[6-[3,5-Dihydroxy-2-[(6,10,10,14,15-pentamethyl-21-methylidene-25-oxo-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-9-yl)oxy]oxan-4-yl]oxy-3,4-dihydroxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methyl acetate
| Internal ID | 8a9488bc-d4a8-4fc0-8aff-9550a5a1a36b |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | [6-[3,5-dihydroxy-2-[(6,10,10,14,15-pentamethyl-21-methylidene-25-oxo-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-9-yl)oxy]oxan-4-yl]oxy-3,4-dihydroxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C48H72O18/c1-20-9-14-47-16-15-46(8)45(7)13-10-25-43(4,5)27(11-12-44(25,6)37(45)36-38(63-36)48(46,26(47)17-20)66-42(47)57)62-39-33(56)34(23(50)18-59-39)64-41-35(31(54)29(52)24(61-41)19-58-22(3)49)65-40-32(55)30(53)28(51)21(2)60-40/h21,23-41,50-56H,1,9-19H2,2-8H3 |
| InChI Key | LYWXZPBBKGMADN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C48H72O18 |
| Molecular Weight | 937.10 g/mol |
| Exact Mass | 936.47186544 g/mol |
| Topological Polar Surface Area (TPSA) | 262.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of [6-[3,5-Dihydroxy-2-[(6,10,10,14,15-pentamethyl-21-methylidene-25-oxo-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-9-yl)oxy]oxan-4-yl]oxy-3,4-dihydroxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/27ab6e80-8405-11ee-968f-1161afff51aa.jpg "2D Structure of [6-[3,5-Dihydroxy-2-[(6,10,10,14,15-pentamethyl-21-methylidene-25-oxo-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-9-yl)oxy]oxan-4-yl]oxy-3,4-dihydroxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methyl acetate")
| 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 | 97.59% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.29% | 96.09% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 96.00% | 95.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.58% | 98.95% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 94.26% | 97.36% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.73% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.61% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.52% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.45% | 89.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.32% | 93.04% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.96% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.65% | 95.89% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.58% | 96.61% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.50% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.04% | 94.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.77% | 95.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.62% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 84.60% | 97.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.98% | 94.45% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.77% | 94.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.45% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.09% | 97.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.08% | 92.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.36% | 82.69% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.29% | 91.07% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.27% | 95.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.04% | 95.89% |
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.
| Euptelea polyandra |
| PubChem | 85212319 |
| LOTUS | LTS0073063 |
| wikiData | Q105159656 |