Methyl 2-(3-acetyl-4,5-dihydroxy-9,10-dioxoanthracen-2-yl)acetate
| Internal ID | 349a28c5-440a-4c28-a806-0322350f7d07 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | methyl 2-(3-acetyl-4,5-dihydroxy-9,10-dioxoanthracen-2-yl)acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H14O7/c1-8(20)14-9(7-13(22)26-2)6-11-16(18(14)24)19(25)15-10(17(11)23)4-3-5-12(15)21/h3-6,21,24H,7H2,1-2H3 |
| InChI Key | XJIJYLAICXTKPT-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H14O7 |
| Molecular Weight | 354.30 g/mol |
| Exact Mass | 354.07395278 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | 2.20 |
| AKOS004902742 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.14% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.71% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.42% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.40% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.24% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.22% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.18% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.32% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.17% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.66% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.41% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.05% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.74% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.98% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.24% | 91.19% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.78% | 96.67% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.58% | 99.15% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.37% | 96.38% |
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 | 2754656 |
| LOTUS | LTS0166661 |
| wikiData | Q105328984 |