(2R)-2-hydroxy-N-[(2S,3S,4R,14R)-1,3,4-trihydroxy-14-methylhexadecan-2-yl]docosanamide
| Internal ID | 503a52ac-f54e-487a-bdf7-949906e22eaf |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols |
| IUPAC Name | (2R)-2-hydroxy-N-[(2S,3S,4R,14R)-1,3,4-trihydroxy-14-methylhexadecan-2-yl]docosanamide |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(C(CCCCCCCCCC(C)CC)O)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCC[C@H](C)CC)O)O)O |
| InChI | InChI=1S/C39H79NO5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-29-32-37(43)39(45)40-35(33-41)38(44)36(42)31-28-25-23-20-21-24-27-30-34(3)5-2/h34-38,41-44H,4-33H2,1-3H3,(H,40,45)/t34-,35+,36-,37-,38+/m1/s1 |
| InChI Key | FMWWZJCZNAJTGR-GSPXPSQGSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C39H79NO5 |
| Molecular Weight | 642.00 g/mol |
| Exact Mass | 641.59582462 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 13.90 |
| There are no found synonyms. |
![2D Structure of (2R)-2-hydroxy-N-[(2S,3S,4R,14R)-1,3,4-trihydroxy-14-methylhexadecan-2-yl]docosanamide](https://plantaedb.com/storage/docs/compounds/2023/11/2r-2-hydroxy-n-2s3s4r14r-134-trihydroxy-14-methylhexadecan-2-yldocosanamide.jpg "2D Structure of (2R)-2-hydroxy-N-[(2S,3S,4R,14R)-1,3,4-trihydroxy-14-methylhexadecan-2-yl]docosanamide")
| 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 | 98.78% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 98.18% | 97.29% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 97.45% | 92.86% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.41% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.27% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.01% | 99.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.15% | 83.82% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 91.70% | 100.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 91.13% | 87.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.75% | 96.47% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.29% | 100.00% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 87.39% | 98.05% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.94% | 91.24% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.70% | 91.81% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.39% | 96.38% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.35% | 90.71% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.16% | 89.34% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.85% | 89.63% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.74% | 98.03% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 84.52% | 90.24% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.15% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.58% | 96.95% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 82.41% | 94.66% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.13% | 94.73% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.93% | 98.75% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.23% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.86% | 94.33% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 80.67% | 92.08% |
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 | 162996679 |
| LOTUS | LTS0110730 |
| wikiData | Q104998113 |