4-(1-ethoxyethyl)-5-methyl-2-[(2E,6E)-3,7,11-trime thyldodec-2,6,10-trienyl]benzene-1,3-diol4-(1-ethoxyethyl)-5-methyl-2-[(2E,6E)-3,7,11-trime thyldodec-2,6,10-trienyl]benzene-1,3-diol
| Internal ID | d2674a7f-e493-425f-9141-d580380e845b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 4-(1-ethoxyethyl)-5-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene-1,3-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H40O3/c1-8-29-22(7)25-21(6)17-24(27)23(26(25)28)16-15-20(5)14-10-13-19(4)12-9-11-18(2)3/h11,13,15,17,22,27-28H,8-10,12,14,16H2,1-7H3/b19-13+,20-15+ |
| InChI Key | QCTPGZQDYNRTJA-YLYRKCBPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H40O3 |
| Molecular Weight | 400.60 g/mol |
| Exact Mass | 400.29774513 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 7.60 |
| There are no found synonyms. |
![2D Structure of 4-(1-ethoxyethyl)-5-methyl-2-[(2E,6E)-3,7,11-trime thyldodec-2,6,10-trienyl]benzene-1,3-diol4-(1-ethoxyethyl)-5-methyl-2-[(2E,6E)-3,7,11-trime thyldodec-2,6,10-trienyl]benzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/7e2a69b0-85f6-11ee-818a-9570ef1387b5.jpg "2D Structure of 4-(1-ethoxyethyl)-5-methyl-2-[(2E,6E)-3,7,11-trime thyldodec-2,6,10-trienyl]benzene-1,3-diol4-(1-ethoxyethyl)-5-methyl-2-[(2E,6E)-3,7,11-trime thyldodec-2,6,10-trienyl]benzene-1,3-diol")
| 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 | 97.56% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.66% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.50% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 93.88% | 97.21% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.56% | 92.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.00% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.97% | 91.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.44% | 99.17% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 88.29% | 92.68% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.33% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.28% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.55% | 93.56% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 82.25% | 97.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.07% | 94.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.49% | 90.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.25% | 96.95% |
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 | 139588244 |
| LOTUS | LTS0218052 |
| wikiData | Q105218588 |