(6aR)-1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde
| Internal ID | 0f9e2c12-7843-4dcd-86ef-3a47745b8691 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (6aR)-1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde |
| SMILES (Canonical) | COC1=C(C(=C2C3=CC=CC=C3CC4C2=C1CCN4C=O)OC)OC |
| SMILES (Isomeric) | COC1=C(C(=C2C3=CC=CC=C3C[C@@H]4C2=C1CCN4C=O)OC)OC |
| InChI | InChI=1S/C20H21NO4/c1-23-18-14-8-9-21(11-22)15-10-12-6-4-5-7-13(12)17(16(14)15)19(24-2)20(18)25-3/h4-7,11,15H,8-10H2,1-3H3/t15-/m1/s1 |
| InChI Key | PUWKIVUPVPVBQB-OAHLLOKOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H21NO4 |
| Molecular Weight | 339.40 g/mol |
| Exact Mass | 339.14705815 g/mol |
| Topological Polar Surface Area (TPSA) | 48.00 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of (6aR)-1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/6ar-123-trimethoxy-566a7-tetrahydro-4h-dibenzodegquinoline-6-carbaldehyde.jpg "2D Structure of (6aR)-1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde")
| 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 | 97.76% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.74% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.97% | 95.56% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 92.87% | 91.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 91.73% | 95.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.03% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.32% | 91.11% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.64% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.26% | 90.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.33% | 93.40% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.28% | 98.75% |
| CHEMBL5028 | O14672 | ADAM10 | 80.54% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.36% | 99.23% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.02% | 96.67% |
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.
| Piper argyrophyllum |
| PubChem | 102445436 |
| LOTUS | LTS0054817 |
| wikiData | Q105215321 |