methyl 3-[6-[(4Z,7Z)-deca-4,7-dienyl]-4-oxopyran-2-yl]propanoate
| Internal ID | 98a8b5c4-cd7a-4f33-aa4f-960d16e36675 |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives |
| IUPAC Name | methyl 3-[6-[(4Z,7Z)-deca-4,7-dienyl]-4-oxopyran-2-yl]propanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H26O4/c1-3-4-5-6-7-8-9-10-11-17-14-16(20)15-18(23-17)12-13-19(21)22-2/h4-5,7-8,14-15H,3,6,9-13H2,1-2H3/b5-4-,8-7- |
| InChI Key | DNHFRLIPFAOCKE-UTOQUPLUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H26O4 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of methyl 3-[6-[(4Z,7Z)-deca-4,7-dienyl]-4-oxopyran-2-yl]propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-3-6-4z7z-deca-47-dienyl-4-oxopyran-2-ylpropanoate.jpg "2D Structure of methyl 3-[6-[(4Z,7Z)-deca-4,7-dienyl]-4-oxopyran-2-yl]propanoate")
| 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 | 97.78% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.47% | 99.17% |
| CHEMBL239 | Q07869 | Peroxisome proliferator-activated receptor alpha | 96.60% | 90.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.46% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.27% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.11% | 98.95% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.86% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.93% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.68% | 96.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.57% | 89.34% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.86% | 97.21% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.38% | 94.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.37% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.91% | 95.56% |
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.
| There are no matching plants. |
| PubChem | 11370571 |
| LOTUS | LTS0223441 |
| wikiData | Q104985554 |