5,6,8-trihydroxy-3-methoxy-7-[(E)-3-oxohex-1-enyl]naphthalene-1,2-dione
| Internal ID | 46fe7abb-d3b3-43e5-8861-89104ffac524 |
| Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
| IUPAC Name | 5,6,8-trihydroxy-3-methoxy-7-[(E)-3-oxohex-1-enyl]naphthalene-1,2-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H16O7/c1-3-4-8(18)5-6-9-13(19)12-10(15(21)14(9)20)7-11(24-2)16(22)17(12)23/h5-7,19-21H,3-4H2,1-2H3/b6-5+ |
| InChI Key | FVZOCXPLUSPLSC-AATRIKPKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H16O7 |
| Molecular Weight | 332.30 g/mol |
| Exact Mass | 332.08960285 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of 5,6,8-trihydroxy-3-methoxy-7-[(E)-3-oxohex-1-enyl]naphthalene-1,2-dione](https://plantaedb.com/storage/docs/compounds/2023/11/568-trihydroxy-3-methoxy-7-e-3-oxohex-1-enylnaphthalene-12-dione.jpg "2D Structure of 5,6,8-trihydroxy-3-methoxy-7-[(E)-3-oxohex-1-enyl]naphthalene-1,2-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 | 97.95% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.79% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.44% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.61% | 95.56% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 90.31% | 92.68% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.06% | 94.45% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.98% | 89.63% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.79% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.29% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.91% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.65% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.68% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.13% | 99.17% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.47% | 94.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.37% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.47% | 96.95% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.36% | 96.90% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.09% | 97.21% |
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.
| There are no matching plants. |
| PubChem | 10903693 |
| LOTUS | LTS0019661 |
| wikiData | Q75057470 |