8-[6-[[3,5-Dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1-hydroxy-3-methylanthracene-9,10-dione
| Internal ID | f740a51d-2c2f-4e5c-888d-b30e67e91ed8 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | 8-[6-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1-hydroxy-3-methylanthracene-9,10-dione |
| SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O |
| InChI | InChI=1S/C33H40O19/c1-10-5-12-18(13(36)6-10)24(41)19-11(20(12)37)3-2-4-14(19)48-32-27(44)26(43)22(39)17(51-32)9-47-31-29(46)30(23(40)16(8-35)49-31)52-33-28(45)25(42)21(38)15(7-34)50-33/h2-6,15-17,21-23,25-36,38-40,42-46H,7-9H2,1H3 |
| InChI Key | ZERHAMSYQAGRIU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H40O19 |
| Molecular Weight | 740.70 g/mol |
| Exact Mass | 740.21637904 g/mol |
| Topological Polar Surface Area (TPSA) | 312.00 Ų |
| XlogP | -2.50 |
| There are no found synonyms. |
![2D Structure of 8-[6-[[3,5-Dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1-hydroxy-3-methylanthracene-9,10-dione](https://plantaedb.com/storage/docs/compounds/2023/11/326a80d0-8609-11ee-884f-fb8625e57ef2.jpg "2D Structure of 8-[6-[[3,5-Dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1-hydroxy-3-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.30% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.78% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.39% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.38% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.22% | 89.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.01% | 95.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.19% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.14% | 94.73% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 92.75% | 96.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.74% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.29% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.38% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.05% | 96.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.69% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.77% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.54% | 96.95% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.41% | 96.90% |
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 tora |
| PubChem | 162874028 |
| LOTUS | LTS0033483 |
| wikiData | Q105373558 |