[2-Methyl-6-(4-methyl-2-oxocyclohex-3-en-1-yl)hept-2-enyl] acetate
| Internal ID | 828a50a3-df80-4816-baa4-02bdae0a7bf6 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [2-methyl-6-(4-methyl-2-oxocyclohex-3-en-1-yl)hept-2-enyl] acetate |
| SMILES (Canonical) | CC1=CC(=O)C(CC1)C(C)CCC=C(C)COC(=O)C |
| SMILES (Isomeric) | CC1=CC(=O)C(CC1)C(C)CCC=C(C)COC(=O)C |
| InChI | InChI=1S/C17H26O3/c1-12-8-9-16(17(19)10-12)14(3)7-5-6-13(2)11-20-15(4)18/h6,10,14,16H,5,7-9,11H2,1-4H3 |
| InChI Key | LBPHJZYAXMUWEP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H26O3 |
| Molecular Weight | 278.40 g/mol |
| Exact Mass | 278.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of [2-Methyl-6-(4-methyl-2-oxocyclohex-3-en-1-yl)hept-2-enyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2-methyl-6-4-methyl-2-oxocyclohex-3-en-1-ylhept-2-enyl-acetate.jpg "2D Structure of [2-Methyl-6-(4-methyl-2-oxocyclohex-3-en-1-yl)hept-2-enyl] 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 | 98.00% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.37% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.92% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.86% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.83% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.46% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.13% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.91% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.44% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.94% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.84% | 93.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.62% | 96.47% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.54% | 94.33% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.20% | 96.38% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 84.17% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.08% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.81% | 93.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.68% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.53% | 86.33% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 83.27% | 97.47% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.10% | 85.14% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 83.09% | 98.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.16% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.89% | 96.00% |
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.
| Senecio smithii |
| PubChem | 163013067 |
| LOTUS | LTS0226095 |
| wikiData | Q105149521 |