1,4-Dihydroxy-2-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione
| Internal ID | a5c2637e-d31f-4f74-9fc5-c7a28bc12804 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | 1,4-dihydroxy-2-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione |
| SMILES (Canonical) | C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C4=C(C(=C3)O)C(=O)C5=CC=CC=C5C4=O)O)O)O)O)O)O)O |
| SMILES (Isomeric) | C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C4=C(C(=C3)O)C(=O)C5=CC=CC=C5C4=O)O)O)O)O)O)O)O |
| InChI | InChI=1S/C25H26O14/c26-10-5-12(19(31)15-14(10)16(28)8-3-1-2-4-9(8)17(15)29)38-25-23(35)21(33)20(32)13(39-25)7-37-24-22(34)18(30)11(27)6-36-24/h1-5,11,13,18,20-27,30-35H,6-7H2 |
| InChI Key | DDRYMWKSIFOIRW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H26O14 |
| Molecular Weight | 550.50 g/mol |
| Exact Mass | 550.13225550 g/mol |
| Topological Polar Surface Area (TPSA) | 233.00 Ų |
| XlogP | -1.00 |
| There are no found synonyms. |
![2D Structure of 1,4-Dihydroxy-2-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione](https://plantaedb.com/storage/docs/compounds/2023/11/4d822970-8611-11ee-be32-e3d2959a1d3e.jpg "2D Structure of 1,4-Dihydroxy-2-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyanthracene-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 | 99.72% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.28% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.63% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.67% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.30% | 95.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.80% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.92% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.30% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.86% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.46% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.95% | 99.15% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.87% | 97.09% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 86.60% | 95.83% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.69% | 89.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.89% | 95.89% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 83.32% | 95.64% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.80% | 99.23% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.37% | 96.67% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 80.99% | 83.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.33% | 96.00% |
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.
| Rubia yunnanensis |
| PubChem | 163006133 |
| LOTUS | LTS0186839 |
| wikiData | Q104976781 |