[3-hydroxy-2-[7-[(2S,3S)-3-[(4Z,6Z)-nona-4,6-dienyl]oxiran-2-yl]hepta-4,6-diynoyloxy]propyl] 7-[(2S,3S)-3-[(4Z,6Z)-nona-4,6-dienyl]oxiran-2-yl]hepta-4,6-diynoate
| Internal ID | 259b80ba-082c-4027-a4c8-6b3fdaf02f80 |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Diradylglycerols > Diacylglycerols > 1,2-diacylglycerols |
| IUPAC Name | [3-hydroxy-2-[7-[(2S,3S)-3-[(4Z,6Z)-nona-4,6-dienyl]oxiran-2-yl]hepta-4,6-diynoyloxy]propyl] 7-[(2S,3S)-3-[(4Z,6Z)-nona-4,6-dienyl]oxiran-2-yl]hepta-4,6-diynoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C39H48O7/c1-3-5-7-9-11-13-19-25-34-36(45-34)27-21-15-17-23-29-38(41)43-32-33(31-40)44-39(42)30-24-18-16-22-28-37-35(46-37)26-20-14-12-10-8-6-4-2/h5-12,33-37,40H,3-4,13-14,19-20,23-26,29-32H2,1-2H3/b7-5-,8-6-,11-9-,12-10-/t33?,34-,35-,36-,37-/m0/s1 |
| InChI Key | WANRVFGAADTRAB-FRPTVKRASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C39H48O7 |
| Molecular Weight | 628.80 g/mol |
| Exact Mass | 628.34000387 g/mol |
| Topological Polar Surface Area (TPSA) | 97.90 Ų |
| XlogP | 6.80 |
| There are no found synonyms. |
![2D Structure of [3-hydroxy-2-[7-[(2S,3S)-3-[(4Z,6Z)-nona-4,6-dienyl]oxiran-2-yl]hepta-4,6-diynoyloxy]propyl] 7-[(2S,3S)-3-[(4Z,6Z)-nona-4,6-dienyl]oxiran-2-yl]hepta-4,6-diynoate](https://plantaedb.com/storage/docs/compounds/2023/11/735fe710-8744-11ee-8206-eb5af2e1fa09.jpg "2D Structure of [3-hydroxy-2-[7-[(2S,3S)-3-[(4Z,6Z)-nona-4,6-dienyl]oxiran-2-yl]hepta-4,6-diynoyloxy]propyl] 7-[(2S,3S)-3-[(4Z,6Z)-nona-4,6-dienyl]oxiran-2-yl]hepta-4,6-diynoate")
| 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 | 96.61% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.61% | 96.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 90.12% | 92.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.02% | 94.45% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.89% | 96.38% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 86.36% | 97.47% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.91% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.53% | 94.73% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.11% | 89.34% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.55% | 96.47% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.01% | 91.19% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 82.39% | 89.92% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.27% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.03% | 91.11% |
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.
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| There are no matching plants. |
| PubChem | 101690771 |
| LOTUS | LTS0211991 |
| wikiData | Q77509017 |