(1R,3R,9R,10R,11S,14S,15S,16R)-10-ethyl-14-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one
| Internal ID | affa64da-416b-44e3-8379-3c207fed9903 |
| Taxonomy | Alkaloids and derivatives > Stemona alkaloids > Stemoamide-type alkaloids > Stichoneurine-type alkaloids |
| IUPAC Name | (1R,3R,9R,10R,11S,14S,15S,16R)-10-ethyl-14-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one |
| SMILES (Canonical) | CCC1C2CCCCN3C2C(CC3C4CC(C(=O)O4)C)C5C1OC(=O)C5C |
| SMILES (Isomeric) | CC[C@@H]1[C@H]2CCCCN3[C@H]2[C@H](C[C@@H]3[C@@H]4C[C@@H](C(=O)O4)C)[C@@H]5[C@H]1OC(=O)[C@H]5C |
| InChI | InChI=1S/C22H33NO4/c1-4-13-14-7-5-6-8-23-16(17-9-11(2)21(24)26-17)10-15(19(14)23)18-12(3)22(25)27-20(13)18/h11-20H,4-10H2,1-3H3/t11-,12-,13+,14+,15+,16+,17-,18+,19+,20-/m0/s1 |
| InChI Key | GYOGHROCTSEKDY-UNDWZADCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H33NO4 |
| Molecular Weight | 375.50 g/mol |
| Exact Mass | 375.24095853 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of (1R,3R,9R,10R,11S,14S,15S,16R)-10-ethyl-14-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/deed2810-82d1-11ee-9722-7b1c52108131.jpg "2D Structure of (1R,3R,9R,10R,11S,14S,15S,16R)-10-ethyl-14-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one")
| 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% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 93.76% | 91.76% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 93.28% | 93.04% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.49% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.34% | 98.95% |
| CHEMBL3974 | P25116 | Proteinase-activated receptor 1 | 90.69% | 97.78% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.61% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.40% | 85.14% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 86.27% | 86.00% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 85.64% | 95.27% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.93% | 96.43% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.24% | 92.50% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.53% | 97.05% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.33% | 95.50% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 81.16% | 99.29% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.54% | 94.78% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.22% | 95.56% |
| CHEMBL204 | P00734 | Thrombin | 80.21% | 96.01% |
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 phyllantha |
| Stemona sessilifolia |
| Stemona tuberosa |
| PubChem | 102086059 |
| LOTUS | LTS0054742 |
| wikiData | Q105023985 |