(1S,2R,9R,10S,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one
| Internal ID | 4ff42f41-aae2-479a-8477-6bec4042ddbe |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Sparteine, lupanine, and related alkaloids |
| IUPAC Name | (1S,2R,9R,10S,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one |
| SMILES (Canonical) | C1CCN2C(C1)C3CC(C2=O)C4CC(CCN4C3)O |
| SMILES (Isomeric) | C1CCN2[C@H](C1)[C@H]3C[C@@H](C2=O)[C@@H]4C[C@H](CCN4C3)O |
| InChI | InChI=1S/C15H24N2O2/c18-11-4-6-16-9-10-7-12(14(16)8-11)15(19)17-5-2-1-3-13(10)17/h10-14,18H,1-9H2/t10-,11-,12+,13+,14-/m0/s1 |
| InChI Key | UGCQEPKCDSOOAO-QNSTZXKLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H24N2O2 |
| Molecular Weight | 264.36 g/mol |
| Exact Mass | 264.183778013 g/mol |
| Topological Polar Surface Area (TPSA) | 43.80 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of (1S,2R,9R,10S,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/1s2r9r10s12s-12-hydroxy-715-diazatetracyclo77102701015heptadecan-8-one.jpg "2D Structure of (1S,2R,9R,10S,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-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 |
|---|---|---|---|---|
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 94.89% | 91.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.51% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.38% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.08% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.39% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.67% | 95.89% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 88.11% | 96.03% |
| CHEMBL3023 | Q9NRA0 | Sphingosine kinase 2 | 86.77% | 95.61% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.98% | 93.03% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 85.73% | 94.78% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.05% | 95.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.88% | 93.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.49% | 95.56% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.00% | 98.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.90% | 90.71% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.75% | 96.43% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.58% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.48% | 91.11% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.38% | 97.05% |
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.
| Calpurnia aurea |
| Lupinus mexicanus |
| Lupinus verbasciformis |
| Virgilia divaricata |
| PubChem | 12444870 |
| LOTUS | LTS0206508 |
| wikiData | Q104250356 |