2-[(1S)-1-butoxyhexyl]-1,3,6,8-tetrahydroxyanthracene-9,10-dione
| Internal ID | 8084e45a-967a-471f-a034-4228890fb2d5 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
| IUPAC Name | 2-[(1S)-1-butoxyhexyl]-1,3,6,8-tetrahydroxyanthracene-9,10-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H28O7/c1-3-5-7-8-18(31-9-6-4-2)21-17(27)12-15-20(24(21)30)23(29)19-14(22(15)28)10-13(25)11-16(19)26/h10-12,18,25-27,30H,3-9H2,1-2H3/t18-/m0/s1 |
| InChI Key | HSMFYICJNKZPHP-SFHVURJKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H28O7 |
| Molecular Weight | 428.50 g/mol |
| Exact Mass | 428.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 5.30 |
| SCHEMBL23199087 |
![2D Structure of 2-[(1S)-1-butoxyhexyl]-1,3,6,8-tetrahydroxyanthracene-9,10-dione](https://plantaedb.com/storage/docs/compounds/2023/11/2-1s-1-butoxyhexyl-1368-tetrahydroxyanthracene-910-dione.jpg "2D Structure of 2-[(1S)-1-butoxyhexyl]-1,3,6,8-tetrahydroxyanthracene-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 | 99.17% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.79% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.67% | 91.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.22% | 99.17% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 93.78% | 96.12% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 93.55% | 93.31% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.54% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.61% | 90.71% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 92.22% | 92.68% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.60% | 89.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 89.24% | 96.21% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.78% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.18% | 86.33% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.88% | 97.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.50% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.40% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.66% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.09% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.05% | 96.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.76% | 91.71% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.12% | 95.17% |
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.
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| There are no matching plants. |
| PubChem | 70688904 |
| LOTUS | LTS0131698 |
| wikiData | Q105033118 |