[2,6,10,14,19,23-Hexamethyl-3-oxo-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaen-2-yl] octadeca-9,12-dienoate
| Internal ID | c21377e1-50dd-460b-9148-829ab8a29ff9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Tetraterpenoids > Carotenoids > Xanthophylls |
| IUPAC Name | [2,6,10,14,19,23-hexamethyl-3-oxo-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaen-2-yl] octadeca-9,12-dienoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C58H84O3/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-42-56(60)61-58(10,11)55(59)46-44-52(6)40-31-38-50(4)37-29-35-48(2)33-27-28-34-49(3)36-30-39-51(5)43-45-54-53(7)41-32-47-57(54,8)9/h16-17,19-20,27-31,33-40,43-46H,12-15,18,21-26,32,41-42,47H2,1-11H3 |
| InChI Key | FIAJLFFCWGLUBZ-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C58H84O3 |
| Molecular Weight | 829.30 g/mol |
| Exact Mass | 828.64204654 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 19.80 |
| There are no found synonyms. |
![2D Structure of [2,6,10,14,19,23-Hexamethyl-3-oxo-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaen-2-yl] octadeca-9,12-dienoate](https://plantaedb.com/storage/docs/compounds/2023/11/23379070-8763-11ee-b5ce-396112d48b6b.jpg "2D Structure of [2,6,10,14,19,23-Hexamethyl-3-oxo-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaen-2-yl] octadeca-9,12-dienoate")
| 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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 99.49% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.84% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.68% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.35% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.18% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.09% | 99.17% |
| CHEMBL1870 | P28702 | Retinoid X receptor beta | 94.06% | 95.00% |
| CHEMBL2004 | P48443 | Retinoid X receptor gamma | 93.09% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 92.61% | 95.50% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 91.76% | 91.67% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.46% | 97.25% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 91.31% | 91.71% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.46% | 100.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 88.91% | 85.94% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.56% | 96.95% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 87.45% | 92.86% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.26% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.95% | 95.89% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.28% | 97.79% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.75% | 92.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.91% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.61% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.09% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.78% | 94.73% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 82.40% | 95.92% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.86% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.86% | 89.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.14% | 94.33% |
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 | 162907499 |
| LOTUS | LTS0186651 |
| wikiData | Q104995580 |