2-(4,8-dihydroxy-3-oxo-2,4-dihydro-1H-naphthalen-1-yl)-8-hydroxynaphthalene-1,4-dione
| Internal ID | 545df242-f9ac-43eb-abf0-9bbaf44d6b91 |
| Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
| IUPAC Name | 2-(4,8-dihydroxy-3-oxo-2,4-dihydro-1H-naphthalen-1-yl)-8-hydroxynaphthalene-1,4-dione |
| SMILES (Canonical) | C1C(C2=C(C=CC=C2O)C(C1=O)O)C3=CC(=O)C4=C(C3=O)C(=CC=C4)O |
| SMILES (Isomeric) | C1C(C2=C(C=CC=C2O)C(C1=O)O)C3=CC(=O)C4=C(C3=O)C(=CC=C4)O |
| InChI | InChI=1S/C20H14O6/c21-13-5-2-4-10-17(13)11(7-16(24)19(10)25)12-8-15(23)9-3-1-6-14(22)18(9)20(12)26/h1-6,8,11,19,21-22,25H,7H2 |
| InChI Key | DPGMBELUGAWLHC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H14O6 |
| Molecular Weight | 350.30 g/mol |
| Exact Mass | 350.07903816 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 1.90 |
| 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 | 98.36% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.16% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.26% | 83.82% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.67% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.16% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.02% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.35% | 93.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.27% | 89.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 87.91% | 95.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.71% | 96.09% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 86.39% | 96.67% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.38% | 99.15% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.81% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.90% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.37% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.58% | 98.75% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.12% | 96.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.35% | 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.
| Larix laricina |
| PubChem | 85189069 |
| LOTUS | LTS0074769 |
| wikiData | Q104986489 |