(6aR)-2,3,9,10-tetramethoxy-6-methyl-6-oxido-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1-ol
| Internal ID | 4b54d449-bbad-4130-925f-09b1bdf21385 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (6aR)-2,3,9,10-tetramethoxy-6-methyl-6-oxido-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1-ol |
| SMILES (Canonical) | C[N+]1(CCC2=C3C1CC4=CC(=C(C=C4C3=C(C(=C2OC)OC)O)OC)OC)[O-] |
| SMILES (Isomeric) | C[N+]1(CCC2=C3[C@H]1CC4=CC(=C(C=C4C3=C(C(=C2OC)OC)O)OC)OC)[O-] |
| InChI | InChI=1S/C21H25NO6/c1-22(24)7-6-12-17-14(22)8-11-9-15(25-2)16(26-3)10-13(11)18(17)19(23)21(28-5)20(12)27-4/h9-10,14,23H,6-8H2,1-5H3/t14-,22?/m1/s1 |
| InChI Key | OSXSNRJLKQQRJZ-HNNQXCQYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H25NO6 |
| Molecular Weight | 387.40 g/mol |
| Exact Mass | 387.16818752 g/mol |
| Topological Polar Surface Area (TPSA) | 75.20 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of (6aR)-2,3,9,10-tetramethoxy-6-methyl-6-oxido-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1-ol](https://plantaedb.com/storage/docs/compounds/2023/11/6ar-23910-tetramethoxy-6-methyl-6-oxido-566a7-tetrahydro-4h-dibenzodegquinolin-6-ium-1-ol.jpg "2D Structure of (6aR)-2,3,9,10-tetramethoxy-6-methyl-6-oxido-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 97.24% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.00% | 96.09% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 95.40% | 91.79% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.04% | 91.11% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 90.63% | 91.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.52% | 93.99% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.29% | 99.17% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 89.26% | 95.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.26% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.21% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.97% | 93.40% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 88.92% | 98.21% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.75% | 98.75% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 88.13% | 95.70% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.95% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.06% | 94.00% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 84.67% | 88.48% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 83.98% | 92.68% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.74% | 90.00% |
| CHEMBL4355 | O14976 | Serine/threonine-protein kinase GAK | 82.19% | 89.32% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.11% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.07% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.73% | 95.89% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 81.09% | 95.12% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 80.15% | 92.38% |
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.
| Thalictrum simplex |
| PubChem | 163188419 |
| LOTUS | LTS0105621 |
| wikiData | Q105199379 |