Methyl 2-[1,4,6-triethyl-8-(1-hydroxyethyl)-3,9,10-trioxatricyclo[5.3.1.04,11]undecan-2-ylidene]acetate
| Internal ID | c7d1ad8a-c0e8-4c3b-8fa1-ea3131464c21 |
| Taxonomy | Organoheterocyclic compounds > Dioxanes > 1,2-dioxanes |
| IUPAC Name | methyl 2-[1,4,6-triethyl-8-(1-hydroxyethyl)-3,9,10-trioxatricyclo[5.3.1.04,11]undecan-2-ylidene]acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H30O6/c1-6-12-10-18(7-2)17-15(12)16(11(4)20)24-25-19(17,8-3)13(23-18)9-14(21)22-5/h9,11-12,15-17,20H,6-8,10H2,1-5H3 |
| InChI Key | HXBJHHAGBLMCAA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H30O6 |
| Molecular Weight | 354.40 g/mol |
| Exact Mass | 354.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 74.20 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of Methyl 2-[1,4,6-triethyl-8-(1-hydroxyethyl)-3,9,10-trioxatricyclo[5.3.1.04,11]undecan-2-ylidene]acetate](https://plantaedb.com/storage/docs/compounds/2023/11/cbebfe60-8594-11ee-88e5-1518bdb362d6.jpg "2D Structure of Methyl 2-[1,4,6-triethyl-8-(1-hydroxyethyl)-3,9,10-trioxatricyclo[5.3.1.04,11]undecan-2-ylidene]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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.85% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.50% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.84% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.59% | 85.14% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.96% | 90.17% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.67% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.04% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.20% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.16% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.04% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.91% | 97.09% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.39% | 94.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.26% | 90.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.32% | 95.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.86% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.02% | 91.19% |
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 | 74929495 |
| LOTUS | LTS0085967 |
| wikiData | Q105034902 |