CID 129821380
| Internal ID | a9a8aca5-315b-4117-b6ca-37e305dc7b21 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | (3R)-N-[(2E)-2-[(7aS)-3-oxo-5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-1-ylidene]acetyl]-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxytetradecanamide |
| SMILES (Canonical) | CCCCCCCCCCCC(CC(=O)NC(=O)C=C1C2CCCN2C(=O)O1)OC3C(C(C(C(O3)C)O)O)O |
| SMILES (Isomeric) | CCCCCCCCCCC[C@H](CC(=O)NC(=O)/C=C/1\[C@@H]2CCCN2C(=O)O1)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O |
| InChI | InChI=1S/C28H46N2O9/c1-3-4-5-6-7-8-9-10-11-13-19(38-27-26(35)25(34)24(33)18(2)37-27)16-22(31)29-23(32)17-21-20-14-12-15-30(20)28(36)39-21/h17-20,24-27,33-35H,3-16H2,1-2H3,(H,29,31,32)/b21-17+/t18-,19+,20-,24-,25+,26+,27-/m0/s1 |
| InChI Key | CTDVHCGPSKGLNP-RQWRZHBRSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C28H46N2O9 |
| Molecular Weight | 554.70 g/mol |
| Exact Mass | 554.32033105 g/mol |
| Topological Polar Surface Area (TPSA) | 155.00 Ų |
| XlogP | 3.20 |
| 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 | 99.52% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.33% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.53% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.09% | 91.11% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 92.82% | 94.66% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 92.00% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 91.29% | 92.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.68% | 90.71% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 90.15% | 91.81% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.66% | 89.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.91% | 92.86% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.82% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.28% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.75% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.23% | 95.56% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 85.16% | 82.38% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 85.15% | 97.47% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.66% | 97.50% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 83.39% | 94.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.91% | 94.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.62% | 94.45% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.47% | 98.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.42% | 91.19% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.40% | 96.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.04% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.04% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.92% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.29% | 95.50% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 80.26% | 95.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 129821380 |
| LOTUS | LTS0112246 |
| wikiData | Q104969738 |