2-hydroxy-N-[3,4,5-trihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonacosan-2-yl]pentadec-9-enamide
| Internal ID | 52b9903a-368f-4a27-a511-f990a2e4d8cb |
| Taxonomy | Lipids and lipid-like molecules > Sphingolipids > Glycosphingolipids |
| IUPAC Name | 2-hydroxy-N-[3,4,5-trihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonacosan-2-yl]pentadec-9-enamide |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCCCCCCCCC(C(C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)C(CCCCCCC=CCCCCC)O)O)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCCCCCCCCC(C(C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)C(CCCCCCC=CCCCCC)O)O)O)O |
| InChI | InChI=1S/C50H97NO11/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-27-28-30-32-34-36-41(53)45(56)44(55)40(39-61-50-48(59)47(58)46(57)43(38-52)62-50)51-49(60)42(54)37-35-33-31-29-26-14-12-10-8-6-4-2/h12,14,40-48,50,52-59H,3-11,13,15-39H2,1-2H3,(H,51,60) |
| InChI Key | QPWQRCVIPXJKLA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C50H97NO11 |
| Molecular Weight | 888.30 g/mol |
| Exact Mass | 887.70616291 g/mol |
| Topological Polar Surface Area (TPSA) | 209.00 Ų |
| XlogP | 13.20 |
| There are no found synonyms. |
![2D Structure of 2-hydroxy-N-[3,4,5-trihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonacosan-2-yl]pentadec-9-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/22f20da0-85df-11ee-a7f5-5fbc72ca4197.jpg "2D Structure of 2-hydroxy-N-[3,4,5-trihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonacosan-2-yl]pentadec-9-enamide")
| 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 | 98.71% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.28% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.64% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.27% | 96.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 96.17% | 92.86% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.79% | 93.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.34% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.23% | 91.11% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 92.17% | 92.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 91.51% | 100.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.20% | 92.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.00% | 94.73% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.53% | 96.47% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 88.88% | 91.24% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.15% | 96.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.91% | 94.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.45% | 90.17% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 85.96% | 85.94% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.62% | 96.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.56% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.10% | 89.34% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.13% | 97.21% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 83.91% | 94.66% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 83.22% | 82.50% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.86% | 95.71% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 82.82% | 98.05% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 82.57% | 91.81% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.97% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.59% | 89.00% |
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.
| Ficus polita |
| PubChem | 163098885 |
| LOTUS | LTS0235904 |
| wikiData | Q105225635 |