N-[(E,2S,3S,5S)-1,3,5-trihydroxyheptacos-9-en-2-yl]pentadecanamide
| Internal ID | 21fb5159-07b4-4040-be9e-62110aa57db8 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols |
| IUPAC Name | N-[(E,2S,3S,5S)-1,3,5-trihydroxyheptacos-9-en-2-yl]pentadecanamide |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCC=CCCCC(CC(C(CO)NC(=O)CCCCCCCCCCCCCC)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCC/C=C/CCC[C@@H](C[C@@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCC)O)O |
| InChI | InChI=1S/C42H83NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-39(45)37-41(46)40(38-44)43-42(47)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h27,29,39-41,44-46H,3-26,28,30-38H2,1-2H3,(H,43,47)/b29-27+/t39-,40-,41-/m0/s1 |
| InChI Key | GHLJTECRSRHVNW-GLCMIZEOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C42H83NO4 |
| Molecular Weight | 666.10 g/mol |
| Exact Mass | 665.63221013 g/mol |
| Topological Polar Surface Area (TPSA) | 89.80 Ų |
| XlogP | 15.40 |
| There are no found synonyms. |
![2D Structure of N-[(E,2S,3S,5S)-1,3,5-trihydroxyheptacos-9-en-2-yl]pentadecanamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-e2s3s5s-135-trihydroxyheptacos-9-en-2-ylpentadecanamide.jpg "2D Structure of N-[(E,2S,3S,5S)-1,3,5-trihydroxyheptacos-9-en-2-yl]pentadecanamide")
| 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 | 99.57% | 89.63% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 99.08% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.98% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.62% | 97.29% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 95.66% | 92.86% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.64% | 92.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.63% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.43% | 93.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.97% | 96.47% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.40% | 96.09% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 90.19% | 91.81% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.19% | 90.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.53% | 100.00% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 87.45% | 95.93% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 85.93% | 85.94% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.79% | 100.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 84.53% | 95.71% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.44% | 98.03% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 84.03% | 92.29% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.83% | 96.95% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.79% | 96.90% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.74% | 98.75% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.67% | 100.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 82.71% | 96.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.41% | 94.33% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 82.16% | 97.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.85% | 94.73% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 81.28% | 97.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.16% | 89.34% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.11% | 92.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.96% | 91.24% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.82% | 91.19% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.38% | 96.00% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 80.08% | 86.67% |
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.
| Erigeron canadensis |
| PubChem | 162845260 |
| LOTUS | LTS0088512 |
| wikiData | Q105008608 |