2-[(3S,4E,6Z)-3-hydroxynona-4,6-dienyl]-1H-quinolin-4-one
| Internal ID | 6056901f-212f-4845-9412-f8476b7e9823 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones |
| IUPAC Name | 2-[(3S,4E,6Z)-3-hydroxynona-4,6-dienyl]-1H-quinolin-4-one |
| SMILES (Canonical) | CCC=CC=CC(CCC1=CC(=O)C2=CC=CC=C2N1)O |
| SMILES (Isomeric) | CC/C=C\C=C\[C@H](CCC1=CC(=O)C2=CC=CC=C2N1)O |
| InChI | InChI=1S/C18H21NO2/c1-2-3-4-5-8-15(20)12-11-14-13-18(21)16-9-6-7-10-17(16)19-14/h3-10,13,15,20H,2,11-12H2,1H3,(H,19,21)/b4-3-,8-5+/t15-/m1/s1 |
| InChI Key | FNEYFRLVOWTCBP-DHNBALERSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H21NO2 |
| Molecular Weight | 283.40 g/mol |
| Exact Mass | 283.157228913 g/mol |
| Topological Polar Surface Area (TPSA) | 49.30 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of 2-[(3S,4E,6Z)-3-hydroxynona-4,6-dienyl]-1H-quinolin-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/2-3s4e6z-3-hydroxynona-46-dienyl-1h-quinolin-4-one.jpg "2D Structure of 2-[(3S,4E,6Z)-3-hydroxynona-4,6-dienyl]-1H-quinolin-4-one")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.57% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.05% | 91.11% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 95.04% | 98.59% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.89% | 95.56% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 92.43% | 91.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.96% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.14% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.15% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.29% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.13% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.43% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.84% | 98.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.01% | 93.99% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.68% | 93.31% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.56% | 94.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.42% | 86.33% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 80.88% | 92.98% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.02% | 94.75% |
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.
| Haplophyllum acutifolium |
| Ipomoea nil |
| PubChem | 163067727 |
| LOTUS | LTS0079087 |
| wikiData | Q104947267 |