[2-Hydroxy-11-(hydroxymethyl)-2,6-dimethyl-10-oxo-9,14-dioxatetracyclo[9.2.1.01,5.08,12]tetradecan-4-yl] 2-methylbutanoate
| Internal ID | 8963ba5d-19a2-4106-88bb-a55a23e2f7cc |
| Taxonomy | Organoheterocyclic compounds > Furofurans |
| IUPAC Name | [2-hydroxy-11-(hydroxymethyl)-2,6-dimethyl-10-oxo-9,14-dioxatetracyclo[9.2.1.01,5.08,12]tetradecan-4-yl] 2-methylbutanoate |
| SMILES (Canonical) | CCC(C)C(=O)OC1CC(C23C1C(CC4C(C2)C(O3)(C(=O)O4)CO)C)(C)O |
| SMILES (Isomeric) | CCC(C)C(=O)OC1CC(C23C1C(CC4C(C2)C(O3)(C(=O)O4)CO)C)(C)O |
| InChI | InChI=1S/C20H30O7/c1-5-10(2)16(22)25-14-8-18(4,24)20-7-12-13(6-11(3)15(14)20)26-17(23)19(12,9-21)27-20/h10-15,21,24H,5-9H2,1-4H3 |
| InChI Key | AXGKPQRDFHOGSC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O7 |
| Molecular Weight | 382.40 g/mol |
| Exact Mass | 382.19915329 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of [2-Hydroxy-11-(hydroxymethyl)-2,6-dimethyl-10-oxo-9,14-dioxatetracyclo[9.2.1.01,5.08,12]tetradecan-4-yl] 2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/48325630-8657-11ee-ade7-1392a737fb85.jpg "2D Structure of [2-Hydroxy-11-(hydroxymethyl)-2,6-dimethyl-10-oxo-9,14-dioxatetracyclo[9.2.1.01,5.08,12]tetradecan-4-yl] 2-methylbutanoate")
| 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 | 98.01% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.98% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.64% | 97.09% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 92.07% | 98.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.74% | 94.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.32% | 97.79% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.62% | 91.11% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.69% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.06% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.85% | 99.23% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.49% | 96.47% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.44% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.42% | 85.14% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.37% | 95.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.06% | 91.19% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.43% | 96.95% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.41% | 89.50% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.14% | 86.92% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.00% | 96.77% |
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.
| Gaillardia pulchella |
| PubChem | 162890881 |
| LOTUS | LTS0216185 |
| wikiData | Q105371271 |