1-[(6aS)-2-hydroxy-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl]ethanone
| Internal ID | 3003a29b-8bc1-4d21-83d7-febad1e5cb3f |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 1-[(6aS)-2-hydroxy-1-methoxy-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)O |
| SMILES (Isomeric) | CC(=O)N1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC=CC=C43)OC)O |
| InChI | InChI=1S/C19H19NO3/c1-11(21)20-8-7-13-10-16(22)19(23-2)18-14-6-4-3-5-12(14)9-15(20)17(13)18/h3-6,10,15,22H,7-9H2,1-2H3/t15-/m0/s1 |
| InChI Key | AZRHRVKHWMOTEP-HNNXBMFYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H19NO3 |
| Molecular Weight | 309.40 g/mol |
| Exact Mass | 309.13649347 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 1-[(6aS)-2-hydroxy-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl]ethanone](https://plantaedb.com/storage/docs/compounds/2023/11/1-6as-2-hydroxy-1-methoxy-566a7-tetrahydro-4h-dibenzodegquinolin-6-ylethanone.jpg "2D Structure of 1-[(6aS)-2-hydroxy-1-methoxy-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.85% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.60% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.30% | 98.95% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 96.21% | 95.62% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 94.48% | 91.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.72% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.20% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.10% | 91.49% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.12% | 96.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.99% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.67% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.27% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.15% | 91.19% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.90% | 97.21% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.94% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.65% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.63% | 99.23% |
| CHEMBL5028 | O14672 | ADAM10 | 81.92% | 97.50% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.68% | 93.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.39% | 82.69% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.11% | 95.89% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.68% | 96.39% |
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 |
| PubChem | 162992952 |
| LOTUS | LTS0137495 |
| wikiData | Q104921888 |