[5-Acetyloxy-6-[5-acetyloxy-2-(6-dodecoxy-4,5-dihydroxy-2-methyloxan-3-yl)oxy-3-hydroxy-6-methyloxan-4-yl]oxy-4-hydroxy-2-methyloxan-3-yl] acetate
| Internal ID | 98feb07c-8af3-4d7a-ab10-a6a5a84b3b9b |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | [5-acetyloxy-6-[5-acetyloxy-2-(6-dodecoxy-4,5-dihydroxy-2-methyloxan-3-yl)oxy-3-hydroxy-6-methyloxan-4-yl]oxy-4-hydroxy-2-methyloxan-3-yl] acetate |
| SMILES (Canonical) | CCCCCCCCCCCCOC1C(C(C(C(O1)C)OC2C(C(C(C(O2)C)OC(=O)C)OC3C(C(C(C(O3)C)OC(=O)C)O)OC(=O)C)O)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCOC1C(C(C(C(O1)C)OC2C(C(C(C(O2)C)OC(=O)C)OC3C(C(C(C(O3)C)OC(=O)C)O)OC(=O)C)O)O)O |
| InChI | InChI=1S/C36H62O16/c1-8-9-10-11-12-13-14-15-16-17-18-44-34-26(41)25(40)29(19(2)45-34)51-35-28(43)32(31(21(4)46-35)49-23(6)38)52-36-33(50-24(7)39)27(42)30(20(3)47-36)48-22(5)37/h19-21,25-36,40-43H,8-18H2,1-7H3 |
| InChI Key | DFGWXZRIFMDDNA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H62O16 |
| Molecular Weight | 750.90 g/mol |
| Exact Mass | 750.40378589 g/mol |
| Topological Polar Surface Area (TPSA) | 215.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of [5-Acetyloxy-6-[5-acetyloxy-2-(6-dodecoxy-4,5-dihydroxy-2-methyloxan-3-yl)oxy-3-hydroxy-6-methyloxan-4-yl]oxy-4-hydroxy-2-methyloxan-3-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/c588bfe0-85c4-11ee-afc7-3d504ed1c5b8.jpg "2D Structure of [5-Acetyloxy-6-[5-acetyloxy-2-(6-dodecoxy-4,5-dihydroxy-2-methyloxan-3-yl)oxy-3-hydroxy-6-methyloxan-4-yl]oxy-4-hydroxy-2-methyloxan-3-yl] 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.24% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.22% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.37% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.24% | 91.11% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.49% | 97.29% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.35% | 92.08% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.30% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.62% | 94.73% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.04% | 92.50% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 84.49% | 90.24% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.69% | 92.86% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.39% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.27% | 89.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.80% | 94.33% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 81.36% | 81.11% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 81.18% | 87.67% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.05% | 100.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.04% | 97.36% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 80.81% | 85.94% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.49% | 95.89% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.20% | 91.81% |
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.
| Cleistopholis patens |
| PubChem | 72993028 |
| LOTUS | LTS0096009 |
| wikiData | Q104977855 |