2-Acetyl-3-p-coumaroyl-1-feruloylglycerol
| Internal ID | ee749d65-dad0-43d1-806b-93cf3d178154 |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Triradylcglycerols > Triacylglycerols |
| IUPAC Name | [2-acetyloxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | CC(=O)OC(COC(=O)C=CC1=CC=C(C=C1)O)COC(=O)C=CC2=CC(=C(C=C2)O)OC |
| SMILES (Isomeric) | CC(=O)OC(COC(=O)/C=C/C1=CC=C(C=C1)O)COC(=O)/C=C/C2=CC(=C(C=C2)O)OC |
| InChI | InChI=1S/C24H24O9/c1-16(25)33-20(14-31-23(28)11-6-17-3-8-19(26)9-4-17)15-32-24(29)12-7-18-5-10-21(27)22(13-18)30-2/h3-13,20,26-27H,14-15H2,1-2H3/b11-6+,12-7+ |
| InChI Key | SSRYGMNKGHCFDE-GNXRPPCSSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H24O9 |
| Molecular Weight | 456.40 g/mol |
| Exact Mass | 456.14203234 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | 3.40 |
| SCHEMBL1658510 |
| CHEMBL1096599 |
| 2-acetyl-3-p-coumaroyl-1-feruloylglycerol |
| 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 | 97.59% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.30% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.47% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.95% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.89% | 99.17% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.28% | 89.62% |
| CHEMBL3194 | P02766 | Transthyretin | 91.94% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.25% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.30% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.91% | 89.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.37% | 89.50% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.88% | 97.21% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.23% | 99.15% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.88% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.41% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.43% | 98.95% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.48% | 93.10% |
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.
| Populus tremula |
| PubChem | 46886812 |
| LOTUS | LTS0029737 |
| wikiData | Q105259862 |