[(2R,3R,4R,5R,6S)-5-hydroxy-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] (1S)-7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c]isochromene-1-carboxylate
| Internal ID | 161ed792-d593-4af4-b980-2e1409022ccb |
| Taxonomy | Lipids and lipid-like molecules > Saccharolipids |
| IUPAC Name | [(2R,3R,4R,5R,6S)-5-hydroxy-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] (1S)-7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c]isochromene-1-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H30O25/c41-15-1-10(2-16(42)26(15)49)35(55)60-9-23-33(63-39(59)14-8-22(48)32-25(14)24-13(38(58)62-32)7-21(47)29(52)30(24)53)34(64-36(56)11-3-17(43)27(50)18(44)4-11)31(54)40(61-23)65-37(57)12-5-19(45)28(51)20(46)6-12/h1-7,14,23,31,33-34,40-47,49-54H,8-9H2/t14-,23+,31+,33+,34+,40-/m0/s1 |
| InChI Key | SERARGSAQXIXJK-CQUIOFPRSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C40H30O25 |
| Molecular Weight | 910.60 g/mol |
| Exact Mass | 910.10761644 g/mol |
| Topological Polar Surface Area (TPSA) | 421.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of [(2R,3R,4R,5R,6S)-5-hydroxy-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] (1S)-7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c]isochromene-1-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/5f4c3080-8642-11ee-a0a5-db184121bfd8.jpg "2D Structure of [(2R,3R,4R,5R,6S)-5-hydroxy-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] (1S)-7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c]isochromene-1-carboxylate")
| 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 | 99.79% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.80% | 91.49% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 96.04% | 83.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.54% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.89% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.56% | 89.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.47% | 89.34% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.26% | 95.89% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 88.56% | 95.64% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.45% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.27% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.13% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.93% | 86.33% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.26% | 92.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.46% | 94.73% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 84.03% | 95.17% |
| CHEMBL3194 | P02766 | Transthyretin | 83.68% | 90.71% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.65% | 90.71% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.17% | 94.42% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.09% | 94.45% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 81.97% | 85.31% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.26% | 96.21% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.50% | 94.00% |
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.
| Euphorbia humifusa |
| PubChem | 162988597 |
| LOTUS | LTS0038465 |
| wikiData | Q105251435 |