(1R,2R,4S,9R,10S)-4-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
| Internal ID | 9ac9aa81-3001-40dc-95fe-c5009ccfdc1a |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Sparteine, lupanine, and related alkaloids |
| IUPAC Name | (1R,2R,4S,9R,10S)-4-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one |
| SMILES (Canonical) | C1CCN2CC3CC(C2C1)CN4C3CC(CC4=O)O |
| SMILES (Isomeric) | C1CCN2C[C@H]3C[C@@H]([C@@H]2C1)CN4[C@@H]3C[C@@H](CC4=O)O |
| InChI | InChI=1S/C15H24N2O2/c18-12-6-14-10-5-11(9-17(14)15(19)7-12)13-3-1-2-4-16(13)8-10/h10-14,18H,1-9H2/t10-,11-,12+,13+,14-/m1/s1 |
| InChI Key | GIQKWLHFWBBSSV-PEBLQZBPSA-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 | 0.60 |
| There are no found synonyms. |
![2D Structure of (1R,2R,4S,9R,10S)-4-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/1r2r4s9r10s-4-hydroxy-715-diazatetracyclo77102701015heptadecan-6-one.jpg "2D Structure of (1R,2R,4S,9R,10S)-4-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-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 | 93.38% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.66% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.91% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.20% | 95.89% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 87.74% | 91.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.47% | 96.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.51% | 93.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.39% | 95.56% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.30% | 95.50% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.94% | 93.04% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.71% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.87% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.56% | 90.71% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.20% | 97.28% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 82.58% | 96.03% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 82.35% | 94.78% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.73% | 98.33% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 81.28% | 99.29% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.98% | 93.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 80.89% | 98.10% |
| CHEMBL3023 | Q9NRA0 | Sphingosine kinase 2 | 80.69% | 95.61% |
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.
| Chamaecytisus supinus |
| Lupinus perennis |
| Melolobium stipulatum |
| Polhillia involucrata |
| Rafnia angulata |
| Rothia hirsuta |
| PubChem | 163061089 |
| LOTUS | LTS0204025 |
| wikiData | Q105009144 |