[2-Hydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]propyl] pentacosanoate
| Internal ID | bc6520ad-b864-4611-8d0a-22f2253c0899 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | [2-hydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]propyl] pentacosanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C=CC1=CC(=C(C=C1)O)OC)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C=CC1=CC(=C(C=C1)O)OC)O |
| InChI | InChI=1S/C38H64O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-37(41)44-31-34(39)32-45-38(42)29-27-33-26-28-35(40)36(30-33)43-2/h26-30,34,39-40H,3-25,31-32H2,1-2H3 |
| InChI Key | RQLQIHOSBLFJRD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H64O7 |
| Molecular Weight | 632.90 g/mol |
| Exact Mass | 632.46520438 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 13.30 |
| There are no found synonyms. |
![2D Structure of [2-Hydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]propyl] pentacosanoate](https://plantaedb.com/storage/docs/compounds/2023/11/2-hydroxy-3-3-4-hydroxy-3-methoxyphenylprop-2-enoyloxypropyl-pentacosanoate.jpg "2D Structure of [2-Hydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]propyl] pentacosanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.70% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.38% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.25% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.43% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 97.12% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.70% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.51% | 92.08% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.91% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.46% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 89.70% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.16% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.71% | 94.45% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.73% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.60% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.45% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.86% | 94.73% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163029037 |
| LOTUS | LTS0222211 |
| wikiData | Q105243405 |