[4-[(1S)-1-[4-[(1R)-1-hydroxyethyl]phenoxy]ethyl]phenyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
| Internal ID | f9fed29b-fc15-4ee4-9dc3-6b21fd3fa143 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | [4-[(1S)-1-[4-[(1R)-1-hydroxyethyl]phenoxy]ethyl]phenyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate |
| SMILES (Canonical) | CC(C1=CC=C(C=C1)OC(C)C2=CC=C(C=C2)OC(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC)O |
| SMILES (Isomeric) | C[C@H](C1=CC=C(C=C1)O[C@@H](C)C2=CC=C(C=C2)OC(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC)O |
| InChI | InChI=1S/C28H30O7/c1-18(29)21-7-11-23(12-8-21)34-19(2)22-9-13-24(14-10-22)35-27(30)15-6-20-16-25(31-3)28(33-5)26(17-20)32-4/h6-19,29H,1-5H3/b15-6+/t18-,19+/m1/s1 |
| InChI Key | NZCYQWKDQYWDGO-MXIRWXNHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H30O7 |
| Molecular Weight | 478.50 g/mol |
| Exact Mass | 478.19915329 g/mol |
| Topological Polar Surface Area (TPSA) | 83.40 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of [4-[(1S)-1-[4-[(1R)-1-hydroxyethyl]phenoxy]ethyl]phenyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/4-1s-1-4-1r-1-hydroxyethylphenoxyethylphenyl-e-3-345-trimethoxyphenylprop-2-enoate.jpg "2D Structure of [4-[(1S)-1-[4-[(1R)-1-hydroxyethyl]phenoxy]ethyl]phenyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-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 | 97.35% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.55% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.64% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.96% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.91% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.20% | 90.00% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 88.49% | 92.98% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.34% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.15% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.21% | 98.75% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.93% | 93.31% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.35% | 91.07% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.65% | 85.14% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 82.72% | 92.68% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.69% | 94.45% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 81.89% | 85.31% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.08% | 97.14% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.00% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.66% | 90.71% |
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.
| Oxalis pes-caprae |
| PubChem | 163191280 |
| LOTUS | LTS0196817 |
| wikiData | Q105187837 |