(2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxypentadecan-2-yl]pentacosanamide
| Internal ID | 5768b5cd-9a98-4ae6-ac2c-37052ee37f1b |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols |
| IUPAC Name | (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxypentadecan-2-yl]pentacosanamide |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(C(CCCCCCCCCCC)O)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCC)O)O)O |
| InChI | InChI=1S/C40H81NO5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-38(44)40(46)41-36(35-42)39(45)37(43)33-31-29-27-25-12-10-8-6-4-2/h36-39,42-45H,3-35H2,1-2H3,(H,41,46)/t36-,37+,38+,39-/m0/s1 |
| InChI Key | QLUFIBOCWIEUML-KSLZXYGFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H81NO5 |
| Molecular Weight | 656.10 g/mol |
| Exact Mass | 655.61147468 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 14.70 |
| There are no found synonyms. |
![2D Structure of (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxypentadecan-2-yl]pentacosanamide](https://plantaedb.com/storage/docs/compounds/2023/11/2r-2-hydroxy-n-2s3s4r-134-trihydroxypentadecan-2-ylpentacosanamide.jpg "2D Structure of (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxypentadecan-2-yl]pentacosanamide")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.48% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.33% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.92% | 97.29% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 96.81% | 92.86% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.87% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.69% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.41% | 93.56% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 89.15% | 91.81% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.52% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.86% | 100.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.40% | 91.24% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.64% | 92.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.53% | 89.63% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.20% | 98.03% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 84.22% | 87.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.70% | 96.47% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 83.32% | 98.05% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.28% | 96.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.62% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.30% | 94.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.87% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.83% | 94.73% |
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.
| Mortonia latisepala |
| PubChem | 15508081 |
| LOTUS | LTS0137296 |
| wikiData | Q105284271 |