N-[(E,2R,3S)-1,3-dihydroxyhenicos-4-en-2-yl]acetamide
| Internal ID | 31ad1d32-e141-4d64-a0c6-1174e613f1a6 |
| Taxonomy | Lipids and lipid-like molecules > Sphingolipids > Ceramides |
| IUPAC Name | N-[(E,2R,3S)-1,3-dihydroxyhenicos-4-en-2-yl]acetamide |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCC=CC(C(CO)NC(=O)C)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCC/C=C/[C@@H]([C@@H](CO)NC(=O)C)O |
| InChI | InChI=1S/C23H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(27)22(20-25)24-21(2)26/h18-19,22-23,25,27H,3-17,20H2,1-2H3,(H,24,26)/b19-18+/t22-,23+/m1/s1 |
| InChI Key | NSOQQZAUFCNZHQ-GWGOZDFZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H45NO3 |
| Molecular Weight | 383.60 g/mol |
| Exact Mass | 383.33994430 g/mol |
| Topological Polar Surface Area (TPSA) | 69.60 Ų |
| XlogP | 7.20 |
| There are no found synonyms. |
![2D Structure of N-[(E,2R,3S)-1,3-dihydroxyhenicos-4-en-2-yl]acetamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-e2r3s-13-dihydroxyhenicos-4-en-2-ylacetamide.jpg "2D Structure of N-[(E,2R,3S)-1,3-dihydroxyhenicos-4-en-2-yl]acetamide")
| 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 | 98.73% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.83% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.78% | 97.29% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 96.15% | 92.86% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.76% | 93.56% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.25% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.96% | 96.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.10% | 89.34% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.76% | 96.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.43% | 89.63% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.82% | 91.11% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 86.57% | 86.67% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.33% | 94.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.28% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.78% | 98.03% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 85.73% | 91.24% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.38% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.97% | 97.21% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.97% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.60% | 91.19% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 84.58% | 85.94% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.24% | 91.81% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 83.89% | 95.93% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.99% | 94.73% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.62% | 95.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.00% | 96.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.60% | 98.75% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.17% | 92.88% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 80.09% | 92.29% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 80.05% | 87.45% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.03% | 96.00% |
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.
| Tanacetum artemisioides |
| Tanacetum sinaicum |
| PubChem | 11292035 |
| LOTUS | LTS0076352 |
| wikiData | Q105185177 |