10-Ethyl-1-hydroxy-14-methyl-3-(4-methyl-5-oxooxolan-2-yl)-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadec-9(16)-en-13-one
| Internal ID | 72e9d7c7-05d5-4878-96ae-d30b321fbfca |
| Taxonomy | Alkaloids and derivatives > Stemona alkaloids > Stemoamide-type alkaloids > Stichoneurine-type alkaloids |
| IUPAC Name | 10-ethyl-1-hydroxy-14-methyl-3-(4-methyl-5-oxooxolan-2-yl)-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadec-9(16)-en-13-one |
| SMILES (Canonical) | CCC1C2C(C(C(=O)O2)C)C3(CC(N4C3=C1CCCC4)C5CC(C(=O)O5)C)O |
| SMILES (Isomeric) | CCC1C2C(C(C(=O)O2)C)C3(CC(N4C3=C1CCCC4)C5CC(C(=O)O5)C)O |
| InChI | InChI=1S/C22H31NO5/c1-4-13-14-7-5-6-8-23-15(16-9-11(2)20(24)27-16)10-22(26,19(14)23)17-12(3)21(25)28-18(13)17/h11-13,15-18,26H,4-10H2,1-3H3 |
| InChI Key | NRAYVMDGNDSGJU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H31NO5 |
| Molecular Weight | 389.50 g/mol |
| Exact Mass | 389.22022309 g/mol |
| Topological Polar Surface Area (TPSA) | 76.10 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of 10-Ethyl-1-hydroxy-14-methyl-3-(4-methyl-5-oxooxolan-2-yl)-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadec-9(16)-en-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/bbe71a20-8542-11ee-8072-719b52741087.jpg "2D Structure of 10-Ethyl-1-hydroxy-14-methyl-3-(4-methyl-5-oxooxolan-2-yl)-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadec-9(16)-en-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 | 99.42% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.62% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.98% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.05% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.51% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.04% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.37% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.14% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.34% | 95.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.30% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.90% | 94.45% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.82% | 94.66% |
| CHEMBL4072 | P07858 | Cathepsin B | 80.75% | 93.67% |
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 | 162910681 |
| LOTUS | LTS0163901 |
| wikiData | Q105184303 |