(1S,2S,8R,15R)-15-hydroxy-13-oxa-7-azatetracyclo[6.5.2.01,10.02,7]pentadec-10-en-12-one
| Internal ID | c7ec0999-71ac-4965-b26c-c4fd35468a7d |
| Taxonomy | Organoheterocyclic compounds > Quinolizidines |
| IUPAC Name | (1S,2S,8R,15R)-15-hydroxy-13-oxa-7-azatetracyclo[6.5.2.01,10.02,7]pentadec-10-en-12-one |
| SMILES (Canonical) | C1CCN2C(C1)C34CC(C2CC3=CC(=O)O4)O |
| SMILES (Isomeric) | C1CCN2[C@@H](C1)[C@]34C[C@H]([C@H]2CC3=CC(=O)O4)O |
| InChI | InChI=1S/C13H17NO3/c15-10-7-13-8(6-12(16)17-13)5-9(10)14-4-2-1-3-11(13)14/h6,9-11,15H,1-5,7H2/t9-,10-,11+,13+/m1/s1 |
| InChI Key | SVHWKXNNRMAUAN-DCQANWLSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H17NO3 |
| Molecular Weight | 235.28 g/mol |
| Exact Mass | 235.12084340 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 0.20 |
| There are no found synonyms. |
![2D Structure of (1S,2S,8R,15R)-15-hydroxy-13-oxa-7-azatetracyclo[6.5.2.01,10.02,7]pentadec-10-en-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/1s2s8r15r-15-hydroxy-13-oxa-7-azatetracyclo6520110027pentadec-10-en-12-one.jpg "2D Structure of (1S,2S,8R,15R)-15-hydroxy-13-oxa-7-azatetracyclo[6.5.2.01,10.02,7]pentadec-10-en-12-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.16% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.29% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.73% | 91.11% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 93.29% | 93.04% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.76% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.53% | 97.25% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.27% | 95.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.29% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.28% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.03% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.74% | 95.89% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 85.56% | 94.78% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.87% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.75% | 99.23% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 82.77% | 86.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.06% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.34% | 94.45% |
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.
| Flueggea suffruticosa |
| PubChem | 44552365 |
| LOTUS | LTS0108261 |
| wikiData | Q105262026 |