6-[(1S,3R,8R,9aR)-8-hydroxy-1-(hydroxymethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]-1H-pyridin-2-one
| Internal ID | 267e093b-f0fb-47ac-a0ab-c53cdbb99e9c |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Lupinine-type alkaloids |
| IUPAC Name | 6-[(1S,3R,8R,9aR)-8-hydroxy-1-(hydroxymethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]-1H-pyridin-2-one |
| SMILES (Canonical) | C1CN2CC(CC(C2CC1O)CO)C3=CC=CC(=O)N3 |
| SMILES (Isomeric) | C1CN2C[C@@H](C[C@@H]([C@H]2C[C@@H]1O)CO)C3=CC=CC(=O)N3 |
| InChI | InChI=1S/C15H22N2O3/c18-9-11-6-10(13-2-1-3-15(20)16-13)8-17-5-4-12(19)7-14(11)17/h1-3,10-12,14,18-19H,4-9H2,(H,16,20)/t10-,11-,12-,14-/m1/s1 |
| InChI Key | VWDPENUHVPRBGL-HKUMRIAESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H22N2O3 |
| Molecular Weight | 278.35 g/mol |
| Exact Mass | 278.16304257 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | -0.10 |
| There are no found synonyms. |
![2D Structure of 6-[(1S,3R,8R,9aR)-8-hydroxy-1-(hydroxymethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]-1H-pyridin-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/0e066ea0-8727-11ee-b273-dba0f3819101.jpg "2D Structure of 6-[(1S,3R,8R,9aR)-8-hydroxy-1-(hydroxymethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]-1H-pyridin-2-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 | 96.06% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.55% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.27% | 96.09% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 93.13% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.20% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.65% | 94.45% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.90% | 93.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.06% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.79% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.53% | 93.99% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.32% | 90.08% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.49% | 97.25% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 83.41% | 88.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.38% | 100.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.93% | 83.82% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.85% | 99.23% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 81.44% | 96.03% |
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 | 21636115 |
| LOTUS | LTS0133695 |
| wikiData | Q105298030 |