Methyl (3x,10R)-dihydroxy-11-dodecene-6,8-diynoate 10-glucoside
| Internal ID | 632f2c07-63c5-456e-b0b7-132b643000d4 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | methyl 3-hydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydodec-11-en-6,8-diynoate |
| SMILES (Canonical) | COC(=O)CC(CCC#CC#CC(C=C)OC1C(C(C(C(O1)CO)O)O)O)O |
| SMILES (Isomeric) | COC(=O)CC(CCC#CC#CC(C=C)OC1C(C(C(C(O1)CO)O)O)O)O |
| InChI | InChI=1S/C19H26O9/c1-3-13(9-7-5-4-6-8-12(21)10-15(22)26-2)27-19-18(25)17(24)16(23)14(11-20)28-19/h3,12-14,16-21,23-25H,1,6,8,10-11H2,2H3 |
| InChI Key | UOPMCWHYLKOBAX-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C19H26O9 |
| Molecular Weight | 398.40 g/mol |
| Exact Mass | 398.15768240 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | -0.70 |
| CHEBI:175975 |
| DTXSID901133386 |
| 11-Dodecene-6,8-diynoic acid, 10-(beta-D-glucopyranosyloxy)-3-hydroxy-, methyl ester |
| 152141-43-0 |
| methyl 3-hydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydodec-11-en-6,8-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.07% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.22% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.68% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.80% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.79% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.73% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.09% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.10% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.83% | 85.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.50% | 95.89% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.41% | 96.61% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.36% | 94.33% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 87.13% | 95.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.49% | 96.47% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.02% | 91.19% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 85.98% | 97.47% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.79% | 91.24% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.41% | 94.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.17% | 89.34% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.82% | 98.75% |
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.
| Helianthus tuberosus |
| PubChem | 131752977 |
| LOTUS | LTS0207902 |
| wikiData | Q105276508 |