11-(Hydroxymethyl)-2,2,9-trimethyl-10-(3-methylbut-2-enoxy)pyrano[2,3-a]xanthen-12-one
| Internal ID | 3637180e-5f70-476d-8f4c-8f32531876f5 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > Pyranoxanthones |
| IUPAC Name | 11-(hydroxymethyl)-2,2,9-trimethyl-10-(3-methylbut-2-enoxy)pyrano[2,3-a]xanthen-12-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H26O5/c1-14(2)9-11-28-23-15(3)12-19-20(17(23)13-26)22(27)21-18(29-19)7-6-16-8-10-25(4,5)30-24(16)21/h6-10,12,26H,11,13H2,1-5H3 |
| InChI Key | BTDXKHMPKZZMIG-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H26O5 |
| Molecular Weight | 406.50 g/mol |
| Exact Mass | 406.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of 11-(Hydroxymethyl)-2,2,9-trimethyl-10-(3-methylbut-2-enoxy)pyrano[2,3-a]xanthen-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/11-hydroxymethyl-229-trimethyl-10-3-methylbut-2-enoxypyrano23-axanthen-12-one.jpg "2D Structure of 11-(Hydroxymethyl)-2,2,9-trimethyl-10-(3-methylbut-2-enoxy)pyrano[2,3-a]xanthen-12-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.85% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.65% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.36% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.45% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.86% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.83% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.71% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.75% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.95% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.33% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.29% | 98.95% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 84.03% | 90.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.78% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.03% | 94.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.56% | 96.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.41% | 89.34% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.09% | 91.07% |
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 | 14034682 |
| LOTUS | LTS0185588 |
| wikiData | Q104945551 |