2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E)-24-methoxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-1,3,3-trimethylcyclohexene
| Internal ID | 4b7a2519-fb62-4622-9f46-0261d9d39d00 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Tetraterpenoids > Carotenoids > Xanthophylls |
| IUPAC Name | 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E)-24-methoxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-1,3,3-trimethylcyclohexene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C41H58O/c1-33(21-14-23-35(3)24-15-25-36(4)27-17-32-41(9,10)42-11)19-12-13-20-34(2)22-16-26-37(5)29-30-39-38(6)28-18-31-40(39,7)8/h12-17,19-27,29-30H,18,28,31-32H2,1-11H3/b13-12+,21-14+,22-16+,24-15+,27-17+,30-29+,33-19+,34-20+,35-23+,36-25+,37-26+ |
| InChI Key | ZFYHXIKAAWDVBG-UDAUEHHFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C41H58O |
| Molecular Weight | 566.90 g/mol |
| Exact Mass | 566.448766469 g/mol |
| Topological Polar Surface Area (TPSA) | 9.20 Ų |
| XlogP | 13.70 |
| There are no found synonyms. |
![2D Structure of 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E)-24-methoxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-1,3,3-trimethylcyclohexene](https://plantaedb.com/storage/docs/compounds/2023/11/ac99a8e0-867f-11ee-a198-0d80e7a471f5.jpg "2D Structure of 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E)-24-methoxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-1,3,3-trimethylcyclohexene")
| 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 | 97.07% | 91.11% |
| CHEMBL1870 | P28702 | Retinoid X receptor beta | 95.53% | 95.00% |
| CHEMBL2004 | P48443 | Retinoid X receptor gamma | 95.12% | 100.00% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 95.03% | 91.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.79% | 86.33% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 92.64% | 91.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.44% | 95.50% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.40% | 89.63% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.35% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.14% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.05% | 93.99% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.67% | 97.25% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 84.53% | 95.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.44% | 95.56% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 83.38% | 92.68% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.14% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.93% | 95.89% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.50% | 90.93% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.95% | 92.62% |
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 | 87443276 |
| LOTUS | LTS0079489 |
| wikiData | Q105374918 |