CID 138735254
| Internal ID | 6be30645-5417-441d-a21a-5ec665a4b90f |
| Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
| IUPAC Name | 6-hydroxy-5-(1-hydroxy-4-methoxy-3-oxo-2H-isoindol-1-yl)-2-methylnaphthalene-1,4-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H15NO6/c1-9-8-13(23)15-10(18(9)24)6-7-12(22)17(15)20(26)11-4-3-5-14(27-2)16(11)19(25)21-20/h3-8,22,26H,1-2H3,(H,21,25) |
| InChI Key | QSNWXSQFHZXSMV-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H15NO6 |
| Molecular Weight | 365.30 g/mol |
| Exact Mass | 365.08993720 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 1.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.12% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.11% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.04% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.88% | 94.75% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 91.88% | 96.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.40% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.26% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.16% | 98.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.93% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.08% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.52% | 96.09% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 87.44% | 90.24% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.99% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.83% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.03% | 89.00% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 83.24% | 91.79% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.29% | 95.89% |
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 | 138735254 |
| LOTUS | LTS0101882 |
| wikiData | Q105227171 |