2-(Hydroxymethyl)-6-(1,7,14-trihydroxytetradeca-4,12-dien-8,10-diyn-6-yloxy)oxane-3,4,5-triol
| Internal ID | 993590b8-c5e4-421a-8222-c43c8d4b3081 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 2-(hydroxymethyl)-6-(1,7,14-trihydroxytetradeca-4,12-dien-8,10-diyn-6-yloxy)oxane-3,4,5-triol |
| SMILES (Canonical) | C(CC=CC(C(C#CC#CC=CCO)O)OC1C(C(C(C(O1)CO)O)O)O)CO |
| SMILES (Isomeric) | C(CC=CC(C(C#CC#CC=CCO)O)OC1C(C(C(C(O1)CO)O)O)O)CO |
| InChI | InChI=1S/C20H28O9/c21-11-7-3-1-2-5-9-14(24)15(10-6-4-8-12-22)28-20-19(27)18(26)17(25)16(13-23)29-20/h3,6-7,10,14-27H,4,8,11-13H2 |
| InChI Key | PXDXBIHZSFNSPR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O9 |
| Molecular Weight | 412.40 g/mol |
| Exact Mass | 412.17333247 g/mol |
| Topological Polar Surface Area (TPSA) | 160.00 Ų |
| XlogP | -1.80 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.52% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.87% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.49% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.16% | 96.38% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.13% | 95.93% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 85.82% | 95.58% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.41% | 96.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.08% | 86.92% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 84.95% | 97.47% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 84.38% | 92.32% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.54% | 94.73% |
| CHEMBL3589 | P55263 | Adenosine kinase | 83.16% | 98.05% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.72% | 96.47% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.69% | 98.75% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.19% | 97.29% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.18% | 95.89% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.46% | 97.36% |
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.
| Codonopsis cordifolioidea |
| PubChem | 162987915 |
| LOTUS | LTS0186135 |
| wikiData | Q105216124 |