[5-(Hydroxymethyl)-4-methoxy-6-oxo-2-prop-1-enylpyran-3-yl]methyl acetate
| Internal ID | 5f317f9b-82ed-4010-ad0b-b844abb01108 |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives |
| IUPAC Name | [5-(hydroxymethyl)-4-methoxy-6-oxo-2-prop-1-enylpyran-3-yl]methyl acetate |
| SMILES (Canonical) | CC=CC1=C(C(=C(C(=O)O1)CO)OC)COC(=O)C |
| SMILES (Isomeric) | CC=CC1=C(C(=C(C(=O)O1)CO)OC)COC(=O)C |
| InChI | InChI=1S/C13H16O6/c1-4-5-11-10(7-18-8(2)15)12(17-3)9(6-14)13(16)19-11/h4-5,14H,6-7H2,1-3H3 |
| InChI Key | RIWMXABBCUAUDO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H16O6 |
| Molecular Weight | 268.26 g/mol |
| Exact Mass | 268.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of [5-(Hydroxymethyl)-4-methoxy-6-oxo-2-prop-1-enylpyran-3-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/5-hydroxymethyl-4-methoxy-6-oxo-2-prop-1-enylpyran-3-ylmethyl-acetate.jpg "2D Structure of [5-(Hydroxymethyl)-4-methoxy-6-oxo-2-prop-1-enylpyran-3-yl]methyl acetate")
| 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 | 93.19% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.80% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.97% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.16% | 96.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.55% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.09% | 91.19% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.86% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.56% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.30% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.45% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.29% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.77% | 85.14% |
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 | 85126613 |
| LOTUS | LTS0039082 |
| wikiData | Q104196650 |