(6aR)-1-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10,11-triol
| Internal ID | 6fe60bf4-2af9-43b3-b782-eee0bfb54da5 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (6aR)-1-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10,11-triol |
| SMILES (Canonical) | CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)O)O)OC)O |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C3=C2[C@H]1CC4=C3C(=C(C=C4)O)O)OC)O |
| InChI | InChI=1S/C18H19NO4/c1-19-6-5-10-8-13(21)18(23-2)16-14(10)11(19)7-9-3-4-12(20)17(22)15(9)16/h3-4,8,11,20-22H,5-7H2,1-2H3/t11-/m1/s1 |
| InChI Key | FWLZPQXTGUAQNZ-LLVKDONJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H19NO4 |
| Molecular Weight | 313.30 g/mol |
| Exact Mass | 313.13140809 g/mol |
| Topological Polar Surface Area (TPSA) | 73.20 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (6aR)-1-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10,11-triol](https://plantaedb.com/storage/docs/compounds/2023/11/6ar-1-methoxy-6-methyl-566a7-tetrahydro-4h-dibenzodegquinoline-21011-triol.jpg "2D Structure of (6aR)-1-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10,11-triol")
| 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 | 98.63% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.60% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.12% | 91.11% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 97.44% | 95.62% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 95.41% | 91.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.31% | 93.99% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.98% | 93.40% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 90.92% | 91.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.41% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.07% | 95.56% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.49% | 91.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.83% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.73% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.09% | 95.89% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 85.02% | 88.48% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.87% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.16% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.52% | 94.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.19% | 89.62% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 82.05% | 96.76% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.94% | 86.33% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 80.31% | 95.70% |
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.
| Glaucium fimbrilligerum |
| PubChem | 163095492 |
| LOTUS | LTS0190934 |
| wikiData | Q105003395 |