Methyl 1-hydroxy-3,6-dimethyl-9,10-dioxoanthracene-2-carboxylate
| Internal ID | 8a26a0c5-74f0-4f63-b523-fdee54b6a932 |
| Taxonomy | Benzenoids > Anthracenes > Anthracenecarboxylic acids and derivatives > Anthracenecarboxylic acids |
| IUPAC Name | methyl 1-hydroxy-3,6-dimethyl-9,10-dioxoanthracene-2-carboxylate |
| SMILES (Canonical) | CC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=C(C(=C3O)C(=O)OC)C |
| SMILES (Isomeric) | CC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=C(C(=C3O)C(=O)OC)C |
| InChI | InChI=1S/C18H14O5/c1-8-4-5-10-11(6-8)15(19)12-7-9(2)13(18(22)23-3)17(21)14(12)16(10)20/h4-7,21H,1-3H3 |
| InChI Key | LAYNEUFTXNURJW-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H14O5 |
| Molecular Weight | 310.30 g/mol |
| Exact Mass | 310.08412354 g/mol |
| Topological Polar Surface Area (TPSA) | 80.70 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.26% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.09% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.90% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.59% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.66% | 95.56% |
| CHEMBL260 | Q16539 | MAP kinase p38 alpha | 87.94% | 97.78% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.16% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.09% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.89% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.93% | 94.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 85.50% | 96.67% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.60% | 90.93% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.44% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.03% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.66% | 91.19% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 80.36% | 81.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.00% | 86.33% |
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.
| Hemerocallis fulva |
| PubChem | 101203813 |
| LOTUS | LTS0079295 |
| wikiData | Q105149088 |