[3-(3-Methyloxiran-2-yl)-4-(2-methylpropanoyloxy)phenyl] 2-methylbut-2-enoate
| Internal ID | b02b527d-0360-46ce-86ae-bf11264be923 |
| Taxonomy | Benzenoids > Phenol esters |
| IUPAC Name | [3-(3-methyloxiran-2-yl)-4-(2-methylpropanoyloxy)phenyl] 2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1=CC(=C(C=C1)OC(=O)C(C)C)C2C(O2)C |
| SMILES (Isomeric) | CC=C(C)C(=O)OC1=CC(=C(C=C1)OC(=O)C(C)C)C2C(O2)C |
| InChI | InChI=1S/C18H22O5/c1-6-11(4)18(20)22-13-7-8-15(23-17(19)10(2)3)14(9-13)16-12(5)21-16/h6-10,12,16H,1-5H3 |
| InChI Key | AHTFCBOAMAAEPR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H22O5 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 65.10 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of [3-(3-Methyloxiran-2-yl)-4-(2-methylpropanoyloxy)phenyl] 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/3-3-methyloxiran-2-yl-4-2-methylpropanoyloxyphenyl-2-methylbut-2-enoate.jpg "2D Structure of [3-(3-Methyloxiran-2-yl)-4-(2-methylpropanoyloxy)phenyl] 2-methylbut-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.28% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.62% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.69% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.24% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.12% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.77% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.58% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.78% | 98.95% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 87.45% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.94% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.29% | 91.07% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.60% | 90.71% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.30% | 97.21% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.15% | 96.00% |
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.
| Pimpinella diversifolia |
| PubChem | 163016423 |
| LOTUS | LTS0037035 |
| wikiData | Q104912448 |