoxytetradec-4-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-3-chloro-2-235-trihydroxy-2-methyl-6-oxocyclohexylprop-2-enyl-7-methoxytetradec-4-enamide.jpg "2D Structure of N-[3-chloro-2-(2,3,5-trihydroxy-2-methyl-6-oxocyclohexyl)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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.96% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.12% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.06% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.76% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.91% | 91.11% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 93.29% | 95.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.58% | 96.95% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 92.53% | 92.86% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 91.87% | 89.34% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.32% | 97.29% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 90.63% | 95.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 90.59% | 92.50% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 89.71% | 98.03% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.54% | 97.79% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.70% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.70% | 91.19% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 86.67% | 92.88% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 86.12% | 96.25% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.25% | 94.33% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.14% | 89.63% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.97% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.69% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.29% | 82.69% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.25% | 90.08% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.02% | 96.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 82.54% | 91.81% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.53% | 95.56% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.47% | 96.90% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.38% | 97.21% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 82.22% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.11% | 99.23% |
| CHEMBL4805 | Q99572 | P2X purinoceptor 7 | 81.90% | 97.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.66% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.30% | 90.17% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.09% | 95.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.02% | 90.71% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 80.15% | 86.67% |
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 | 75597525 |
| LOTUS | LTS0084528 |
| wikiData | Q105190254 |