stearoyl(-2)Hex6Ac(?1-1?)Hex
| Internal ID | 5eb3520f-056e-44f8-aa06-09134ba26dc2 |
| Taxonomy | Lipids and lipid-like molecules > Saccharolipids > Acyltrehaloses |
| IUPAC Name | [6-(acetyloxymethyl)-4,5-dihydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] octadecanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCC(=O)OC1C(C(C(OC1OC2C(C(C(C(O2)CO)O)O)O)COC(=O)C)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCC(=O)OC1C(C(C(OC1OC2C(C(C(C(O2)CO)O)O)O)COC(=O)C)O)O |
| InChI | InChI=1S/C32H58O13/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(35)44-30-28(39)26(37)23(20-41-21(2)34)43-32(30)45-31-29(40)27(38)25(36)22(19-33)42-31/h22-23,25-33,36-40H,3-20H2,1-2H3 |
| InChI Key | SFXQGFQDGMHFCG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H58O13 |
| Molecular Weight | 650.80 g/mol |
| Exact Mass | 650.38774190 g/mol |
| Topological Polar Surface Area (TPSA) | 202.00 Ų |
| XlogP | 4.80 |
| 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 | 97.62% | 96.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 97.09% | 92.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.74% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.36% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.68% | 98.95% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 92.64% | 92.86% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 92.42% | 85.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.92% | 91.11% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.82% | 92.08% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.80% | 97.79% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 89.90% | 82.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.56% | 96.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.44% | 97.29% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 89.24% | 98.03% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.31% | 96.61% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.13% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.94% | 97.21% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.10% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.93% | 94.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.83% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.42% | 100.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.91% | 91.24% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.74% | 91.81% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.63% | 89.63% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.38% | 96.00% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 81.01% | 80.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.38% | 94.45% |
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.
| PubChem | 85149698 |
| LOTUS | LTS0186016 |
| wikiData | Q27464129 |