4-methoxy-5-methyl-6-[(E,3R)-3-methylpent-1-enyl]pyran-2-one
| Internal ID | c8aba2df-1239-49ab-9acd-6f9af8d27f70 |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives |
| IUPAC Name | 4-methoxy-5-methyl-6-[(E,3R)-3-methylpent-1-enyl]pyran-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C13H18O3/c1-5-9(2)6-7-11-10(3)12(15-4)8-13(14)16-11/h6-9H,5H2,1-4H3/b7-6+/t9-/m1/s1 |
| InChI Key | KTXOHEGYWWVREA-XCODYQFDSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.28 g/mol |
| Exact Mass | 222.125594432 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 4-methoxy-5-methyl-6-[(E,3R)-3-methylpent-1-enyl]pyran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/4-methoxy-5-methyl-6-e3r-3-methylpent-1-enylpyran-2-one.jpg "2D Structure of 4-methoxy-5-methyl-6-[(E,3R)-3-methylpent-1-enyl]pyran-2-one")
| 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 |
|---|---|---|---|---|
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.52% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.11% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.41% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.28% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.64% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.48% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.03% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.37% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.98% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.20% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.17% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.52% | 98.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.58% | 89.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.90% | 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.
| There are no matching plants. |
| PubChem | 163194194 |
| LOTUS | LTS0210595 |
| wikiData | Q105146002 |