1-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,8-dihydroxy-6-methylanthracene-9,10-dione
| Internal ID | bb3e4f5e-85ca-427a-a653-cb3e22ffbd02 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
| IUPAC Name | 1-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,8-dihydroxy-6-methylanthracene-9,10-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H30O15/c1-8-2-10-16(12(31)3-8)21(35)17-11(18(10)32)4-9(30)5-13(17)39-27-25(23(37)20(34)15(7-29)41-27)42-26-24(38)22(36)19(33)14(6-28)40-26/h2-5,14-15,19-20,22-31,33-34,36-38H,6-7H2,1H3 |
| InChI Key | GMKFXGUNKWRWHE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H30O15 |
| Molecular Weight | 594.50 g/mol |
| Exact Mass | 594.15847025 g/mol |
| Topological Polar Surface Area (TPSA) | 253.00 Ų |
| XlogP | -0.70 |
| There are no found synonyms. |
![2D Structure of 1-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,8-dihydroxy-6-methylanthracene-9,10-dione](https://plantaedb.com/storage/docs/compounds/2023/11/3db71fd0-85fb-11ee-a978-83d9a6e3e355.jpg "2D Structure of 1-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,8-dihydroxy-6-methylanthracene-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.70% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.56% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.75% | 98.95% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 96.71% | 96.21% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.12% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.27% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.18% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.86% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.93% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.71% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.59% | 95.93% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.27% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.87% | 99.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.79% | 86.92% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.16% | 86.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.34% | 96.90% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.94% | 96.95% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.94% | 97.36% |
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.
| Senna alexandrina |
| PubChem | 163033419 |
| LOTUS | LTS0217037 |
| wikiData | Q105011955 |