5-(1,4-dihydroxycyclohexyl)-4-hydroxy-3-(6,8,10-trimethyldodeca-2,4,6-trienoyl)-1H-pyridin-2-one
| Internal ID | 485d437c-3995-41d7-b3e8-cf13f38fd866 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids |
| IUPAC Name | 5-(1,4-dihydroxycyclohexyl)-4-hydroxy-3-(6,8,10-trimethyldodeca-2,4,6-trienoyl)-1H-pyridin-2-one |
| SMILES (Canonical) | CCC(C)CC(C)C=C(C)C=CC=CC(=O)C1=C(C(=CNC1=O)C2(CCC(CC2)O)O)O |
| SMILES (Isomeric) | CCC(C)CC(C)C=C(C)C=CC=CC(=O)C1=C(C(=CNC1=O)C2(CCC(CC2)O)O)O |
| InChI | InChI=1S/C26H37NO5/c1-5-17(2)14-19(4)15-18(3)8-6-7-9-22(29)23-24(30)21(16-27-25(23)31)26(32)12-10-20(28)11-13-26/h6-9,15-17,19-20,28,32H,5,10-14H2,1-4H3,(H2,27,30,31) |
| InChI Key | CFXXFGCOVLKQAW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H37NO5 |
| Molecular Weight | 443.60 g/mol |
| Exact Mass | 443.26717328 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 4.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.28% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.13% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.75% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.60% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.32% | 97.25% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 93.06% | 83.10% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.02% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.86% | 94.75% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 89.80% | 98.59% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.17% | 95.56% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 86.89% | 97.28% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.43% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.36% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.87% | 90.08% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.35% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.45% | 89.34% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.39% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.81% | 90.71% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.96% | 90.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.96% | 97.79% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.84% | 99.23% |
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 | 163070992 |
| LOTUS | LTS0124428 |
| wikiData | Q103817709 |