2-Hydroxy-4,4,9-trimethyl-3,12,14-trioxa-9-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),6,11(15),16-tetraene-5,8-dione
| Internal ID | 4faf2903-1737-4df5-a923-9b82477a7b77 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones |
| IUPAC Name | 2-hydroxy-4,4,9-trimethyl-3,12,14-trioxa-9-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),6,11(15),16-tetraene-5,8-dione |
| SMILES (Canonical) | CC1(C(=O)C=C2C(=O)N(C3=C(C2(O1)O)C=CC4=C3OCO4)C)C |
| SMILES (Isomeric) | CC1(C(=O)C=C2C(=O)N(C3=C(C2(O1)O)C=CC4=C3OCO4)C)C |
| InChI | InChI=1S/C16H15NO6/c1-15(2)11(18)6-9-14(19)17(3)12-8(16(9,20)23-15)4-5-10-13(12)22-7-21-10/h4-6,20H,7H2,1-3H3 |
| InChI Key | QKCLNULBUXINJN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H15NO6 |
| Molecular Weight | 317.29 g/mol |
| Exact Mass | 317.08993720 g/mol |
| Topological Polar Surface Area (TPSA) | 85.30 Ų |
| XlogP | 0.20 |
| There are no found synonyms. |
![2D Structure of 2-Hydroxy-4,4,9-trimethyl-3,12,14-trioxa-9-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),6,11(15),16-tetraene-5,8-dione](https://plantaedb.com/storage/docs/compounds/2023/11/fc837150-859f-11ee-a9ae-3f8fe69686e0.jpg "2D Structure of 2-Hydroxy-4,4,9-trimethyl-3,12,14-trioxa-9-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),6,11(15),16-tetraene-5,8-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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.85% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.04% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.62% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.67% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.74% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.52% | 91.49% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.44% | 93.40% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.59% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.86% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.39% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.44% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.67% | 100.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.82% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.45% | 99.23% |
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.
| Stauranthus perforatus |
| PubChem | 163105666 |
| LOTUS | LTS0207759 |
| wikiData | Q105223012 |