2-hydroxy-N-[(4E,8E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]octadecanamide
| Internal ID | 82a6143e-6c6d-42d1-8f7b-f0572f11c1d8 |
| Taxonomy | Lipids and lipid-like molecules > Sphingolipids > Glycosphingolipids |
| IUPAC Name | 2-hydroxy-N-[(4E,8E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]octadecanamide |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCC=C(C)CCCCCCCCC)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCC(C(=O)NC(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(/C=C/CC/C=C(\C)/CCCCCCCCC)O)O |
| InChI | InChI=1S/C43H81NO9/c1-4-6-8-10-12-13-14-15-16-17-18-20-22-26-31-37(47)42(51)44-35(33-52-43-41(50)40(49)39(48)38(32-45)53-43)36(46)30-27-23-25-29-34(3)28-24-21-19-11-9-7-5-2/h27,29-30,35-41,43,45-50H,4-26,28,31-33H2,1-3H3,(H,44,51)/b30-27+,34-29+/t35?,36?,37?,38-,39-,40+,41-,43-/m1/s1 |
| InChI Key | RIZIAUKTHDLMQX-PFFLVVKUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C43H81NO9 |
| Molecular Weight | 756.10 g/mol |
| Exact Mass | 755.59113316 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | 11.30 |
| There are no found synonyms. |
![2D Structure of 2-hydroxy-N-[(4E,8E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]octadecanamide](https://plantaedb.com/storage/docs/compounds/2023/11/8a4aca00-8481-11ee-a119-1dc6cf1a5b7d.jpg "2D Structure of 2-hydroxy-N-[(4E,8E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]octadecanamide")
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.81% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.73% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 98.68% | 92.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 97.51% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.22% | 96.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 97.12% | 92.86% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.33% | 91.11% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.22% | 97.29% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.86% | 94.73% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 93.79% | 91.24% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 93.40% | 92.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 91.87% | 100.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 90.91% | 85.94% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 90.77% | 94.33% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 89.14% | 82.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.51% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 87.45% | 91.81% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.10% | 96.47% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.01% | 96.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.94% | 91.19% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.85% | 92.88% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 85.59% | 92.32% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.45% | 96.90% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.19% | 95.50% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 83.99% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.79% | 89.50% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.61% | 96.61% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.19% | 89.34% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.86% | 90.71% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.27% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.86% | 97.25% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.51% | 97.21% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 81.36% | 95.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 81.28% | 96.00% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 81.14% | 92.29% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.66% | 97.47% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.24% | 95.89% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 100916010 |
| LOTUS | LTS0201832 |
| wikiData | Q104401052 |