1-[(6aS)-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl]ethanone
| Internal ID | 3629dcba-8385-451b-bc62-525f2860f3d4 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 1-[(6aS)-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl]ethanone |
| SMILES (Canonical) | CC(=O)N1CCC2=CC(=C(C3=C2C1CC4=CC=CC=C43)OC)OC |
| SMILES (Isomeric) | CC(=O)N1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC=CC=C43)OC)OC |
| InChI | InChI=1S/C20H21NO3/c1-12(22)21-9-8-14-11-17(23-2)20(24-3)19-15-7-5-4-6-13(15)10-16(21)18(14)19/h4-7,11,16H,8-10H2,1-3H3/t16-/m0/s1 |
| InChI Key | DSYUERSKJXONOW-INIZCTEOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H21NO3 |
| Molecular Weight | 323.40 g/mol |
| Exact Mass | 323.15214353 g/mol |
| Topological Polar Surface Area (TPSA) | 38.80 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of 1-[(6aS)-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl]ethanone](https://plantaedb.com/storage/docs/compounds/2023/11/1-6as-12-dimethoxy-566a7-tetrahydro-4h-dibenzodegquinolin-6-ylethanone.jpg "2D Structure of 1-[(6aS)-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl]ethanone")
| 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 | 99.07% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.44% | 98.95% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 95.41% | 95.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.08% | 91.11% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 93.88% | 91.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.02% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.92% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.76% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.71% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.36% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.23% | 97.21% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.15% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.70% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.74% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.47% | 97.14% |
| CHEMBL5028 | O14672 | ADAM10 | 83.49% | 97.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.99% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.57% | 85.14% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.57% | 96.39% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.45% | 93.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.34% | 82.69% |
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.
| Liriodendron tulipifera |
| Magnolia elegans |
| PubChem | 163022871 |
| LOTUS | LTS0275657 |
| wikiData | Q104988124 |