butyl (3R)-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5S)-3,4,5-triacetyloxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybutanoate
Internal ID | 66cdf29f-e844-47f6-937b-20a14fcd101f |
Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
IUPAC Name | butyl (3R)-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5S)-3,4,5-triacetyloxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybutanoate |
SMILES (Canonical) | CCCCOC(=O)CC(C)OC1C(C(C(C(O1)COC2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
SMILES (Isomeric) | CCCCOC(=O)C[C@@H](C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@H](CO2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
InChI | InChI=1S/C31H46O18/c1-9-10-11-39-24(38)12-15(2)42-31-29(48-21(8)37)27(46-19(6)35)25(44-17(4)33)23(49-31)14-41-30-28(47-20(7)36)26(45-18(5)34)22(13-40-30)43-16(3)32/h15,22-23,25-31H,9-14H2,1-8H3/t15-,22+,23-,25-,26+,27+,28-,29-,30+,31-/m1/s1 |
InChI Key | NTMCNXOHIKKBGQ-BKQCEYEPSA-N |
Popularity | 0 references in papers |
Molecular Formula | C31H46O18 |
Molecular Weight | 706.70 g/mol |
Exact Mass | 706.26841461 g/mol |
Topological Polar Surface Area (TPSA) | 221.00 Ų |
XlogP | 0.80 |
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 | 96.99% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.12% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 93.89% | 98.95% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.28% | 99.17% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.27% | 97.25% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 90.83% | 92.50% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 89.95% | 95.93% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 87.45% | 97.79% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.95% | 91.19% |
CHEMBL202 | P00374 | Dihydrofolate reductase | 86.75% | 89.92% |
CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.29% | 97.29% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.93% | 97.21% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.77% | 96.95% |
CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 84.79% | 80.33% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 84.38% | 95.17% |
CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 84.21% | 82.50% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.89% | 95.89% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.86% | 92.62% |
CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 83.57% | 83.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.11% | 97.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.06% | 94.45% |
CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.95% | 94.00% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.91% | 96.47% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.12% | 100.00% |
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.
Physalis peruviana |
PubChem | 163185458 |
LOTUS | LTS0058906 |
wikiData | Q105185511 |