(6aS)-1,9-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10-diol
| Internal ID | d4a9ec18-0e01-4fa7-8ee6-0894cf27b1c6 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (6aS)-1,9-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10-diol |
| SMILES (Canonical) | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)O)OC)OC)O |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)O)OC)OC)O |
| InChI | InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-14(21)16(23-2)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1 |
| InChI Key | PQBKKPXFZHPMRG-ZDUSSCGKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H21NO4 |
| Molecular Weight | 327.40 g/mol |
| Exact Mass | 327.14705815 g/mol |
| Topological Polar Surface Area (TPSA) | 62.20 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of (6aS)-1,9-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10-diol](https://plantaedb.com/storage/docs/compounds/2023/11/6as-19-dimethoxy-6-methyl-566a7-tetrahydro-4h-dibenzodegquinoline-210-diol.jpg "2D Structure of (6aS)-1,9-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10-diol")
| 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 | 98.95% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 98.08% | 95.62% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 96.02% | 91.79% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 94.88% | 91.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.37% | 91.11% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 92.62% | 88.48% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 90.87% | 91.03% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.60% | 91.49% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.15% | 90.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.24% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.00% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.96% | 98.95% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 88.83% | 95.12% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.70% | 92.94% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.23% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.11% | 98.75% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.67% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.56% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.22% | 86.33% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.80% | 82.38% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 84.42% | 96.86% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.28% | 93.03% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 83.48% | 95.70% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.70% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.16% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.65% | 89.00% |
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.
| Liriodendron tulipifera |
| Papaver orientale |
| PubChem | 154496913 |
| LOTUS | LTS0113684 |
| wikiData | Q105213146 |