3-[4-Acetyloxy-3-[1-acetyloxy-3-(4-acetyloxy-3-methoxyphenyl)propan-2-yl]-5-methoxyphenyl]prop-2-enyl acetate
| Internal ID | a1754556-29ff-431e-8bcb-307d83f6b42c |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | 3-[4-acetyloxy-3-[1-acetyloxy-3-(4-acetyloxy-3-methoxyphenyl)propan-2-yl]-5-methoxyphenyl]prop-2-enyl acetate |
| SMILES (Canonical) | CC(=O)OCC=CC1=CC(=C(C(=C1)OC)OC(=O)C)C(CC2=CC(=C(C=C2)OC(=O)C)OC)COC(=O)C |
| SMILES (Isomeric) | CC(=O)OCC=CC1=CC(=C(C(=C1)OC)OC(=O)C)C(CC2=CC(=C(C=C2)OC(=O)C)OC)COC(=O)C |
| InChI | InChI=1S/C28H32O10/c1-17(29)35-11-7-8-21-13-24(28(38-20(4)32)27(15-21)34-6)23(16-36-18(2)30)12-22-9-10-25(37-19(3)31)26(14-22)33-5/h7-10,13-15,23H,11-12,16H2,1-6H3 |
| InChI Key | FTTCPOACFSLRHT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H32O10 |
| Molecular Weight | 528.50 g/mol |
| Exact Mass | 528.19954721 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of 3-[4-Acetyloxy-3-[1-acetyloxy-3-(4-acetyloxy-3-methoxyphenyl)propan-2-yl]-5-methoxyphenyl]prop-2-enyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/103787f0-84b8-11ee-b13e-f190805c9ff3.jpg "2D Structure of 3-[4-Acetyloxy-3-[1-acetyloxy-3-(4-acetyloxy-3-methoxyphenyl)propan-2-yl]-5-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.08% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.49% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.16% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.45% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.40% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.73% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.90% | 98.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.14% | 90.20% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.81% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.76% | 89.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 84.45% | 95.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.15% | 91.11% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 83.41% | 92.68% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.96% | 94.73% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.47% | 96.95% |
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 | 162975071 |
| LOTUS | LTS0078597 |
| wikiData | Q105001290 |