2-Ethyl-8-hydroxy-6-methyl-10-(4-methyl-5-oxooxolan-2-yl)-4-oxa-11-azatetracyclo[9.4.1.01,8.03,7]hexadecane-5,16-dione
| Internal ID | 797b3bb4-99cc-4c2d-8a97-5a6ae8a06322 |
| Taxonomy | Organoheterocyclic compounds > Lactams > Caprolactams |
| IUPAC Name | 2-ethyl-8-hydroxy-6-methyl-10-(4-methyl-5-oxooxolan-2-yl)-4-oxa-11-azatetracyclo[9.4.1.01,8.03,7]hexadecane-5,16-dione |
| SMILES (Canonical) | CCC1C2C(C(C(=O)O2)C)C3(C14CCCCN(C4=O)C(C3)C5CC(C(=O)O5)C)O |
| SMILES (Isomeric) | CCC1C2C(C(C(=O)O2)C)C3(C14CCCCN(C4=O)C(C3)C5CC(C(=O)O5)C)O |
| InChI | InChI=1S/C22H31NO6/c1-4-13-17-16(12(3)19(25)29-17)22(27)10-14(15-9-11(2)18(24)28-15)23-8-6-5-7-21(13,22)20(23)26/h11-17,27H,4-10H2,1-3H3 |
| InChI Key | YOBIPOVYJKVGIS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H31NO6 |
| Molecular Weight | 405.50 g/mol |
| Exact Mass | 405.21513771 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 1.80 |
| ethyl-hydroxy-methyl-(4-methyl-5-oxo-tetrahydrofuran-2-yl)[?]dione |
| 6,10a-Methanofuro[2',3':4,5]cyclopent[1,2-d]azonine-2,12(3H)-dione, 11-ethyldecahydro-3b-hydroxy-3-methyl-5-(tetrahydro-4-methyl-5-oxo-2-furanyl)- |
![2D Structure of 2-Ethyl-8-hydroxy-6-methyl-10-(4-methyl-5-oxooxolan-2-yl)-4-oxa-11-azatetracyclo[9.4.1.01,8.03,7]hexadecane-5,16-dione](https://plantaedb.com/storage/docs/compounds/2023/11/a11002b0-86f7-11ee-b42a-f912d7751847.jpg "2D Structure of 2-Ethyl-8-hydroxy-6-methyl-10-(4-methyl-5-oxooxolan-2-yl)-4-oxa-11-azatetracyclo[9.4.1.01,8.03,7]hexadecane-5,16-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.58% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.01% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.94% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.63% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.03% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.27% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.64% | 95.89% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.07% | 93.10% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.72% | 95.50% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.21% | 93.04% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.11% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.11% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.10% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.23% | 86.33% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 80.16% | 99.29% |
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.
| Stemona mairei |
| Stemona sessilifolia |
| Stemona tuberosa |
| PubChem | 496219 |
| LOTUS | LTS0037602 |
| wikiData | Q105351217 |