Methyl 3-hydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydodeca-4,11-dien-6,8-diynoate
| Internal ID | b2e146c6-5e17-429c-92b8-2497102504e6 |
| 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]oxydodeca-4,11-dien-6,8-diynoate |
| SMILES (Canonical) | COC(=O)CC(C=CC#CC#CC(C=C)OC1C(C(C(C(O1)CO)O)O)O)O |
| SMILES (Isomeric) | COC(=O)CC(C=CC#CC#CC(C=C)OC1C(C(C(C(O1)CO)O)O)O)O |
| InChI | InChI=1S/C19H24O9/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/h3,6,8,12-14,16-21,23-25H,1,10-11H2,2H3 |
| InChI Key | CDSGJPSZVQMWJQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H24O9 |
| Molecular Weight | 396.40 g/mol |
| Exact Mass | 396.14203234 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | -0.90 |
| There are no found synonyms. |
![2D Structure of Methyl 3-hydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydodeca-4,11-dien-6,8-diynoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-3-hydroxy-10-345-trihydroxy-6-hydroxymethyloxan-2-yloxydodeca-411-dien-68-diynoate.jpg "2D Structure of Methyl 3-hydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydodeca-4,11-dien-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 | 99.44% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.71% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.32% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.32% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.59% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.02% | 96.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.97% | 85.14% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.50% | 96.61% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 87.97% | 91.24% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.10% | 98.95% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 85.61% | 94.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.82% | 94.33% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.78% | 96.47% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 83.74% | 97.47% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.13% | 94.45% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 82.83% | 82.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.77% | 91.19% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.48% | 95.71% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.08% | 86.92% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 81.42% | 95.93% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.21% | 100.00% |
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 | 162995839 |
| LOTUS | LTS0070647 |
| wikiData | Q104955122 |