(1R,2R,9R,10R)-2-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
| Internal ID | bea319d1-2b65-4403-b68e-9dfb442e64a5 |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Sparteine, lupanine, and related alkaloids |
| IUPAC Name | (1R,2R,9R,10R)-2-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one |
| SMILES (Canonical) | COC12CCCC(=O)N1CC3CC2CN4C3CCCC4 |
| SMILES (Isomeric) | CO[C@@]12CCCC(=O)N1C[C@H]3C[C@@H]2CN4[C@@H]3CCCC4 |
| InChI | InChI=1S/C16H26N2O2/c1-20-16-7-4-6-15(19)18(16)10-12-9-13(16)11-17-8-3-2-5-14(12)17/h12-14H,2-11H2,1H3/t12-,13-,14-,16-/m1/s1 |
| InChI Key | BKGPLASQVXPYMX-IXYNUQLISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H26N2O2 |
| Molecular Weight | 278.39 g/mol |
| Exact Mass | 278.199428076 g/mol |
| Topological Polar Surface Area (TPSA) | 32.80 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of (1R,2R,9R,10R)-2-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/1r2r9r10r-2-methoxy-715-diazatetracyclo77102701015heptadecan-6-one.jpg "2D Structure of (1R,2R,9R,10R)-2-methoxy-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 93.50% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.03% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.98% | 96.09% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 90.17% | 94.78% |
| CHEMBL4235 | P28845 | 11-beta-hydroxysteroid dehydrogenase 1 | 89.72% | 97.98% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 89.27% | 93.04% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.20% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.92% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.46% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.91% | 94.45% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.91% | 95.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.00% | 94.00% |
| CHEMBL4608 | P33032 | Melanocortin receptor 5 | 83.27% | 97.00% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 82.99% | 99.29% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.92% | 97.14% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.40% | 92.50% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 82.04% | 96.25% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 82.02% | 94.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.97% | 93.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.61% | 90.71% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.59% | 100.00% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 81.29% | 94.66% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.26% | 92.94% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.83% | 94.75% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 80.60% | 94.08% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 80.58% | 98.99% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.11% | 95.53% |
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.
| Maackia amurensis |
| PubChem | 10707743 |
| LOTUS | LTS0092980 |
| wikiData | Q104937558 |