10-(2-decylcyclopropyl)-N-[10-(2-decylcyclopropyl)-1-[4,5-dihydroxy-3-(3-methylbut-2-enoxy)-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3-hydroxydecan-2-yl]-2-hydroxydec-5-enamide
| Internal ID | b6acbb4a-16df-498a-b89b-109afdb8286f |
| Taxonomy | Lipids and lipid-like molecules > Sphingolipids > Glycosphingolipids |
| IUPAC Name | 10-(2-decylcyclopropyl)-N-[10-(2-decylcyclopropyl)-1-[4,5-dihydroxy-3-(3-methylbut-2-enoxy)-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3-hydroxydecan-2-yl]-2-hydroxydec-5-enamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C63H115NO14/c1-5-7-9-11-13-15-20-26-32-46-40-48(46)34-28-22-17-18-24-31-37-52(67)61(73)64-50(51(66)36-30-25-19-23-29-35-49-41-47(49)33-27-21-16-14-12-10-8-6-2)43-75-63-60(74-39-38-45(3)4)58(71)56(69)54(78-63)44-76-62-59(72)57(70)55(68)53(42-65)77-62/h18,24,38,46-60,62-63,65-72H,5-17,19-23,25-37,39-44H2,1-4H3,(H,64,73) |
| InChI Key | HBNZOEMODIHKHA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C63H115NO14 |
| Molecular Weight | 1110.60 g/mol |
| Exact Mass | 1109.83175734 g/mol |
| Topological Polar Surface Area (TPSA) | 237.00 Ų |
| XlogP | 15.10 |
| There are no found synonyms. |
![2D Structure of 10-(2-decylcyclopropyl)-N-[10-(2-decylcyclopropyl)-1-[4,5-dihydroxy-3-(3-methylbut-2-enoxy)-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3-hydroxydecan-2-yl]-2-hydroxydec-5-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/ef674650-85e2-11ee-bbf0-63bd7b7e6251.jpg "2D Structure of 10-(2-decylcyclopropyl)-N-[10-(2-decylcyclopropyl)-1-[4,5-dihydroxy-3-(3-methylbut-2-enoxy)-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3-hydroxydecan-2-yl]-2-hydroxydec-5-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 | 98.53% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.44% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.85% | 91.11% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 97.66% | 92.86% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.42% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.26% | 97.29% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 95.05% | 92.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.77% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.32% | 90.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.45% | 96.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.26% | 96.47% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 91.11% | 95.71% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.96% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.93% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.90% | 94.45% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.83% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.64% | 97.09% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 89.81% | 91.24% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.80% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.67% | 97.21% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 89.46% | 94.33% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 89.23% | 95.58% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.06% | 96.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 88.68% | 91.81% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 88.26% | 92.32% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.86% | 92.08% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 87.39% | 96.90% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.08% | 89.34% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 86.43% | 89.63% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.22% | 97.25% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 84.04% | 100.00% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 83.74% | 94.66% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.15% | 95.83% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.14% | 91.19% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.88% | 95.89% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 82.22% | 90.24% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.03% | 98.75% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.84% | 97.50% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.72% | 82.50% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.30% | 95.50% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.22% | 97.47% |
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.
| There are no matching plants. |
| PubChem | 73836956 |
| LOTUS | LTS0133170 |
| wikiData | Q105025392 |