2-Methoxy-8-(7-methoxy-2-oxochromen-8-yl)-6-methylnaphthalene-1,4-dione
| Internal ID | e07b4cab-1fe5-431c-ae18-620634d3a686 |
| Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
| IUPAC Name | 2-methoxy-8-(7-methoxy-2-oxochromen-8-yl)-6-methylnaphthalene-1,4-dione |
| SMILES (Canonical) | CC1=CC(=C2C(=C1)C(=O)C=C(C2=O)OC)C3=C(C=CC4=C3OC(=O)C=C4)OC |
| SMILES (Isomeric) | CC1=CC(=C2C(=C1)C(=O)C=C(C2=O)OC)C3=C(C=CC4=C3OC(=O)C=C4)OC |
| InChI | InChI=1S/C22H16O6/c1-11-8-13-15(23)10-17(27-3)21(25)19(13)14(9-11)20-16(26-2)6-4-12-5-7-18(24)28-22(12)20/h4-10H,1-3H3 |
| InChI Key | GPGGGLOHXPWGDO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H16O6 |
| Molecular Weight | 376.40 g/mol |
| Exact Mass | 376.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 3.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.65% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.30% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.96% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.08% | 96.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.59% | 93.99% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 89.20% | 96.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.70% | 86.33% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 87.91% | 94.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.66% | 98.75% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.36% | 97.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.02% | 99.23% |
| CHEMBL2047 | Q96RI1 | Bile acid receptor FXR | 85.73% | 96.10% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.18% | 89.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.88% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.74% | 90.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.61% | 96.95% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 81.11% | 95.12% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 80.93% | 96.09% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 80.68% | 92.38% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.57% | 94.73% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.53% | 90.20% |
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.
| Citrus maxima |
| PubChem | 10429580 |
| LOTUS | LTS0219884 |
| wikiData | Q105014819 |