3-[4-[2-Acetyloxy-5-(3-acetyloxyprop-1-enyl)-3-methoxyphenoxy]-3-methoxyphenyl]prop-2-enyl acetate
| Internal ID | 29eded7b-61cc-49bb-b8e6-34d57bc64ee8 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Diphenylethers |
| IUPAC Name | 3-[4-[2-acetyloxy-5-(3-acetyloxyprop-1-enyl)-3-methoxyphenoxy]-3-methoxyphenyl]prop-2-enyl acetate |
| SMILES (Canonical) | CC(=O)OCC=CC1=CC(=C(C=C1)OC2=CC(=CC(=C2OC(=O)C)OC)C=CCOC(=O)C)OC |
| SMILES (Isomeric) | CC(=O)OCC=CC1=CC(=C(C=C1)OC2=CC(=CC(=C2OC(=O)C)OC)C=CCOC(=O)C)OC |
| InChI | InChI=1S/C26H28O9/c1-17(27)32-12-6-8-20-10-11-22(23(14-20)30-4)35-25-16-21(9-7-13-33-18(2)28)15-24(31-5)26(25)34-19(3)29/h6-11,14-16H,12-13H2,1-5H3 |
| InChI Key | XNSOIXLZHQWGFS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H28O9 |
| Molecular Weight | 484.50 g/mol |
| Exact Mass | 484.17333247 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of 3-[4-[2-Acetyloxy-5-(3-acetyloxyprop-1-enyl)-3-methoxyphenoxy]-3-methoxyphenyl]prop-2-enyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/3-4-2-acetyloxy-5-3-acetyloxyprop-1-enyl-3-methoxyphenoxy-3-methoxyphenylprop-2-enyl-acetate.jpg "2D Structure of 3-[4-[2-Acetyloxy-5-(3-acetyloxyprop-1-enyl)-3-methoxyphenoxy]-3-methoxyphenyl]prop-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 |
|---|---|---|---|---|
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.71% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.32% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.86% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.01% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.65% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 86.39% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.76% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.08% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.19% | 94.73% |
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.
| Pinus taeda |
| PubChem | 162915010 |
| LOTUS | LTS0222677 |
| wikiData | Q105331942 |