[(2R)-3-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-[[(12R)-12-methyltetradecanoyl]oxymethyl]-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxypropyl] (14S)-14-methylhexadecanoate
| Internal ID | 4abe070c-2969-45b9-86ba-072fb2c84341 |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Glycosylglycerols > Glycosylmonoacylglycerols |
| IUPAC Name | [(2R)-3-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-[[(12R)-12-methyltetradecanoyl]oxymethyl]-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxypropyl] (14S)-14-methylhexadecanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C47H88O15/c1-5-33(3)25-21-17-13-9-7-8-10-15-19-23-27-38(50)57-30-35(49)31-59-46-44(56)45(62-47-43(55)42(54)40(52)36(29-48)60-47)41(53)37(61-46)32-58-39(51)28-24-20-16-12-11-14-18-22-26-34(4)6-2/h33-37,40-49,52-56H,5-32H2,1-4H3/t33-,34+,35-,36+,37+,40+,41+,42-,43-,44-,45-,46-,47+/m0/s1 |
| InChI Key | PAXYGFYZRDUVNE-TYSAYINTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C47H88O15 |
| Molecular Weight | 893.20 g/mol |
| Exact Mass | 892.61232210 g/mol |
| Topological Polar Surface Area (TPSA) | 231.00 Ų |
| XlogP | 9.70 |
| There are no found synonyms. |
![2D Structure of [(2R)-3-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-[[(12R)-12-methyltetradecanoyl]oxymethyl]-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxypropyl] (14S)-14-methylhexadecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/b1d98ff0-86a3-11ee-bc35-ed23dc846a98.jpg "2D Structure of [(2R)-3-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-[[(12R)-12-methyltetradecanoyl]oxymethyl]-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxypropyl] (14S)-14-methylhexadecanoate")
| 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 | 98.42% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.22% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.22% | 97.29% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 93.85% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.63% | 98.95% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 93.46% | 92.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.98% | 91.11% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.65% | 96.47% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.98% | 97.25% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.05% | 93.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.92% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.52% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.27% | 94.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.29% | 94.73% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.00% | 100.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 85.55% | 82.50% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 85.10% | 95.17% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.19% | 96.21% |
| CHEMBL1993 | P26358 | DNA (cytosine-5)-methyltransferase 1 | 83.13% | 95.44% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.42% | 94.45% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.12% | 91.24% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.16% | 95.89% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.84% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.24% | 90.71% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 80.23% | 85.94% |
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.
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| There are no matching plants. |
| PubChem | 162879895 |
| LOTUS | LTS0068423 |
| wikiData | Q105204943 |