3-Hydroxy-2-[(3-hydroxy-15-methylhexadecanoyl)amino]-15-methylhexadec-4-ene-1-sulfonic acid
| Internal ID | 0b506e8c-8e9b-475b-aaeb-6cc0d5943375 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines |
| IUPAC Name | 3-hydroxy-2-[(3-hydroxy-15-methylhexadecanoyl)amino]-15-methylhexadec-4-ene-1-sulfonic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H67NO6S/c1-29(2)23-19-15-11-7-5-9-13-17-21-25-31(36)27-34(38)35-32(28-42(39,40)41)33(37)26-22-18-14-10-6-8-12-16-20-24-30(3)4/h22,26,29-33,36-37H,5-21,23-25,27-28H2,1-4H3,(H,35,38)(H,39,40,41) |
| InChI Key | YPDRPLLLEHXCJA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H67NO6S |
| Molecular Weight | 618.00 g/mol |
| Exact Mass | 617.46891003 g/mol |
| Topological Polar Surface Area (TPSA) | 132.00 Ų |
| XlogP | 10.50 |
| There are no found synonyms. |
![2D Structure of 3-Hydroxy-2-[(3-hydroxy-15-methylhexadecanoyl)amino]-15-methylhexadec-4-ene-1-sulfonic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3-hydroxy-2-3-hydroxy-15-methylhexadecanoylamino-15-methylhexadec-4-ene-1-sulfonic-acid.jpg "2D Structure of 3-Hydroxy-2-[(3-hydroxy-15-methylhexadecanoyl)amino]-15-methylhexadec-4-ene-1-sulfonic acid")
| 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 | 98.68% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.26% | 97.29% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 93.82% | 85.31% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.45% | 93.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.78% | 96.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 91.51% | 97.21% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 90.20% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.73% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.91% | 94.73% |
| CHEMBL283 | P08254 | Matrix metalloproteinase 3 | 88.66% | 97.29% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.26% | 96.47% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.13% | 92.86% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.94% | 96.09% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 87.33% | 98.75% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 85.97% | 94.66% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.77% | 91.11% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.63% | 94.33% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.55% | 89.63% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.18% | 92.88% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 84.65% | 95.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.32% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.93% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.37% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.34% | 95.56% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.05% | 96.90% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 82.55% | 96.67% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.64% | 100.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.59% | 95.71% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 74025025 |
| LOTUS | LTS0208000 |
| wikiData | Q104201933 |