methyl (2Z,4E)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpenta-2,4-dienoate
| Internal ID | 569df23c-1431-4b91-ac21-c04d25881bd6 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | methyl (2Z,4E)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpenta-2,4-dienoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H24O2/c1-12(11-15(17)18-5)8-9-14-13(2)7-6-10-16(14,3)4/h8-9,11,14H,2,6-7,10H2,1,3-5H3/b9-8+,12-11-/t14-/m0/s1 |
| InChI Key | TYRVLSBKPUMSQP-WWUGDVMJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H24O2 |
| Molecular Weight | 248.36 g/mol |
| Exact Mass | 248.177630004 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of methyl (2Z,4E)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpenta-2,4-dienoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-2z4e-5-1r-22-dimethyl-6-methylidenecyclohexyl-3-methylpenta-24-dienoate.jpg "2D Structure of methyl (2Z,4E)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpenta-2,4-dienoate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.43% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.78% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.96% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.01% | 91.19% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 84.81% | 91.67% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.04% | 90.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.57% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.49% | 94.45% |
| CHEMBL1870 | P28702 | Retinoid X receptor beta | 83.09% | 95.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.84% | 95.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.41% | 91.07% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.60% | 93.03% |
| CHEMBL5028 | O14672 | ADAM10 | 80.34% | 97.50% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.29% | 95.71% |
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 | 101074696 |
| LOTUS | LTS0208225 |
| wikiData | Q105267701 |