2-[[2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]cyclohexa-2,5-diene-1,4-dione
| Internal ID | f4315283-6ee7-4341-8ad6-89556a50a5f3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Vitamin E compounds |
| IUPAC Name | 2-[[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]cyclohexa-2,5-diene-1,4-dione |
| SMILES (Canonical) | CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC3=CC(=O)C=CC3=O)C |
| SMILES (Isomeric) | CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC3=CC(=O)C=CC3=O)C |
| InChI | InChI=1S/C35H52O4/c1-23(2)12-9-13-24(3)14-10-15-25(4)16-11-20-35(8)21-19-30-28(7)33(26(5)27(6)34(30)39-35)38-32-22-29(36)17-18-31(32)37/h17-18,22-25H,9-16,19-21H2,1-8H3 |
| InChI Key | MGZZPZRFHXCQGY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H52O4 |
| Molecular Weight | 536.80 g/mol |
| Exact Mass | 536.38656014 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 10.90 |
| There are no found synonyms. |
![2D Structure of 2-[[2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]cyclohexa-2,5-diene-1,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/009058b0-8567-11ee-b74b-e5a1a4caabe6.jpg "2D Structure of 2-[[2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]cyclohexa-2,5-diene-1,4-dione")
| 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 | 97.38% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.12% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.68% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.79% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.40% | 98.95% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 88.07% | 93.81% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.13% | 97.25% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.62% | 93.31% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 85.54% | 94.66% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.19% | 86.33% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 84.86% | 92.12% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.85% | 89.63% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.02% | 90.71% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.63% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.37% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.82% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.73% | 93.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.61% | 96.47% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.45% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.03% | 96.09% |
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 | 162950077 |
| LOTUS | LTS0085388 |
| wikiData | Q105163686 |