2-[(12S)-12-hydroxytridecyl]-3-methoxy-1H-quinolin-4-one
| Internal ID | 249fa01d-1824-453e-88ca-611d97f973be |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones |
| IUPAC Name | 2-[(12S)-12-hydroxytridecyl]-3-methoxy-1H-quinolin-4-one |
| SMILES (Canonical) | CC(CCCCCCCCCCCC1=C(C(=O)C2=CC=CC=C2N1)OC)O |
| SMILES (Isomeric) | C[C@@H](CCCCCCCCCCCC1=C(C(=O)C2=CC=CC=C2N1)OC)O |
| InChI | InChI=1S/C23H35NO3/c1-18(25)14-10-8-6-4-3-5-7-9-11-17-21-23(27-2)22(26)19-15-12-13-16-20(19)24-21/h12-13,15-16,18,25H,3-11,14,17H2,1-2H3,(H,24,26)/t18-/m0/s1 |
| InChI Key | OSAYGIDOEMCDEU-SFHVURJKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H35NO3 |
| Molecular Weight | 373.50 g/mol |
| Exact Mass | 373.26169398 g/mol |
| Topological Polar Surface Area (TPSA) | 58.60 Ų |
| XlogP | 6.60 |
| There are no found synonyms. |
![2D Structure of 2-[(12S)-12-hydroxytridecyl]-3-methoxy-1H-quinolin-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/2-12s-12-hydroxytridecyl-3-methoxy-1h-quinolin-4-one.jpg "2D Structure of 2-[(12S)-12-hydroxytridecyl]-3-methoxy-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.12% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.68% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.17% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.62% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.73% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.39% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.49% | 95.56% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 93.79% | 87.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.98% | 98.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.16% | 85.14% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 87.64% | 94.08% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 87.52% | 95.56% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 86.20% | 88.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.92% | 90.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.74% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.80% | 99.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.40% | 96.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.61% | 94.62% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 82.38% | 92.98% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.13% | 93.31% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.10% | 99.17% |
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.
| Sohnreyia excelsa |
| PubChem | 163190335 |
| LOTUS | LTS0150750 |
| wikiData | Q105198766 |