[1-Octadeca-3,6,9,12,15-pentaenoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] octadeca-6,9,12,15-tetraenoate
| Internal ID | 931a3616-47e2-49aa-93eb-4c6b36d7f99d |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Glycosylglycerols > Glycosyldiacylglycerols |
| IUPAC Name | [1-octadeca-3,6,9,12,15-pentaenoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] octadeca-6,9,12,15-tetraenoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C45H68O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29,31,38-39,42-46,49-51H,3-4,9-10,15-16,21-22,27-28,30,32-37H2,1-2H3 |
| InChI Key | UORRAKMCELTARB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C45H68O10 |
| Molecular Weight | 769.00 g/mol |
| Exact Mass | 768.48124836 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | 8.40 |
| There are no found synonyms. |
![2D Structure of [1-Octadeca-3,6,9,12,15-pentaenoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] octadeca-6,9,12,15-tetraenoate](https://plantaedb.com/storage/docs/compounds/2023/11/beebfab0-85d3-11ee-947b-5997682742fe.jpg "2D Structure of [1-Octadeca-3,6,9,12,15-pentaenoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] octadeca-6,9,12,15-tetraenoate")
| 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 | 98.21% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.19% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.53% | 98.95% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 93.24% | 92.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.45% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.58% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.56% | 94.73% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.13% | 96.61% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 83.53% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.32% | 96.47% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 83.09% | 92.32% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.26% | 89.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.77% | 94.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.89% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.66% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.17% | 93.56% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 74000086 |
| LOTUS | LTS0192672 |
| wikiData | Q105276546 |