(1S,6S,9R,10R)-6-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-8-one
| Internal ID | 14a61963-db70-4a20-9d3c-621d9ed70401 |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Sparteine, lupanine, and related alkaloids |
| IUPAC Name | (1S,6S,9R,10R)-6-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-8-one |
| SMILES (Canonical) | C1CCN2CC3CC(C2C1)C(=O)N4C3=CCCC4O |
| SMILES (Isomeric) | C1CCN2C[C@@H]3C[C@H]([C@H]2C1)C(=O)N4C3=CCC[C@@H]4O |
| InChI | InChI=1S/C15H22N2O2/c18-14-6-3-5-12-10-8-11(15(19)17(12)14)13-4-1-2-7-16(13)9-10/h5,10-11,13-14,18H,1-4,6-9H2/t10-,11+,13+,14-/m0/s1 |
| InChI Key | JHXYFYGGFKMUPN-UNJBNNCHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H22N2O2 |
| Molecular Weight | 262.35 g/mol |
| Exact Mass | 262.168127949 g/mol |
| Topological Polar Surface Area (TPSA) | 43.80 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of (1S,6S,9R,10R)-6-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/1s6s9r10r-6-hydroxy-715-diazatetracyclo77102701015heptadec-2-en-8-one.jpg "2D Structure of (1S,6S,9R,10R)-6-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-8-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 |
|---|---|---|---|---|
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.11% | 93.40% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.03% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.24% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.83% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.77% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.12% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.80% | 96.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.31% | 93.03% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.98% | 92.94% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.75% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.43% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.77% | 82.69% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.41% | 93.04% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.28% | 92.50% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 80.96% | 91.76% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.33% | 90.24% |
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.
| Lupinus argenteus |
| Triticum aestivum |
| PubChem | 163011500 |
| LOTUS | LTS0090712 |
| wikiData | Q105002286 |