[2-Hydroxy-2-(2-hydroxy-4-methylphenyl)-3-(3-phenylprop-2-enoyloxy)propyl] 2-methylpropanoate
| Internal ID | 40e7dbf1-4a4f-4570-a701-cb2d68521f49 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Cinnamic acid esters |
| IUPAC Name | [2-hydroxy-2-(2-hydroxy-4-methylphenyl)-3-(3-phenylprop-2-enoyloxy)propyl] 2-methylpropanoate |
| SMILES (Canonical) | CC1=CC(=C(C=C1)C(COC(=O)C=CC2=CC=CC=C2)(COC(=O)C(C)C)O)O |
| SMILES (Isomeric) | CC1=CC(=C(C=C1)C(COC(=O)C=CC2=CC=CC=C2)(COC(=O)C(C)C)O)O |
| InChI | InChI=1S/C23H26O6/c1-16(2)22(26)29-15-23(27,19-11-9-17(3)13-20(19)24)14-28-21(25)12-10-18-7-5-4-6-8-18/h4-13,16,24,27H,14-15H2,1-3H3 |
| InChI Key | PSYOOPKAFUXOPK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H26O6 |
| Molecular Weight | 398.40 g/mol |
| Exact Mass | 398.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of [2-Hydroxy-2-(2-hydroxy-4-methylphenyl)-3-(3-phenylprop-2-enoyloxy)propyl] 2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/2-hydroxy-2-2-hydroxy-4-methylphenyl-3-3-phenylprop-2-enoyloxypropyl-2-methylpropanoate.jpg "2D Structure of [2-Hydroxy-2-(2-hydroxy-4-methylphenyl)-3-(3-phenylprop-2-enoyloxy)propyl] 2-methylpropanoate")
| 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 | 97.77% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.52% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.98% | 86.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 95.55% | 94.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.02% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.26% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.90% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.44% | 96.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.09% | 89.62% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.18% | 90.17% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 88.04% | 91.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.22% | 99.15% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.58% | 91.49% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.21% | 96.95% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.13% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.31% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.46% | 93.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.96% | 98.75% |
| CHEMBL5028 | O14672 | ADAM10 | 81.75% | 97.50% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.62% | 90.93% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.47% | 97.21% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.19% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.39% | 89.00% |
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.
| Ageratina anisochroma |
| PubChem | 162866443 |
| LOTUS | LTS0112090 |
| wikiData | Q105214474 |