2-hydroxy-N-[3-hydroxy-14-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadec-4-en-2-yl]tricosanamide
| Internal ID | b82069b5-75e2-412c-9364-8934ad919f93 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 2-hydroxy-N-[3-hydroxy-14-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadec-4-en-2-yl]tricosanamide |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCCCCCCCC(C)CC)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCCCCCCCC(C)CC)O)O |
| InChI | InChI=1S/C46H89NO9/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-28-31-34-40(50)45(54)47-38(36-55-46-44(53)43(52)42(51)41(35-48)56-46)39(49)33-30-27-24-22-21-23-26-29-32-37(3)5-2/h30,33,37-44,46,48-53H,4-29,31-32,34-36H2,1-3H3,(H,47,54) |
| InChI Key | OOHBKXUIFCNQOB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C46H89NO9 |
| Molecular Weight | 800.20 g/mol |
| Exact Mass | 799.65373342 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | 13.50 |
| There are no found synonyms. |
![2D Structure of 2-hydroxy-N-[3-hydroxy-14-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadec-4-en-2-yl]tricosanamide](https://plantaedb.com/storage/docs/compounds/2023/11/5922dc70-85bd-11ee-9865-35b596f39059.jpg "2D Structure of 2-hydroxy-N-[3-hydroxy-14-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadec-4-en-2-yl]tricosanamide")
| 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 | 99.14% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.30% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 98.05% | 93.56% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 97.47% | 92.86% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.00% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.56% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.29% | 91.11% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 93.02% | 96.47% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.54% | 89.34% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.01% | 90.17% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 91.78% | 91.24% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 91.63% | 92.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 91.58% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.36% | 94.73% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.59% | 92.08% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 89.97% | 94.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.77% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.62% | 96.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 88.93% | 82.50% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 88.43% | 85.94% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 88.36% | 92.88% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.01% | 89.63% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.72% | 91.81% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 85.94% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.16% | 89.50% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 85.08% | 97.47% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.52% | 96.95% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 84.28% | 92.32% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.88% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.68% | 90.71% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.50% | 95.71% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.87% | 96.21% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.49% | 95.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.18% | 95.50% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 81.04% | 94.66% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 80.34% | 95.00% |
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.
| There are no matching plants. |
| PubChem | 74052787 |
| LOTUS | LTS0129175 |
| wikiData | Q105195378 |