(1R,5S,7S,8S,12S,18R)-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.15,8.015,18]nonadecane-3,9-dione
| Internal ID | 56747663-f497-49ea-b5a0-619755d85246 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (1R,5S,7S,8S,12S,18R)-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.15,8.015,18]nonadecane-3,9-dione |
| SMILES (Canonical) | CC1CC2(CC(=O)OC3CCN4C3C(CC4)COC(=O)C1(O2)C)C |
| SMILES (Isomeric) | C[C@H]1C[C@]2(CC(=O)O[C@@H]3CCN4[C@@H]3[C@H](CC4)COC(=O)[C@]1(O2)C)C |
| InChI | InChI=1S/C18H27NO5/c1-11-8-17(2)9-14(20)23-13-5-7-19-6-4-12(15(13)19)10-22-16(21)18(11,3)24-17/h11-13,15H,4-10H2,1-3H3/t11-,12+,13+,15+,17-,18-/m0/s1 |
| InChI Key | DNEINKNDPRUHLP-JDQHRARRSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H27NO5 |
| Molecular Weight | 337.40 g/mol |
| Exact Mass | 337.18892296 g/mol |
| Topological Polar Surface Area (TPSA) | 65.10 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of (1R,5S,7S,8S,12S,18R)-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.15,8.015,18]nonadecane-3,9-dione](https://plantaedb.com/storage/docs/compounds/2023/11/58197ec0-8689-11ee-820a-abf3d3b5a349.jpg "2D Structure of (1R,5S,7S,8S,12S,18R)-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.15,8.015,18]nonadecane-3,9-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 |
|---|---|---|---|---|
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.80% | 99.23% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.57% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.63% | 94.45% |
| CHEMBL1871 | P10275 | Androgen Receptor | 89.40% | 96.43% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.49% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.59% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.45% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.11% | 97.25% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 87.06% | 98.99% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.36% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.04% | 100.00% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 85.47% | 94.78% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.67% | 96.21% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.43% | 89.00% |
| CHEMBL240 | Q12809 | HERG | 83.83% | 89.76% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.51% | 93.00% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 82.98% | 95.27% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.48% | 82.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.58% | 91.11% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 80.92% | 98.46% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.91% | 95.53% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.32% | 94.66% |
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.
| Senecio nemorensis |
| PubChem | 162939726 |
| LOTUS | LTS0191890 |
| wikiData | Q104985509 |