(Z,2R)-10-(2-decylcyclopropyl)-N-[(Z,2S,3R)-12-(2-decylcyclopropyl)-1-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-3-(3-methylbut-2-enoxy)-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3-hydroxydodec-7-en-2-yl]-2-hydroxydec-5-enamide
| Internal ID | 42cac014-cfe5-4e7c-8943-d2af679167dc |
| Taxonomy | Lipids and lipid-like molecules > Sphingolipids > Glycosphingolipids |
| IUPAC Name | (Z,2R)-10-(2-decylcyclopropyl)-N-[(Z,2S,3R)-12-(2-decylcyclopropyl)-1-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-3-(3-methylbut-2-enoxy)-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3-hydroxydodec-7-en-2-yl]-2-hydroxydec-5-enamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C65H117NO14/c1-5-7-9-11-13-16-22-28-34-48-42-50(48)36-30-24-18-15-19-26-32-38-53(68)52(66-63(75)54(69)39-33-27-21-20-25-31-37-51-43-49(51)35-29-23-17-14-12-10-8-6-2)45-77-65-62(76-41-40-47(3)4)60(73)58(71)56(80-65)46-78-64-61(74)59(72)57(70)55(44-67)79-64/h15,19,21,27,40,48-62,64-65,67-74H,5-14,16-18,20,22-26,28-39,41-46H2,1-4H3,(H,66,75)/b19-15-,27-21-/t48?,49?,50?,51?,52-,53+,54+,55+,56+,57-,58-,59-,60-,61+,62+,64+,65+/m0/s1 |
| InChI Key | GUQCLCSCKTYKPH-MTMGIWOKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C65H117NO14 |
| Molecular Weight | 1136.60 g/mol |
| Exact Mass | 1135.84740741 g/mol |
| Topological Polar Surface Area (TPSA) | 237.00 Ų |
| XlogP | 15.30 |
| There are no found synonyms. |
![2D Structure of (Z,2R)-10-(2-decylcyclopropyl)-N-[(Z,2S,3R)-12-(2-decylcyclopropyl)-1-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-3-(3-methylbut-2-enoxy)-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3-hydroxydodec-7-en-2-yl]-2-hydroxydec-5-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/785ca810-853a-11ee-be10-0dad0c8dc87b.jpg "2D Structure of (Z,2R)-10-(2-decylcyclopropyl)-N-[(Z,2S,3R)-12-(2-decylcyclopropyl)-1-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-3-(3-methylbut-2-enoxy)-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3-hydroxydodec-7-en-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 | 98.51% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.45% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.03% | 91.11% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 97.71% | 92.86% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.14% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.26% | 97.29% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 94.55% | 92.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.60% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.50% | 90.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.40% | 96.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.54% | 96.47% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.96% | 100.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 90.70% | 95.71% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.53% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.41% | 94.45% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.30% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.22% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.80% | 94.73% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 89.46% | 94.33% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 89.38% | 91.81% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 88.60% | 95.58% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 88.38% | 92.32% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.11% | 96.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.86% | 92.08% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.71% | 97.21% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 87.19% | 96.90% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.08% | 89.34% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.87% | 91.24% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.19% | 97.25% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 83.40% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.14% | 91.19% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.88% | 95.89% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.43% | 95.83% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.84% | 97.50% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.81% | 89.63% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 81.77% | 94.66% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.54% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.30% | 95.50% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 81.24% | 92.29% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.08% | 82.50% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 80.49% | 90.24% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.22% | 89.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 101063662 |
| LOTUS | LTS0075203 |
| wikiData | Q105020365 |