2-hydroxy-N-(1,3,4-trihydroxyoctadec-13-en-2-yl)tetracosanamide
| Internal ID | 98b4dc0c-e6a8-456c-ace7-c45227cceabc |
| Taxonomy | Lipids and lipid-like molecules > Sphingolipids > Ceramides > Phytoceramides |
| IUPAC Name | 2-hydroxy-N-(1,3,4-trihydroxyoctadec-13-en-2-yl)tetracosanamide |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(C(CCCCCCCCC=CCCCC)O)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(C(CCCCCCCCC=CCCCC)O)O)O |
| InChI | InChI=1S/C42H83NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h10,12,38-41,44-47H,3-9,11,13-37H2,1-2H3,(H,43,48) |
| InChI Key | YDHNOAUIRZGNQL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C42H83NO5 |
| Molecular Weight | 682.10 g/mol |
| Exact Mass | 681.62712475 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 14.90 |
| There are no found synonyms. |
| 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 | 98.64% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 98.06% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.81% | 99.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.55% | 83.82% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 96.66% | 92.86% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.42% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.18% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.43% | 89.63% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.00% | 92.08% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 89.43% | 95.58% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 89.28% | 91.81% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.93% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 88.09% | 98.03% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.06% | 96.47% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.04% | 100.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 87.63% | 91.24% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.17% | 96.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.04% | 89.34% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 85.59% | 95.71% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 84.27% | 97.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.38% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.36% | 94.73% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 83.29% | 86.67% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 82.89% | 94.66% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.88% | 94.33% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 82.40% | 87.45% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.70% | 96.38% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.16% | 91.19% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.95% | 90.17% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 80.78% | 96.67% |
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.
| Zephyranthes candida |
| PubChem | 163014130 |
| LOTUS | LTS0112834 |
| wikiData | Q105346750 |