(1R,2S,3S,6R,10S)-2-ethyl-6-methyl-10-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-4-oxa-11-azatricyclo[9.4.1.03,7]hexadecane-5,8,16-trione
| Internal ID | 489ee202-aa8a-452d-b61f-54af31987d1e |
| Taxonomy | Organoheterocyclic compounds > Lactams > Caprolactams |
| IUPAC Name | (1R,2S,3S,6R,10S)-2-ethyl-6-methyl-10-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-4-oxa-11-azatricyclo[9.4.1.03,7]hexadecane-5,8,16-trione |
| SMILES (Canonical) | CCC1C2CCCCN(C2=O)C(CC(=O)C3C1OC(=O)C3C)C4CC(C(=O)O4)C |
| SMILES (Isomeric) | CC[C@H]1[C@H]2CCCCN(C2=O)[C@@H](CC(=O)C3[C@H]1OC(=O)[C@@H]3C)[C@@H]4C[C@@H](C(=O)O4)C |
| InChI | InChI=1S/C22H31NO6/c1-4-13-14-7-5-6-8-23(20(14)25)15(17-9-11(2)21(26)28-17)10-16(24)18-12(3)22(27)29-19(13)18/h11-15,17-19H,4-10H2,1-3H3/t11-,12+,13-,14+,15-,17-,18?,19-/m0/s1 |
| InChI Key | CHQGOWAOLJKTQX-BLMOURFMSA-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) | 90.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of (1R,2S,3S,6R,10S)-2-ethyl-6-methyl-10-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-4-oxa-11-azatricyclo[9.4.1.03,7]hexadecane-5,8,16-trione](https://plantaedb.com/storage/docs/compounds/2023/11/449b4c20-8544-11ee-9a30-ebf45f7bc783.jpg "2D Structure of (1R,2S,3S,6R,10S)-2-ethyl-6-methyl-10-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-4-oxa-11-azatricyclo[9.4.1.03,7]hexadecane-5,8,16-trione")
| 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 | 99.31% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.15% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.68% | 97.09% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 94.08% | 91.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.94% | 98.95% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 91.74% | 97.05% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.56% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.69% | 85.14% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.19% | 95.50% |
| CHEMBL228 | P31645 | Serotonin transporter | 82.38% | 95.51% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.15% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.93% | 94.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.65% | 93.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.46% | 92.94% |
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 sessilifolia |
| Stemona tuberosa |
| PubChem | 5322170 |
| LOTUS | LTS0093110 |
| wikiData | Q105102574 |