27,29-Dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytriacontan-3-one
| Internal ID | eb41fd45-6fe4-47e9-9235-152d59e5055f |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 27,29-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytriacontan-3-one |
| SMILES (Canonical) | CC(CC(CCCCCCCCCCCCCCCCCCCCCCCC(=O)CCOC1C(C(C(C(O1)CO)O)O)O)O)O |
| SMILES (Isomeric) | CC(CC(CCCCCCCCCCCCCCCCCCCCCCCC(=O)CCOC1C(C(C(C(O1)CO)O)O)O)O)O |
| InChI | InChI=1S/C36H70O9/c1-29(38)27-31(40)24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-30(39)25-26-44-36-35(43)34(42)33(41)32(28-37)45-36/h29,31-38,40-43H,2-28H2,1H3 |
| InChI Key | BXSJJRMGKHORST-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H70O9 |
| Molecular Weight | 646.90 g/mol |
| Exact Mass | 646.50198381 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | 8.40 |
| There are no found synonyms. |
![2D Structure of 27,29-Dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytriacontan-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/2729-dihydroxy-1-345-trihydroxy-6-hydroxymethyloxan-2-yloxytriacontan-3-one.jpg "2D Structure of 27,29-Dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytriacontan-3-one")
| 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 | 98.75% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.19% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.80% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.29% | 98.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 93.23% | 96.47% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 90.30% | 94.45% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 88.40% | 92.50% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.66% | 83.82% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.51% | 94.73% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.09% | 97.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.95% | 93.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.95% | 96.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.83% | 97.25% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 83.31% | 98.10% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.99% | 95.89% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.35% | 91.24% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.30% | 89.05% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.91% | 100.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.73% | 94.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.64% | 94.33% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 74819048 |
| LOTUS | LTS0082901 |
| wikiData | Q104948218 |