[(4R,6aS)-1-acetyloxy-2,10,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-4-yl] acetate
| Internal ID | 6bddb169-befb-448c-91c0-ee5ad8d26509 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | [(4R,6aS)-1-acetyloxy-2,10,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-4-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1CN(C2CC3=C(C4=C2C1=CC(=C4OC(=O)C)OC)C(=C(C=C3)OC)OC)C |
| SMILES (Isomeric) | CC(=O)O[C@H]1CN([C@H]2CC3=C(C4=C2C1=CC(=C4OC(=O)C)OC)C(=C(C=C3)OC)OC)C |
| InChI | InChI=1S/C24H27NO7/c1-12(26)31-19-11-25(3)16-9-14-7-8-17(28-4)23(30-6)20(14)22-21(16)15(19)10-18(29-5)24(22)32-13(2)27/h7-8,10,16,19H,9,11H2,1-6H3/t16-,19-/m0/s1 |
| InChI Key | WEDXHGNHMJCVAW-LPHOPBHVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H27NO7 |
| Molecular Weight | 441.50 g/mol |
| Exact Mass | 441.17875220 g/mol |
| Topological Polar Surface Area (TPSA) | 83.50 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of [(4R,6aS)-1-acetyloxy-2,10,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-4-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/524cdda0-8759-11ee-94d7-45fe07ad41f8.jpg "2D Structure of [(4R,6aS)-1-acetyloxy-2,10,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-4-yl] acetate")
| 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 | 99.54% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 98.34% | 95.62% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 94.11% | 91.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.41% | 98.95% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 90.94% | 96.76% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.34% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.60% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.81% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.38% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.01% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.87% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.32% | 98.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.02% | 89.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.79% | 93.99% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.71% | 91.11% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.16% | 89.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.59% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.37% | 95.89% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.08% | 100.00% |
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.
| Glaucium fimbrilligerum |
| PubChem | 162921008 |
| LOTUS | LTS0096632 |
| wikiData | Q105302921 |