(2R,7R,9S,9aR)-9-(hydroxymethyl)-7-(6-methoxypyridin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol
| Internal ID | 9ac99cb4-7fc8-4196-b449-5a42109a33ff |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Lupinine-type alkaloids |
| IUPAC Name | (2R,7R,9S,9aR)-9-(hydroxymethyl)-7-(6-methoxypyridin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol |
| SMILES (Canonical) | COC1=CC=CC(=N1)C2CC(C3CC(CCN3C2)O)CO |
| SMILES (Isomeric) | COC1=CC=CC(=N1)[C@@H]2C[C@@H]([C@H]3C[C@@H](CCN3C2)O)CO |
| InChI | InChI=1S/C16H24N2O3/c1-21-16-4-2-3-14(17-16)11-7-12(10-19)15-8-13(20)5-6-18(15)9-11/h2-4,11-13,15,19-20H,5-10H2,1H3/t11-,12-,13-,15-/m1/s1 |
| InChI Key | AUBPWGYRLJFNLY-RGCMKSIDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H24N2O3 |
| Molecular Weight | 292.37 g/mol |
| Exact Mass | 292.17869263 g/mol |
| Topological Polar Surface Area (TPSA) | 65.80 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.77% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.97% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.61% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.26% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.67% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.34% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.43% | 94.45% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.44% | 93.03% |
| CHEMBL3023 | Q9NRA0 | Sphingosine kinase 2 | 82.32% | 95.61% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.77% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.47% | 94.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.96% | 100.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.67% | 95.83% |
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.
| Plectranthus grandidentatus |
| Ulex australis |
| PubChem | 638703 |
| LOTUS | LTS0202836 |
| wikiData | Q105135614 |