CID 139584101
| Internal ID | e092688d-5203-4143-96cb-ee5470154eb9 |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Methylpyridines |
| IUPAC Name | 4-hydroxy-6-[(2E,5E,7S)-7-hydroxy-3-methylocta-2,5-dienyl]-3-methyl-5-propyl-1H-pyridin-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H27NO3/c1-5-7-15-16(19-18(22)14(4)17(15)21)11-10-12(2)8-6-9-13(3)20/h6,9-10,13,20H,5,7-8,11H2,1-4H3,(H2,19,21,22)/b9-6+,12-10+/t13-/m0/s1 |
| InChI Key | IZJCLXWPUMBGDF-NFTJQFCYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H27NO3 |
| Molecular Weight | 305.40 g/mol |
| Exact Mass | 305.19909372 g/mol |
| Topological Polar Surface Area (TPSA) | 69.60 Ų |
| XlogP | 2.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.52% | 94.75% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 94.96% | 89.34% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.72% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.99% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.79% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.78% | 85.14% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 91.72% | 98.59% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.52% | 97.21% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.27% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.67% | 95.56% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 86.12% | 92.68% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.60% | 91.11% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.39% | 90.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.45% | 89.63% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.24% | 99.23% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 82.28% | 88.56% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 81.55% | 83.10% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.17% | 90.71% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 81.04% | 96.12% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.31% | 93.03% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.24% | 93.56% |
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 | 139584101 |
| LOTUS | LTS0079262 |
| wikiData | Q77279646 |