2-(5,10-Dihydroxy-2-methyl-1,4-dioxoanthracen-9-yl)-1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione
| Internal ID | eb3b7cbe-4c84-40e2-b2d8-53f209c08452 |
| Taxonomy | Lignans, neolignans and related compounds > Arylnaphthalene lignans |
| IUPAC Name | 2-(5,10-dihydroxy-2-methyl-1,4-dioxoanthracen-9-yl)-1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione |
| SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C(=C(C=C3C2=O)OC)C4=C5C(=C(C6=C4C=CC=C6O)O)C(=O)C=C(C5=O)C)O |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C(=C(C=C3C2=O)OC)C4=C5C(=C(C6=C4C=CC=C6O)O)C(=O)C=C(C5=O)C)O |
| InChI | InChI=1S/C31H20O9/c1-11-7-14-21(17(33)8-11)29(37)23-15(28(14)36)10-19(40-3)25(31(23)39)22-13-5-4-6-16(32)20(13)30(38)24-18(34)9-12(2)27(35)26(22)24/h4-10,32-33,38-39H,1-3H3 |
| InChI Key | RSRHRPXCPQMOSZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H20O9 |
| Molecular Weight | 536.50 g/mol |
| Exact Mass | 536.11073221 g/mol |
| Topological Polar Surface Area (TPSA) | 158.00 Ų |
| XlogP | 5.70 |
| 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 | 98.61% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.94% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.83% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.65% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.35% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.78% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.00% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.34% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 94.03% | 98.75% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.19% | 94.75% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 89.51% | 96.67% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.03% | 93.99% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.97% | 85.14% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.41% | 96.21% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.96% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.95% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.24% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.19% | 95.89% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 83.23% | 91.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.10% | 91.19% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.09% | 96.09% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.90% | 90.20% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.78% | 96.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.32% | 93.31% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.20% | 96.00% |
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.
| Senna didymobotrya |
| PubChem | 101995330 |
| LOTUS | LTS0128484 |
| wikiData | Q105244842 |