6-[4-(5,11-Dihydroxy-1,10,11-trimethyl-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-yl)buta-1,3-dienyl]-4-methoxy-5-methylpyran-2-one
| Internal ID | fddde1ad-f3eb-46d3-8731-ed26ca59a796 |
| Taxonomy | Organoheterocyclic compounds > Furofurans |
| IUPAC Name | 6-[4-(5,11-dihydroxy-1,10,11-trimethyl-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-yl)buta-1,3-dienyl]-4-methoxy-5-methylpyran-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H28O8/c1-11-13(28-16(23)10-15(11)26-5)8-6-7-9-14-17(24)18-19(29-14)21(3)20(30-18)27-12(2)22(21,4)25/h6-10,12,14,17-20,24-25H,1-5H3 |
| InChI Key | AVOLRKQPXXFPLF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H28O8 |
| Molecular Weight | 420.50 g/mol |
| Exact Mass | 420.17841785 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of 6-[4-(5,11-Dihydroxy-1,10,11-trimethyl-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-yl)buta-1,3-dienyl]-4-methoxy-5-methylpyran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/9704dfe0-86c2-11ee-a733-e58cc9f707b2.jpg "2D Structure of 6-[4-(5,11-Dihydroxy-1,10,11-trimethyl-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-yl)buta-1,3-dienyl]-4-methoxy-5-methylpyran-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.78% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.81% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.30% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.65% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.06% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.30% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.26% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.58% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.57% | 99.23% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 83.84% | 90.20% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.44% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.11% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.08% | 98.75% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.72% | 94.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.04% | 96.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.81% | 91.07% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.20% | 85.30% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.16% | 100.00% |
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 | 162902272 |
| LOTUS | LTS0208987 |
| wikiData | Q103816477 |