(1S,2R,3S,6R,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-one
| Internal ID | 4174a131-25ff-46d0-8909-1d3446350a67 |
| Taxonomy | Alkaloids and derivatives > Stemona alkaloids > Stemoamide-type alkaloids |
| IUPAC Name | (1S,2R,3S,6R,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-one |
| SMILES (Canonical) | CC1CC(OC1=O)C2CCC3N2CCCC4C3C(C(=O)O4)C |
| SMILES (Isomeric) | C[C@H]1C[C@H](OC1=O)[C@@H]2CC[C@@H]3N2CCC[C@@H]4[C@@H]3[C@@H](C(=O)O4)C |
| InChI | InChI=1S/C17H25NO4/c1-9-8-14(22-16(9)19)11-5-6-12-15-10(2)17(20)21-13(15)4-3-7-18(11)12/h9-15H,3-8H2,1-2H3/t9-,10-,11-,12-,13+,14-,15+/m0/s1 |
| InChI Key | HTLBMAZNGBFLEY-FICWEOCZSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C17H25NO4 |
| Molecular Weight | 307.40 g/mol |
| Exact Mass | 307.17835828 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of (1S,2R,3S,6R,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/fa451840-854d-11ee-8722-19e691993c5a.jpg "2D Structure of (1S,2R,3S,6R,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-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 | 95.51% | 97.25% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 88.56% | 86.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 87.03% | 93.04% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.73% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.14% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.12% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.23% | 98.95% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 84.83% | 91.76% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.39% | 93.40% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 84.13% | 94.66% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.51% | 91.49% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 83.49% | 98.46% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.49% | 96.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.39% | 95.89% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.75% | 97.05% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 81.65% | 99.18% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.57% | 96.09% |
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 japonica |
| Stemona pierrei |
| Stemona tuberosa |
| PubChem | 11174276 |
| LOTUS | LTS0053012 |
| wikiData | Q105033483 |