(7e)-3-(4-Buta-2,3-dienyloxy-3-methoxy-phenyl)-acrylic acid methyl ester
| Internal ID | 723bb6ec-6640-4c20-a558-6fee62c16446 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | methyl (E)-3-(4-buta-2,3-dienoxy-3-methoxyphenyl)prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H16O4/c1-4-5-10-19-13-8-6-12(11-14(13)17-2)7-9-15(16)18-3/h5-9,11H,1,10H2,2-3H3/b9-7+ |
| InChI Key | IHEOIJMPDMHWKQ-VQHVLOKHSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C15H16O4 |
| Molecular Weight | 260.28 g/mol |
| Exact Mass | 260.10485899 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 2.40 |
| Methyl (2E)-3-(4-(buta-2,3-dien-1-yloxy)-3-methoxyphenyl)prop-2-enoic acid |
| Methyl (2E)-3-[4-(buta-2,3-dien-1-yloxy)-3-methoxyphenyl]prop-2-enoic acid |
| RefChem:69739 |
| CHEMBL395025 |
| CHEBI:212348 |
| 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 | 97.55% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.14% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.86% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.72% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.54% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.45% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.53% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.88% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.86% | 94.73% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.41% | 89.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.36% | 89.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.01% | 90.20% |
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.
| There are no matching plants. |
| PubChem | 17748223 |
| LOTUS | LTS0111229 |
| wikiData | Q77494335 |