[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] (Z)-2-[[(E)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate
| Internal ID | de4714fc-fa03-4859-8eb3-5dbc45828a6c |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Methoxybenzenes > Dimethoxybenzenes |
| IUPAC Name | [(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] (Z)-2-[[(E)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OCC(=CC)C(=O)OCC=CC1=CC(=C(C=C1)OC)OC |
| SMILES (Isomeric) | C/C=C(\C)/C(=O)OC/C(=C/C)/C(=O)OC/C=C/C1=CC(=C(C=C1)OC)OC |
| InChI | InChI=1S/C21H26O6/c1-6-15(3)20(22)27-14-17(7-2)21(23)26-12-8-9-16-10-11-18(24-4)19(13-16)25-5/h6-11,13H,12,14H2,1-5H3/b9-8+,15-6+,17-7- |
| InChI Key | SMFMXIFWUMPOHW-AHYOAEHOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H26O6 |
| Molecular Weight | 374.40 g/mol |
| Exact Mass | 374.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 71.10 Ų |
| XlogP | 3.90 |
| [(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] (Z)-2-[[(E)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate |
| [(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] (Z)-2-[[(E)-2-methylbut-2-eno yl]oxymethyl]but-2-enoate |
| Compound NP-006990 |
| AKOS040735643 |
| 2-Butenoic acid, 2-methyl-, (2Z)-2-((((2E)-3-(3,4-dimethoxyphenyl)-2-propenyl)oxy)carbonyl)-2-butenyl ester, (2Z)- |
![2D Structure of [(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] (Z)-2-[[(E)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/e-3-34-dimethoxyphenylprop-2-enyl-z-2-e-2-methylbut-2-enoyloxymethylbut-2-enoate.jpg "2D Structure of [(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] (Z)-2-[[(E)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate")
| 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 | 97.29% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.98% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.73% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.93% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.65% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.27% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.56% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.97% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.85% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.19% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.44% | 94.45% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.15% | 90.20% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.04% | 89.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.35% | 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.
| Anthriscus sylvestris |
| Oxyanthus speciosus |
| Sambucus nigra |
| Xeranthemum cylindraceum |
| PubChem | 6440313 |
| LOTUS | LTS0127712 |
| wikiData | Q105138980 |