[(1S,2S)-2-(1,3-dioxo-6,7,8,9-tetrahydronaphtho[2,3-f]isoindol-2-yl)cyclohexyl] (12S)-12-methyltetradecanoate
| Internal ID | 08eb7f36-d90f-4db3-9985-7d479ea77fe8 |
| Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives > Isoindolines > Isoindolones > Phthalimides |
| IUPAC Name | [(1S,2S)-2-(1,3-dioxo-6,7,8,9-tetrahydronaphtho[2,3-f]isoindol-2-yl)cyclohexyl] (12S)-12-methyltetradecanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H51NO4/c1-3-26(2)16-10-8-6-4-5-7-9-11-21-35(39)42-34-20-15-14-19-33(34)38-36(40)31-24-29-22-27-17-12-13-18-28(27)23-30(29)25-32(31)37(38)41/h22-26,33-34H,3-21H2,1-2H3/t26-,33-,34-/m0/s1 |
| InChI Key | ODVPBRJZLRRWHT-XCSRUNNASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H51NO4 |
| Molecular Weight | 573.80 g/mol |
| Exact Mass | 573.38180911 g/mol |
| Topological Polar Surface Area (TPSA) | 63.70 Ų |
| XlogP | 11.20 |
| There are no found synonyms. |
![2D Structure of [(1S,2S)-2-(1,3-dioxo-6,7,8,9-tetrahydronaphtho[2,3-f]isoindol-2-yl)cyclohexyl] (12S)-12-methyltetradecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/f0a0ee90-86aa-11ee-99ea-c7fbaa12fd01.jpg "2D Structure of [(1S,2S)-2-(1,3-dioxo-6,7,8,9-tetrahydronaphtho[2,3-f]isoindol-2-yl)cyclohexyl] (12S)-12-methyltetradecanoate")
| 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 | 99.47% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.65% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 94.92% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.19% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.30% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.64% | 96.38% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.87% | 97.25% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.16% | 89.63% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 89.78% | 92.50% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.85% | 93.03% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 88.49% | 96.25% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.52% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.83% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.65% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.26% | 94.45% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 85.21% | 95.34% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.88% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.61% | 91.19% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.31% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.46% | 92.62% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.32% | 82.69% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.31% | 99.23% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.00% | 96.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.89% | 95.56% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.27% | 98.33% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.01% | 97.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.81% | 93.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.12% | 93.18% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162941855 |
| LOTUS | LTS0222100 |
| wikiData | Q105190069 |