Methyl 2-(1-acetyloxyhexa-2,4-diynyl)-6-methoxybenzoate
| Internal ID | 0404ca60-4dcd-45d7-a062-ac9d75f6a0e7 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Methoxybenzoic acids and derivatives > O-methoxybenzoic acids and derivatives |
| IUPAC Name | methyl 2-(1-acetyloxyhexa-2,4-diynyl)-6-methoxybenzoate |
| SMILES (Canonical) | CC#CC#CC(C1=C(C(=CC=C1)OC)C(=O)OC)OC(=O)C |
| SMILES (Isomeric) | CC#CC#CC(C1=C(C(=CC=C1)OC)C(=O)OC)OC(=O)C |
| InChI | InChI=1S/C17H16O5/c1-5-6-7-10-14(22-12(2)18)13-9-8-11-15(20-3)16(13)17(19)21-4/h8-9,11,14H,1-4H3 |
| InChI Key | POWPHZIKCUDYIC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H16O5 |
| Molecular Weight | 300.30 g/mol |
| Exact Mass | 300.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 2.70 |
| ACon0_000920 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.75% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.85% | 98.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 91.85% | 90.20% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.03% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.36% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.34% | 86.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.71% | 95.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.71% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.45% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.57% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.49% | 97.21% |
| CHEMBL5028 | O14672 | ADAM10 | 82.20% | 97.50% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.51% | 85.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.05% | 93.56% |
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.
| Argyranthemum frutescens |
| PubChem | 10424861 |
| LOTUS | LTS0041685 |
| wikiData | Q105212724 |