butyl (3S)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybutanoate
Internal ID | 4640e846-9577-4e0c-b3ab-3f57b4c8a665 |
Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
IUPAC Name | butyl (3S)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybutanoate |
SMILES (Canonical) | CCCCOC(=O)CC(C)OC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O |
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)O)O)O)O)O)O |
InChI | InChI=1S/C19H34O12/c1-3-4-5-27-12(21)6-9(2)30-19-17(26)15(24)14(23)11(31-19)8-29-18-16(25)13(22)10(20)7-28-18/h9-11,13-20,22-26H,3-8H2,1-2H3/t9-,10-,11+,13-,14+,15-,16+,17+,18-,19+/m0/s1 |
InChI Key | MLIAQAVEASULJH-CIRMENPFSA-N |
Popularity | 0 references in papers |
Molecular Formula | C19H34O12 |
Molecular Weight | 454.50 g/mol |
Exact Mass | 454.20502652 g/mol |
Topological Polar Surface Area (TPSA) | 185.00 Ų |
XlogP | -2.60 |
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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.37% | 96.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.18% | 97.25% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 95.92% | 95.93% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.23% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 94.30% | 98.95% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.13% | 99.17% |
CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 89.00% | 80.33% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.51% | 97.09% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.23% | 96.47% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.12% | 97.21% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.85% | 92.50% |
CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 86.51% | 82.50% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.28% | 90.71% |
CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 84.50% | 94.00% |
CHEMBL5957 | P21589 | 5'-nucleotidase | 84.17% | 97.78% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.30% | 93.56% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.98% | 96.61% |
CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 82.96% | 92.32% |
CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.72% | 97.29% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.44% | 95.89% |
CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 82.22% | 92.86% |
CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 81.21% | 85.94% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.79% | 94.33% |
CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.63% | 96.00% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.23% | 100.00% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.20% | 96.00% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.11% | 96.95% |
CHEMBL3401 | O75469 | Pregnane X receptor | 80.09% | 94.73% |
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 | 23638289 |
LOTUS | LTS0015075 |
wikiData | Q105166679 |