Methyl piperate
| Internal ID | b40e755a-2f74-4a8b-8907-7242556af671 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | methyl (2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoate |
| SMILES (Canonical) | COC(=O)C=CC=CC1=CC2=C(C=C1)OCO2 |
| SMILES (Isomeric) | COC(=O)/C=C/C=C/C1=CC2=C(C=C1)OCO2 |
| InChI | InChI=1S/C13H12O4/c1-15-13(14)5-3-2-4-10-6-7-11-12(8-10)17-9-16-11/h2-8H,9H2,1H3/b4-2+,5-3+ |
| InChI Key | VOZJBFJHMHRLDN-ZUVMSYQZSA-N |
| Popularity | 8 references in papers |
| Molecular Formula | C13H12O4 |
| Molecular Weight | 232.23 g/mol |
| Exact Mass | 232.07355886 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 3.00 |
| CHEMBL42965 |
| 6190-46-1 |
| (2E,4E)-methyl 5-(benzo[d][1,3]dioxol-5-yl)penta-2,4-dienoate |
| Piperinic acid methyl ester |
| Piperinsaure-methylester |
| Piperic acid methyl ester |
| D0EX4L |
| SCHEMBL3244271 |
| 2,4-Pentadienoic acid, 5-(1,3-benzodioxol-5-yl)-, methyl ester, (E,E)- |
| VOZJBFJHMHRLDN-ZUVMSYQZSA-N |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 98.39% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 96.56% | 94.80% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 94.57% | 92.51% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.23% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.92% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.70% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.26% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.43% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.11% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.82% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.09% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.89% | 99.17% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 85.63% | 80.96% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.52% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.16% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.15% | 92.62% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.01% | 85.30% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.10% | 83.82% |
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.
| PubChem | 9921021 |
| NPASS | NPC199209 |
| ChEMBL | CHEMBL42965 |
| LOTUS | LTS0162249 |
| wikiData | Q104389496 |