[4-Methoxy-2,3-dimethyl-6-(3-methylnonadec-2-enyl)phenyl] acetate
| Internal ID | cea464b7-3ad8-4904-b7d8-c868e6ba9889 |
| Taxonomy | Benzenoids > Phenol esters |
| IUPAC Name | [4-methoxy-2,3-dimethyl-6-(3-methylnonadec-2-enyl)phenyl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H52O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(2)22-23-29-24-30(33-6)26(3)27(4)31(29)34-28(5)32/h22,24H,7-21,23H2,1-6H3 |
| InChI Key | JACGZFDJBGVEDW-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C31H52O3 |
| Molecular Weight | 472.70 g/mol |
| Exact Mass | 472.39164552 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 12.30 |
| There are no found synonyms. |
![2D Structure of [4-Methoxy-2,3-dimethyl-6-(3-methylnonadec-2-enyl)phenyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/4-methoxy-23-dimethyl-6-3-methylnonadec-2-enylphenyl-acetate.jpg "2D Structure of [4-Methoxy-2,3-dimethyl-6-(3-methylnonadec-2-enyl)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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.87% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 96.71% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.91% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.57% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.42% | 91.11% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.98% | 97.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.20% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.84% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.98% | 96.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.38% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.30% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.21% | 94.73% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.07% | 89.63% |
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 | 162890185 |
| LOTUS | LTS0085456 |
| wikiData | Q105123666 |