Rubrofusarin 6-[glucosyl-(1->3)-glucosyl-(1->6)-glucoside]
| Internal ID | a8c5a774-3199-4ab6-bd44-95e36de41b29 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | 6-[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-5-hydroxy-8-methoxy-2-methylbenzo[g]chromen-4-one |
| SMILES (Canonical) | CC1=CC(=O)C2=C(C3=C(C=C(C=C3C=C2O1)OC)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O |
| SMILES (Isomeric) | CC1=CC(=O)C2=C(C3=C(C=C(C=C3C=C2O1)OC)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O |
| InChI | InChI=1S/C33H42O20/c1-10-3-13(36)20-14(48-10)5-11-4-12(46-2)6-15(19(11)24(20)40)49-32-27(43)26(42)22(38)18(52-32)9-47-31-29(45)30(23(39)17(8-35)50-31)53-33-28(44)25(41)21(37)16(7-34)51-33/h3-6,16-18,21-23,25-35,37-45H,7-9H2,1-2H3 |
| InChI Key | HLSFLOGWAMZXNK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H42O20 |
| Molecular Weight | 758.70 g/mol |
| Exact Mass | 758.22694372 g/mol |
| Topological Polar Surface Area (TPSA) | 313.00 Ų |
| XlogP | -2.60 |
| CHEBI:172817 |
| 6-[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-5-hydroxy-8-methoxy-2-methylbenzo[g]chromen-4-one |
![2D Structure of Rubrofusarin 6-[glucosyl-(1->3)-glucosyl-(1->6)-glucoside]](https://plantaedb.com/storage/docs/compounds/2023/11/rubrofusarin-6-glucosyl-1-3-glucosyl-1-6-glucoside.jpg "2D Structure of Rubrofusarin 6-[glucosyl-(1->3)-glucosyl-(1->6)-glucoside]")
| 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 | 99.40% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.73% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.30% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.22% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.41% | 86.33% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.63% | 86.92% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.57% | 95.56% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 89.39% | 97.36% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.94% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.71% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.69% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.82% | 96.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 86.16% | 93.18% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.91% | 99.15% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.80% | 96.21% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 82.60% | 93.33% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.56% | 94.42% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.10% | 99.23% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.74% | 96.95% |
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 | 85229275 |
| LOTUS | LTS0049407 |
| wikiData | Q105030273 |