[(1R,2S,4S,9R,10R)-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] hexanoate
| Internal ID | b1c06c89-37f3-4f7f-ad19-2544db15b3a8 |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Sparteine, lupanine, and related alkaloids |
| IUPAC Name | [(1R,2S,4S,9R,10R)-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] hexanoate |
| SMILES (Canonical) | CCCCCC(=O)OC1CCN2CC3CC(C2C1)CN4C3CCCC4=O |
| SMILES (Isomeric) | CCCCCC(=O)O[C@H]1CCN2C[C@H]3C[C@@H]([C@@H]2C1)CN4[C@@H]3CCCC4=O |
| InChI | InChI=1S/C21H34N2O3/c1-2-3-4-8-21(25)26-17-9-10-22-13-15-11-16(19(22)12-17)14-23-18(15)6-5-7-20(23)24/h15-19H,2-14H2,1H3/t15-,16-,17+,18-,19+/m1/s1 |
| InChI Key | IWKSNUCWADZDQR-FQBWVUSXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H34N2O3 |
| Molecular Weight | 362.50 g/mol |
| Exact Mass | 362.25694295 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of [(1R,2S,4S,9R,10R)-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] hexanoate](https://plantaedb.com/storage/docs/compounds/2023/11/1r2s4s9r10r-14-oxo-715-diazatetracyclo77102701015heptadecan-4-yl-hexanoate.jpg "2D Structure of [(1R,2S,4S,9R,10R)-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] hexanoate")
| 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 | 98.79% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.42% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.85% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.62% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 95.43% | 89.63% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 93.86% | 91.81% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 93.82% | 92.50% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 93.36% | 95.17% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 90.42% | 92.12% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.32% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.16% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.23% | 94.45% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.28% | 95.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.74% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.09% | 95.89% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.73% | 94.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.22% | 93.03% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 85.86% | 94.66% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.62% | 91.19% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.79% | 97.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.12% | 95.56% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.43% | 92.86% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.55% | 98.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.33% | 99.23% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.76% | 91.24% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.67% | 86.33% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 81.15% | 85.94% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.52% | 95.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.03% | 95.89% |
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 angustifolius |
| PubChem | 162872807 |
| LOTUS | LTS0200459 |
| wikiData | Q105121696 |