[(1R,2R)-3-formyl-4-methyl-2-(2-oxoethyl)cyclopent-3-en-1-yl] 4-methoxybenzoate
| Internal ID | 66ab7b56-d090-4e15-8637-dc045a75449f |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Methoxybenzoic acids and derivatives > P-methoxybenzoic acids and derivatives |
| IUPAC Name | [(1R,2R)-3-formyl-4-methyl-2-(2-oxoethyl)cyclopent-3-en-1-yl] 4-methoxybenzoate |
| SMILES (Canonical) | CC1=C(C(C(C1)OC(=O)C2=CC=C(C=C2)OC)CC=O)C=O |
| SMILES (Isomeric) | CC1=C([C@H]([C@@H](C1)OC(=O)C2=CC=C(C=C2)OC)CC=O)C=O |
| InChI | InChI=1S/C17H18O5/c1-11-9-16(14(7-8-18)15(11)10-19)22-17(20)12-3-5-13(21-2)6-4-12/h3-6,8,10,14,16H,7,9H2,1-2H3/t14-,16-/m1/s1 |
| InChI Key | OWWOTKKDRBJPNA-GDBMZVCRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H18O5 |
| Molecular Weight | 302.32 g/mol |
| Exact Mass | 302.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 69.70 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of [(1R,2R)-3-formyl-4-methyl-2-(2-oxoethyl)cyclopent-3-en-1-yl] 4-methoxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/1r2r-3-formyl-4-methyl-2-2-oxoethylcyclopent-3-en-1-yl-4-methoxybenzoate.jpg "2D Structure of [(1R,2R)-3-formyl-4-methyl-2-(2-oxoethyl)cyclopent-3-en-1-yl] 4-methoxybenzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL4208 | P20618 | Proteasome component C5 | 96.64% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.42% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.29% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.36% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.64% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.46% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.79% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.15% | 96.95% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 87.15% | 90.24% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.61% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.61% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.03% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.77% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.40% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.71% | 91.19% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.20% | 98.75% |
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.
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| There are no matching plants. |
| PubChem | 10685753 |
| LOTUS | LTS0071610 |
| wikiData | Q105202354 |