[2-Hydroxy-2-(4-methoxy-3,5-dimethyl-6-oxopyran-2-yl)-4,6-dimethyl-7-(2,4,5-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl)hepta-4,6-dien-3-yl] acetate
| Internal ID | 41e90a41-18d1-429a-9dfc-b06d985a85eb |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives |
| IUPAC Name | [2-hydroxy-2-(4-methoxy-3,5-dimethyl-6-oxopyran-2-yl)-4,6-dimethyl-7-(2,4,5-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl)hepta-4,6-dien-3-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H36O8/c1-13(12-24(7)23-26(9,34-23)17(5)33-24)11-14(2)20(31-18(6)27)25(8,29)21-15(3)19(30-10)16(4)22(28)32-21/h11-12,17,20,23,29H,1-10H3 |
| InChI Key | BWFBYMWNGMAUMC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H36O8 |
| Molecular Weight | 476.60 g/mol |
| Exact Mass | 476.24101810 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of [2-Hydroxy-2-(4-methoxy-3,5-dimethyl-6-oxopyran-2-yl)-4,6-dimethyl-7-(2,4,5-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl)hepta-4,6-dien-3-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/6f8451e0-85fc-11ee-a201-7bf6b716cd10.jpg "2D Structure of [2-Hydroxy-2-(4-methoxy-3,5-dimethyl-6-oxopyran-2-yl)-4,6-dimethyl-7-(2,4,5-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl)hepta-4,6-dien-3-yl] 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 | 97.42% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.87% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.79% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.78% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.81% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.49% | 83.82% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.83% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.47% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.06% | 91.07% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.84% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.98% | 97.14% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 86.19% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.51% | 91.19% |
| CHEMBL3572 | P11597 | Cholesteryl ester transfer protein | 84.58% | 92.67% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.13% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.07% | 94.00% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 83.64% | 92.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.64% | 96.47% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.58% | 97.28% |
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 | 162912714 |
| LOTUS | LTS0206939 |
| wikiData | Q103817077 |