(7R)-7-(4-hydroxy-3,5-dimethoxyphenyl)-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-dione
| Internal ID | aa5d3e89-39cc-447b-b8af-4c96807484f6 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones |
| IUPAC Name | (7R)-7-(4-hydroxy-3,5-dimethoxyphenyl)-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-dione |
| SMILES (Canonical) | COC1=CC(=CC(=C1O)OC)C2C3CCCN3C(=O)C4=C2C(=O)NC5=CC=CC=C54 |
| SMILES (Isomeric) | COC1=CC(=CC(=C1O)OC)[C@H]2C3CCCN3C(=O)C4=C2C(=O)NC5=CC=CC=C54 |
| InChI | InChI=1S/C23H22N2O5/c1-29-16-10-12(11-17(30-2)21(16)26)18-15-8-5-9-25(15)23(28)19-13-6-3-4-7-14(13)24-22(27)20(18)19/h3-4,6-7,10-11,15,18,26H,5,8-9H2,1-2H3,(H,24,27)/t15?,18-/m0/s1 |
| InChI Key | IWGANRXBUPWVLV-PKHIMPSTSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H22N2O5 |
| Molecular Weight | 406.40 g/mol |
| Exact Mass | 406.15287181 g/mol |
| Topological Polar Surface Area (TPSA) | 88.10 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of (7R)-7-(4-hydroxy-3,5-dimethoxyphenyl)-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-dione](https://plantaedb.com/storage/docs/compounds/2023/11/7r-7-4-hydroxy-35-dimethoxyphenyl-577a8910-hexahydroindolizino76-cquinoline-612-dione.jpg "2D Structure of (7R)-7-(4-hydroxy-3,5-dimethoxyphenyl)-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.30% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.99% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.61% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.16% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.68% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.17% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.86% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.59% | 93.99% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.76% | 92.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.64% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.30% | 95.89% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 92.29% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.94% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.54% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.76% | 93.03% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.58% | 92.62% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 86.23% | 99.18% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.92% | 94.00% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 85.79% | 92.97% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.03% | 89.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.15% | 90.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.50% | 97.05% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.32% | 86.33% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 80.51% | 92.67% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.07% | 96.21% |
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.
| Isatis tinctoria |
| PubChem | 102328974 |
| LOTUS | LTS0083628 |
| wikiData | Q105121599 |