1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
| Internal ID | 284f76e3-d98c-4e03-8b85-5f6742d31202 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol |
| SMILES (Canonical) | COC1=C(C2=C3C(CC4=C2C(=C(C=C4)O)O)NCCC3=C1)OC |
| SMILES (Isomeric) | COC1=C(C2=C3C(CC4=C2C(=C(C=C4)O)O)NCCC3=C1)OC |
| InChI | InChI=1S/C18H19NO4/c1-22-13-8-10-5-6-19-11-7-9-3-4-12(20)17(21)15(9)16(14(10)11)18(13)23-2/h3-4,8,11,19-21H,5-7H2,1-2H3 |
| InChI Key | GYBZIPUTSFKFHR-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H19NO4 |
| Molecular Weight | 313.30 g/mol |
| Exact Mass | 313.13140809 g/mol |
| Topological Polar Surface Area (TPSA) | 71.00 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol](https://plantaedb.com/storage/docs/compounds/2023/11/12-dimethoxy-566a7-tetrahydro-4h-dibenzodegquinoline-1011-diol.jpg "2D Structure of 1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.14% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 98.68% | 93.99% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.47% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.60% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.88% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.84% | 97.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 90.93% | 95.62% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 90.21% | 92.68% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.08% | 92.94% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 89.33% | 91.79% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 88.93% | 88.48% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.71% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.67% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.91% | 90.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 87.89% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.34% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.04% | 94.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.22% | 89.62% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.90% | 91.03% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 85.67% | 91.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.64% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.19% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.76% | 98.75% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 81.47% | 98.11% |
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.
| Xylopia parviflora |
| PubChem | 90863813 |
| LOTUS | LTS0158651 |
| wikiData | Q105023559 |