methyl 1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate
| Internal ID | c9dbe32d-59a7-4087-998a-6716f581b3c2 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | methyl 1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate |
| SMILES (Canonical) | COC1=C(C2=C3C(CC4=CC(=C(C=C42)OC)OC)N(CCC3=C1)C(=O)OC)OC |
| SMILES (Isomeric) | COC1=C(C2=C3C(CC4=CC(=C(C=C42)OC)OC)N(CCC3=C1)C(=O)OC)OC |
| InChI | InChI=1S/C22H25NO6/c1-25-16-10-13-8-15-19-12(6-7-23(15)22(24)29-5)9-18(27-3)21(28-4)20(19)14(13)11-17(16)26-2/h9-11,15H,6-8H2,1-5H3 |
| InChI Key | DUJXEXZHKSKPIY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H25NO6 |
| Molecular Weight | 399.40 g/mol |
| Exact Mass | 399.16818752 g/mol |
| Topological Polar Surface Area (TPSA) | 66.50 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of methyl 1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-12910-tetramethoxy-566a7-tetrahydro-4h-dibenzodegquinoline-6-carboxylate.jpg "2D Structure of methyl 1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate")
| 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 | 99.19% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 95.34% | 95.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.51% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.24% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.13% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.16% | 95.56% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 88.09% | 96.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.89% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.43% | 90.00% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 86.83% | 91.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.71% | 91.19% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.76% | 92.94% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.18% | 93.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.66% | 85.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.31% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.04% | 89.00% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 82.32% | 95.12% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 82.23% | 91.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.99% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.91% | 90.71% |
| CHEMBL5028 | O14672 | ADAM10 | 81.81% | 97.50% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 80.15% | 92.38% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.13% | 97.14% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.04% | 93.40% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.04% | 91.03% |
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.
| Litsea cubeba |
| PubChem | 74951863 |
| LOTUS | LTS0080140 |
| wikiData | Q104989270 |