2-Ethoxy-8-hydroxy-5-(1-hydroxy-3-methyl-5,8-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione
| Internal ID | 31d784b7-f56a-4c60-9109-35853fa1a085 |
| Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
| IUPAC Name | 2-ethoxy-8-hydroxy-5-(1-hydroxy-3-methyl-5,8-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione |
| SMILES (Canonical) | CCOC1=CC(=O)C2=C(C(=CC(=C2C1=O)O)C)C3=C(C4=C(C=C3C)C(=O)C=CC4=O)O |
| SMILES (Isomeric) | CCOC1=CC(=O)C2=C(C(=CC(=C2C1=O)O)C)C3=C(C4=C(C=C3C)C(=O)C=CC4=O)O |
| InChI | InChI=1S/C24H18O7/c1-4-31-17-9-16(28)21-18(11(3)8-15(27)22(21)23(17)29)19-10(2)7-12-13(25)5-6-14(26)20(12)24(19)30/h5-9,27,30H,4H2,1-3H3 |
| InChI Key | UTGDBQPSKXMONL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H18O7 |
| Molecular Weight | 418.40 g/mol |
| Exact Mass | 418.10525291 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.57% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.20% | 91.11% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 92.89% | 96.67% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.94% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.69% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.15% | 94.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.92% | 97.21% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 88.83% | 92.68% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.77% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.71% | 94.73% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.98% | 96.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.67% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.91% | 99.17% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.60% | 94.75% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.25% | 93.65% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.75% | 90.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.33% | 89.34% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.85% | 96.09% |
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.
| Diospyros maritima |
| PubChem | 163039696 |
| LOTUS | LTS0041438 |
| wikiData | Q105278752 |