1,3-Dihydroxy-6-(3-methylbut-2-enoxy)anthracene-9,10-dione
| Internal ID | ae3643f3-85fd-41d3-b87c-3c5c95b1bd19 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
| IUPAC Name | 1,3-dihydroxy-6-(3-methylbut-2-enoxy)anthracene-9,10-dione |
| SMILES (Canonical) | CC(=CCOC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=C(C=C3O)O)C |
| SMILES (Isomeric) | CC(=CCOC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=C(C=C3O)O)C |
| InChI | InChI=1S/C19H16O5/c1-10(2)5-6-24-12-3-4-13-14(9-12)18(22)15-7-11(20)8-16(21)17(15)19(13)23/h3-5,7-9,20-21H,6H2,1-2H3 |
| InChI Key | AUAXHEYVPBWQNR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H16O5 |
| Molecular Weight | 324.30 g/mol |
| Exact Mass | 324.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 4.20 |
| 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 | 99.54% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.39% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.36% | 91.11% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 97.28% | 96.12% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 96.36% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.92% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.56% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.41% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.61% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.91% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.83% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.86% | 95.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.85% | 86.33% |
| CHEMBL240 | Q12809 | HERG | 87.78% | 89.76% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.31% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.15% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.63% | 96.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 83.41% | 90.24% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.87% | 96.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.77% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.12% | 99.23% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.87% | 93.10% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.04% | 93.40% |
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.
| Psorospermum adamauense |
| PubChem | 162998946 |
| LOTUS | LTS0183364 |
| wikiData | Q104918801 |