Glc(b1-6)Glc(b1-4)1,3,5-deoxy-keto-D-groPen2ulo
| Internal ID | 3d9066b5-7c6d-4266-959d-1133b2f56559 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | (4R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypentan-2-one |
| SMILES (Canonical) | CC(CC(=O)C)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O |
| SMILES (Isomeric) | C[C@H](CC(=O)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O |
| InChI | InChI=1S/C17H30O12/c1-6(19)3-7(2)27-17-15(25)13(23)11(21)9(29-17)5-26-16-14(24)12(22)10(20)8(4-18)28-16/h7-18,20-25H,3-5H2,1-2H3/t7-,8-,9-,10-,11-,12+,13+,14-,15-,16-,17-/m1/s1 |
| InChI Key | MKHQCEBFFUHHRN-QLFKGARUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H30O12 |
| Molecular Weight | 426.40 g/mol |
| Exact Mass | 426.17372639 g/mol |
| Topological Polar Surface Area (TPSA) | 196.00 Ų |
| XlogP | -4.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.57% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.90% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.67% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.50% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.26% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.93% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.85% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.73% | 95.89% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 86.47% | 82.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.96% | 96.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.60% | 96.47% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.06% | 94.73% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.05% | 86.92% |
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.
| Crescentia cujete |
| PubChem | 101938893 |
| LOTUS | LTS0033493 |
| wikiData | Q105166000 |