(2E,6S)-2,6-dimethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyocta-2,7-dienoic acid
| Internal ID | 4b8abdbd-f34f-435f-9dd5-62d3fd46e07b |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | (2E,6S)-2,6-dimethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyocta-2,7-dienoic acid |
| SMILES (Canonical) | CC(=CCCC(C)(C=C)OC1C(C(C(CO1)O)O)O)C(=O)O |
| SMILES (Isomeric) | C/C(=C\CC[C@@](C)(C=C)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)/C(=O)O |
| InChI | InChI=1S/C15H24O7/c1-4-15(3,7-5-6-9(2)13(19)20)22-14-12(18)11(17)10(16)8-21-14/h4,6,10-12,14,16-18H,1,5,7-8H2,2-3H3,(H,19,20)/b9-6+/t10-,11+,12-,14+,15-/m1/s1 |
| InChI Key | SUXYTSNUWGRMRJ-DHPDYHBDSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H24O7 |
| Molecular Weight | 316.35 g/mol |
| Exact Mass | 316.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | -0.10 |
| There are no found synonyms. |
![2D Structure of (2E,6S)-2,6-dimethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyocta-2,7-dienoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2e6s-26-dimethyl-6-2s3r4s5r-345-trihydroxyoxan-2-yloxyocta-27-dienoic-acid.jpg "2D Structure of (2E,6S)-2,6-dimethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyocta-2,7-dienoic acid")
| 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 | 95.93% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.94% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.31% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.31% | 98.95% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.51% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.24% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.29% | 91.19% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.28% | 93.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.79% | 96.47% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.74% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.32% | 97.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.31% | 89.34% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 10448449 |
| LOTUS | LTS0059109 |
| wikiData | Q105261653 |