2-(Butoxymethyl)-1,3-dihydroxyanthracene-9,10-dione
| Internal ID | 02ed4cc6-83e3-48c7-8876-8a7bf15569b0 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
| IUPAC Name | 2-(butoxymethyl)-1,3-dihydroxyanthracene-9,10-dione |
| SMILES (Canonical) | CCCCOCC1=C(C=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O |
| SMILES (Isomeric) | CCCCOCC1=C(C=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O |
| InChI | InChI=1S/C19H18O5/c1-2-3-8-24-10-14-15(20)9-13-16(19(14)23)18(22)12-7-5-4-6-11(12)17(13)21/h4-7,9,20,23H,2-3,8,10H2,1H3 |
| InChI Key | FRNAIFVSQNPEJB-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H18O5 |
| Molecular Weight | 326.30 g/mol |
| Exact Mass | 326.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 3.60 |
| 184916-39-0 |
| CHEMBL3930478 |
| DTXSID20775026 |
| 2-(butoxymethyl)-1,3-dihydroxy-anthracene-9,10-dione |
| 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 | 99.65% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.19% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.15% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.61% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.21% | 99.17% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 91.85% | 93.31% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.36% | 82.69% |
| CHEMBL240 | Q12809 | HERG | 91.15% | 89.76% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.00% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.63% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.11% | 96.09% |
| CHEMBL3180 | O00748 | Carboxylesterase 2 | 85.70% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.36% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.84% | 93.56% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.77% | 91.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.41% | 99.23% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.31% | 95.93% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 80.69% | 92.67% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.57% | 80.78% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.15% | 90.71% |
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.
| Galium sinaicum |
| Morinda angustifolia |
| Rubia tinctorum |
| PubChem | 71349161 |
| LOTUS | LTS0224226 |
| wikiData | Q82736372 |