(4R,6R)-4-hydroxy-6-[(2R,4S,6S)-2,4,6-trihydroxyhenicosyl]oxan-2-one
| Internal ID | a73f810f-e4dc-462c-92bd-ea0af19fa2ff |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | (4R,6R)-4-hydroxy-6-[(2R,4S,6S)-2,4,6-trihydroxyhenicosyl]oxan-2-one |
| SMILES (Canonical) | CCCCCCCCCCCCCCCC(CC(CC(CC1CC(CC(=O)O1)O)O)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCC[C@@H](C[C@@H](C[C@H](C[C@@H]1C[C@H](CC(=O)O1)O)O)O)O |
| InChI | InChI=1S/C26H50O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(27)16-22(28)17-23(29)18-25-19-24(30)20-26(31)32-25/h21-25,27-30H,2-20H2,1H3/t21-,22-,23+,24+,25+/m0/s1 |
| InChI Key | JZNFIVBUHKHIMV-UBCNIHEASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H50O6 |
| Molecular Weight | 458.70 g/mol |
| Exact Mass | 458.36073931 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 6.60 |
| There are no found synonyms. |
![2D Structure of (4R,6R)-4-hydroxy-6-[(2R,4S,6S)-2,4,6-trihydroxyhenicosyl]oxan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/4r6r-4-hydroxy-6-2r4s6s-246-trihydroxyhenicosyloxan-2-one.jpg "2D Structure of (4R,6R)-4-hydroxy-6-[(2R,4S,6S)-2,4,6-trihydroxyhenicosyl]oxan-2-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.27% | 98.95% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 94.99% | 98.03% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.79% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.79% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.77% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.40% | 99.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.36% | 97.79% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.79% | 97.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.50% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.89% | 97.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.47% | 100.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 86.52% | 89.63% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.63% | 90.71% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.15% | 92.08% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.67% | 92.86% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 84.54% | 85.94% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 83.86% | 91.81% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.11% | 96.47% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.33% | 95.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.55% | 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.
| Passiflora foetida |
| PubChem | 162864242 |
| LOTUS | LTS0207387 |
| wikiData | Q105137477 |