(3S,4S)-3,4-dihydroxy-N-[(E,2R,3S,6R)-1,3,6-trihydroxypentadec-4-en-2-yl]pentacosanamide
| Internal ID | 46f01a7c-8308-4454-b208-7cc1fdc3e921 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines |
| IUPAC Name | (3S,4S)-3,4-dihydroxy-N-[(E,2R,3S,6R)-1,3,6-trihydroxypentadec-4-en-2-yl]pentacosanamide |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCCCCCC(C(CC(=O)NC(CO)C(C=CC(CCCCCCCCC)O)O)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCCCCC[C@@H]([C@H](CC(=O)N[C@H](CO)[C@H](/C=C/[C@@H](CCCCCCCCC)O)O)O)O |
| InChI | InChI=1S/C40H79NO6/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28-30-38(45)39(46)33-40(47)41-36(34-42)37(44)32-31-35(43)29-27-25-23-10-8-6-4-2/h31-32,35-39,42-46H,3-30,33-34H2,1-2H3,(H,41,47)/b32-31+/t35-,36-,37+,38+,39+/m1/s1 |
| InChI Key | DOYFZXNEBLNMRA-HVFVQDDKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H79NO6 |
| Molecular Weight | 670.10 g/mol |
| Exact Mass | 669.59073924 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 12.10 |
| There are no found synonyms. |
![2D Structure of (3S,4S)-3,4-dihydroxy-N-[(E,2R,3S,6R)-1,3,6-trihydroxypentadec-4-en-2-yl]pentacosanamide](https://plantaedb.com/storage/docs/compounds/2023/11/3s4s-34-dihydroxy-n-e2r3s6r-136-trihydroxypentadec-4-en-2-ylpentacosanamide.jpg "2D Structure of (3S,4S)-3,4-dihydroxy-N-[(E,2R,3S,6R)-1,3,6-trihydroxypentadec-4-en-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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 98.60% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.52% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.42% | 97.29% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.36% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.82% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 96.24% | 92.86% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.88% | 92.08% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 89.88% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.11% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.00% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.86% | 96.09% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.51% | 98.03% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.44% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 87.31% | 91.81% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 86.69% | 96.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 86.49% | 85.94% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.89% | 100.00% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 85.76% | 95.93% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.66% | 94.73% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.17% | 94.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.98% | 91.19% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 82.43% | 86.67% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.02% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.96% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.01% | 90.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.90% | 96.95% |
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.
| Tanacetum artemisioides |
| PubChem | 102173277 |
| LOTUS | LTS0127663 |
| wikiData | Q104986314 |