7-Acetyl-1,7-dihydroxy-3-methoxy-5,6-dihydrocyclohepta[b]quinoline-8,11-dione
| Internal ID | 6aa92e71-515d-47fc-889a-4acf0eda574d |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones |
| IUPAC Name | 7-acetyl-1,7-dihydroxy-3-methoxy-5,6-dihydrocyclohepta[b]quinoline-8,11-dione |
| SMILES (Canonical) | CC(=O)C1(CC2=C(C=CC1=O)C(=O)C3=C(N2)C=C(C=C3O)OC)O |
| SMILES (Isomeric) | CC(=O)C1(CC2=C(C=CC1=O)C(=O)C3=C(N2)C=C(C=C3O)OC)O |
| InChI | InChI=1S/C17H15NO6/c1-8(19)17(23)7-12-10(3-4-14(17)21)16(22)15-11(18-12)5-9(24-2)6-13(15)20/h3-6,20,23H,7H2,1-2H3,(H,18,22) |
| InChI Key | WZOHXYYDJQQCTP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H15NO6 |
| Molecular Weight | 329.30 g/mol |
| Exact Mass | 329.08993720 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of 7-Acetyl-1,7-dihydroxy-3-methoxy-5,6-dihydrocyclohepta[b]quinoline-8,11-dione](https://plantaedb.com/storage/docs/compounds/2023/11/7-acetyl-17-dihydroxy-3-methoxy-56-dihydrocycloheptabquinoline-811-dione.jpg "2D Structure of 7-Acetyl-1,7-dihydroxy-3-methoxy-5,6-dihydrocyclohepta[b]quinoline-8,11-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.51% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.33% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.67% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.01% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.25% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.79% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.33% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.06% | 94.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.19% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.84% | 98.75% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.85% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.01% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.58% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.33% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.20% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.79% | 92.94% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.14% | 93.40% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 83.37% | 95.56% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 82.66% | 88.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.27% | 85.14% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 81.85% | 96.12% |
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.
| Citrus × aurantium |
| PubChem | 14684558 |
| LOTUS | LTS0147199 |
| wikiData | Q104396770 |