(7S,9aR)-6-hydroxy-5-methoxy-1-methylspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,4'-cyclohex-2-ene]-1'-one
| Internal ID | be0e539a-9d6e-412f-bd9f-52b06018a1ab |
| Taxonomy | Organoheterocyclic compounds > Tetrahydroisoquinolines |
| IUPAC Name | (7S,9aR)-6-hydroxy-5-methoxy-1-methylspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,4'-cyclohex-2-ene]-1'-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H23NO3/c1-20-10-6-12-11-15(23-2)18(22)17-16(12)14(20)5-9-19(17)7-3-13(21)4-8-19/h3,7,11,14,22H,4-6,8-10H2,1-2H3/t14-,19-/m1/s1 |
| InChI Key | WJUUEQJJDGQOOB-AUUYWEPGSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H23NO3 |
| Molecular Weight | 313.40 g/mol |
| Exact Mass | 313.16779360 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of (7S,9aR)-6-hydroxy-5-methoxy-1-methylspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,4'-cyclohex-2-ene]-1'-one](https://plantaedb.com/storage/docs/compounds/2023/11/e8354710-8569-11ee-aa8e-5bcb3ff1ac96.jpg "2D Structure of (7S,9aR)-6-hydroxy-5-methoxy-1-methylspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,4'-cyclohex-2-ene]-1'-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.02% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.24% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.44% | 95.56% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 94.29% | 91.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.66% | 91.11% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 92.23% | 91.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.55% | 95.89% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 91.25% | 95.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.14% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.90% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.20% | 93.40% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 89.61% | 99.18% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.39% | 90.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.03% | 92.94% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.33% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.89% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.45% | 94.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.43% | 91.49% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.35% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.22% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.96% | 90.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.90% | 93.04% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.84% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.78% | 97.25% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 82.60% | 100.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.26% | 97.05% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.18% | 93.03% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.78% | 92.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.54% | 98.75% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.53% | 96.43% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.04% | 99.23% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 80.61% | 90.95% |
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.
| Pleione bulbocodioides |
| PubChem | 101278288 |
| LOTUS | LTS0165461 |
| wikiData | Q105307089 |