6-Hydroxy-3-(24-hydroxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2,4,4-trimethylcyclohex-2-en-1-one
| Internal ID | ad44fb63-33a2-45b2-b88f-98343b81221b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Tetraterpenoids > Carotenoids > Xanthophylls |
| IUPAC Name | 6-hydroxy-3-(24-hydroxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2,4,4-trimethylcyclohex-2-en-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H54O3/c1-30(19-13-21-32(3)22-14-23-33(4)25-16-28-40(9,10)43)17-11-12-18-31(2)20-15-24-34(5)26-27-36-35(6)38(42)37(41)29-39(36,7)8/h11-27,37,41,43H,28-29H2,1-10H3 |
| InChI Key | LLKMUZAISVDKFO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H54O3 |
| Molecular Weight | 582.90 g/mol |
| Exact Mass | 582.40729558 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 11.50 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.27% | 97.25% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 94.53% | 89.34% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.33% | 91.11% |
| CHEMBL1870 | P28702 | Retinoid X receptor beta | 91.79% | 95.00% |
| CHEMBL2004 | P48443 | Retinoid X receptor gamma | 90.78% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.80% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.72% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.09% | 94.75% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.94% | 89.63% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 87.29% | 90.93% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 86.44% | 91.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.88% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.77% | 86.33% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.73% | 96.61% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.96% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.71% | 100.00% |
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 | 73229422 |
| LOTUS | LTS0085443 |
| wikiData | Q104171058 |