CID 122218959
| Internal ID | 28b6103c-7560-42b9-af09-fd5a565b5c01 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
| IUPAC Name | 1-(4,6-dihydroxy-2-methoxy-7-methyl-9,10-dioxoanthracen-1-yl)-4,6-dihydroxy-2-methoxy-7-methylanthracene-9,10-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H22O10/c1-11-5-13-15(7-17(11)33)29(37)23-19(35)9-21(41-3)25(27(23)31(13)39)26-22(42-4)10-20(36)24-28(26)32(40)14-6-12(2)18(34)8-16(14)30(24)38/h5-10,33-36H,1-4H3 |
| InChI Key | MFSGNCPTDXRYPN-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H22O10 |
| Molecular Weight | 566.50 g/mol |
| Exact Mass | 566.12129689 g/mol |
| Topological Polar Surface Area (TPSA) | 168.00 Ų |
| XlogP | 5.80 |
| 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 | 95.98% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.21% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.05% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.66% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.93% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.43% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.54% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.36% | 99.15% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.41% | 98.75% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.68% | 83.82% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.18% | 99.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.75% | 96.00% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 81.52% | 91.79% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.51% | 94.73% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.34% | 93.03% |
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 | 122218959 |
| LOTUS | LTS0069721 |
| wikiData | Q77504687 |