5-methoxy-1-methylspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,4'-cyclohexane]-1',6-diol
| Internal ID | d51bf268-b469-4e3f-85d7-5644681f20ac |
| Taxonomy | Organoheterocyclic compounds > Tetrahydroisoquinolines |
| IUPAC Name | 5-methoxy-1-methylspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,4'-cyclohexane]-1',6-diol |
| SMILES (Canonical) | CN1CCC2=CC(=C(C3=C2C1CCC34CCC(CC4)O)O)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C3=C2C1CCC34CCC(CC4)O)O)OC |
| InChI | InChI=1S/C19H27NO3/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/h11,13-14,21-22H,3-10H2,1-2H3 |
| InChI Key | XLVLBRPMJIIOTK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H27NO3 |
| Molecular Weight | 317.40 g/mol |
| Exact Mass | 317.19909372 g/mol |
| Topological Polar Surface Area (TPSA) | 52.90 Ų |
| XlogP | 2.60 |
| DTXSID601018755 |
![2D Structure of 5-methoxy-1-methylspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,4'-cyclohexane]-1',6-diol](https://plantaedb.com/storage/docs/compounds/2023/11/5-methoxy-1-methylspiro3899a-tetrahydro-2h-benzodequinoline-74-cyclohexane-16-diol.jpg "2D Structure of 5-methoxy-1-methylspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,4'-cyclohexane]-1',6-diol")
| 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 | 99.44% | 96.09% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 95.61% | 91.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.67% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.62% | 95.89% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.50% | 93.40% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.74% | 92.94% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 91.53% | 91.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.33% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.20% | 95.56% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 89.96% | 99.18% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 89.79% | 95.62% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 88.72% | 91.79% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.24% | 93.99% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.45% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.69% | 98.95% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 84.92% | 94.78% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.79% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.40% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.22% | 93.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.49% | 90.71% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 81.41% | 100.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.18% | 89.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.65% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.12% | 89.00% |
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.
| There are no matching plants. |
| PubChem | 23271908 |
| LOTUS | LTS0083055 |
| wikiData | Q105330426 |