[4-Acetyloxy-2-methyl-5-(6-methylhept-5-en-2-yl)phenyl] acetate
| Internal ID | 53a8429f-93e1-4083-b298-6b5f4ab8a725 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [4-acetyloxy-2-methyl-5-(6-methylhept-5-en-2-yl)phenyl] acetate |
| SMILES (Canonical) | CC1=CC(=C(C=C1OC(=O)C)C(C)CCC=C(C)C)OC(=O)C |
| SMILES (Isomeric) | CC1=CC(=C(C=C1OC(=O)C)C(C)CCC=C(C)C)OC(=O)C |
| InChI | InChI=1S/C19H26O4/c1-12(2)8-7-9-13(3)17-11-18(22-15(5)20)14(4)10-19(17)23-16(6)21/h8,10-11,13H,7,9H2,1-6H3 |
| InChI Key | QHQLJNNOZQRCRD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H26O4 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of [4-Acetyloxy-2-methyl-5-(6-methylhept-5-en-2-yl)phenyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/4-acetyloxy-2-methyl-5-6-methylhept-5-en-2-ylphenyl-acetate.jpg "2D Structure of [4-Acetyloxy-2-methyl-5-(6-methylhept-5-en-2-yl)phenyl] 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 | 95.03% | 98.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 92.00% | 97.21% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.94% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.62% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.04% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.76% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.66% | 96.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.28% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.77% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.51% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.03% | 90.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.22% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.86% | 86.33% |
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 | 73171613 |
| LOTUS | LTS0128803 |
| wikiData | Q105221083 |