Hex(?1-4)Hex(?1-4)3-deoxy-Oct2ulo-onic
| Internal ID | 2fe481ab-5468-4005-867f-ff94197a26a3 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 6-(1,2-dihydroxyethyl)-4-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxyoxane-2-carboxylic acid |
| SMILES (Canonical) | C1C(C(C(OC1(C(=O)O)O)C(CO)O)O)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O |
| SMILES (Isomeric) | C1C(C(C(OC1(C(=O)O)O)C(CO)O)O)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O |
| InChI | InChI=1S/C20H34O18/c21-2-5(24)15-10(26)6(1-20(33,38-15)19(31)32)34-17-14(30)12(28)16(8(4-23)36-17)37-18-13(29)11(27)9(25)7(3-22)35-18/h5-18,21-30,33H,1-4H2,(H,31,32) |
| InChI Key | YCNWLQNQAGABDQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O18 |
| Molecular Weight | 562.50 g/mol |
| Exact Mass | 562.17451423 g/mol |
| Topological Polar Surface Area (TPSA) | 306.00 Ų |
| XlogP | -6.60 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 97.33% | 96.61% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.47% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.18% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.21% | 90.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.33% | 83.82% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 85.64% | 92.29% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.50% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.18% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.57% | 97.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.09% | 91.19% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.92% | 85.14% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.89% | 96.95% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.58% | 91.24% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.98% | 98.95% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 81.64% | 92.32% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.75% | 92.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.66% | 100.00% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 80.35% | 92.78% |
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.
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| There are no matching plants. |
| PubChem | 163026918 |
| LOTUS | LTS0015252 |
| wikiData | Q105346375 |