1-(1,3,6,8-Tetrabromo-4,7-dihydroxy-5-methoxy-9,10-dioxoanthracen-2-yl)propan-2-yl hydrogen sulfate
| Internal ID | 04cb8e53-8a5f-4df0-b526-12483e86b308 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
| IUPAC Name | 1-(1,3,6,8-tetrabromo-4,7-dihydroxy-5-methoxy-9,10-dioxoanthracen-2-yl)propan-2-yl hydrogen sulfate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H12Br4O9S/c1-4(31-32(27,28)29)3-5-10(19)6-8(16(25)11(5)20)15(24)9-7(14(6)23)12(21)17(26)13(22)18(9)30-2/h4,25-26H,3H2,1-2H3,(H,27,28,29) |
| InChI Key | CEGAMUFNYRJQCQ-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H12Br4O9S |
| Molecular Weight | 724.00 g/mol |
| Exact Mass | 723.68945 g/mol |
| Topological Polar Surface Area (TPSA) | 156.00 Ų |
| XlogP | 5.10 |
| 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 | 94.98% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.10% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.79% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.48% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.37% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.24% | 96.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.88% | 94.75% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 86.62% | 83.57% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.47% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.01% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.43% | 93.99% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.83% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.36% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.92% | 99.15% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 80.61% | 92.68% |
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 | 44605158 |
| LOTUS | LTS0078077 |
| wikiData | Q104955638 |