(1R,3E,5S,7S,10E,12R,15R,16R,17R)-10,14,15-trimethyl-17-(2-methylpropyl)-6-oxa-18-azatetracyclo[10.7.0.01,16.05,7]nonadeca-3,10,13-triene-2,19-dione
| Internal ID | b1551fcf-a273-4e97-b2e5-4eea5da703d2 |
| Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives |
| IUPAC Name | (1R,3E,5S,7S,10E,12R,15R,16R,17R)-10,14,15-trimethyl-17-(2-methylpropyl)-6-oxa-18-azatetracyclo[10.7.0.01,16.05,7]nonadeca-3,10,13-triene-2,19-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H33NO3/c1-13(2)10-18-22-16(5)15(4)12-17-11-14(3)6-7-19-20(28-19)8-9-21(26)24(17,22)23(27)25-18/h8-9,11-13,16-20,22H,6-7,10H2,1-5H3,(H,25,27)/b9-8+,14-11+/t16-,17+,18+,19-,20-,22-,24-/m0/s1 |
| InChI Key | NFYGZSNXSYEZCY-KLFYFFCISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H33NO3 |
| Molecular Weight | 383.50 g/mol |
| Exact Mass | 383.24604391 g/mol |
| Topological Polar Surface Area (TPSA) | 58.70 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of (1R,3E,5S,7S,10E,12R,15R,16R,17R)-10,14,15-trimethyl-17-(2-methylpropyl)-6-oxa-18-azatetracyclo[10.7.0.01,16.05,7]nonadeca-3,10,13-triene-2,19-dione](https://plantaedb.com/storage/docs/compounds/2023/11/b7af5a30-8607-11ee-a42f-3362b9e81554.jpg "2D Structure of (1R,3E,5S,7S,10E,12R,15R,16R,17R)-10,14,15-trimethyl-17-(2-methylpropyl)-6-oxa-18-azatetracyclo[10.7.0.01,16.05,7]nonadeca-3,10,13-triene-2,19-dione")
| 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 | 96.50% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.42% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.55% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.27% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.11% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.74% | 91.11% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 90.99% | 86.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.62% | 97.79% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.30% | 90.71% |
| CHEMBL4072 | P07858 | Cathepsin B | 86.93% | 93.67% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.69% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.09% | 89.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.07% | 96.47% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.91% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.17% | 93.40% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.64% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.60% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.45% | 95.89% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.06% | 88.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.59% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.37% | 94.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.10% | 93.18% |
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.
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| There are no matching plants. |
| PubChem | 162989852 |
| LOTUS | LTS0199542 |
| wikiData | Q105178756 |