Methyl 3,8-dihydroxy-4,7-dimethoxy-1-methyl-9,10-dioxoanthracene-2-carboxylate
| Internal ID | 008880f1-0f12-414b-87b9-7d42171b274d |
| Taxonomy | Benzenoids > Anthracenes > Anthracenecarboxylic acids and derivatives > Anthracenecarboxylic acids |
| IUPAC Name | methyl 3,8-dihydroxy-4,7-dimethoxy-1-methyl-9,10-dioxoanthracene-2-carboxylate |
| SMILES (Canonical) | CC1=C2C(=C(C(=C1C(=O)OC)O)OC)C(=O)C3=C(C2=O)C(=C(C=C3)OC)O |
| SMILES (Isomeric) | CC1=C2C(=C(C(=C1C(=O)OC)O)OC)C(=O)C3=C(C2=O)C(=C(C=C3)OC)O |
| InChI | InChI=1S/C19H16O8/c1-7-10-13(18(26-3)17(23)11(7)19(24)27-4)14(20)8-5-6-9(25-2)15(21)12(8)16(10)22/h5-6,21,23H,1-4H3 |
| InChI Key | FHLCBPWFYAISKO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H16O8 |
| Molecular Weight | 372.30 g/mol |
| Exact Mass | 372.08451746 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 3.40 |
| 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 | 93.93% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.92% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.84% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.23% | 91.49% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.22% | 98.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 89.00% | 90.20% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.50% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.33% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.25% | 94.00% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 87.25% | 98.21% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 85.95% | 96.67% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.34% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.76% | 96.09% |
| CHEMBL5979 | P05186 | Alkaline phosphatase, tissue-nonspecific isozyme | 81.38% | 85.40% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.83% | 94.42% |
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.
| Gladiolus italicus |
| PubChem | 163007773 |
| LOTUS | LTS0204106 |
| wikiData | Q104995321 |