[(2R,3S,4S,5R,6S)-5-acetyloxy-3,4-dihydroxy-6-[(3S,6E,11R)-12-hydroxy-3,7,11-trimethyldodeca-1,6-dien-3-yl]oxyoxan-2-yl]methyl acetate
| Internal ID | 3d1d581a-4bc6-4296-b100-de9ff70e2654 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | [(2R,3S,4S,5R,6S)-5-acetyloxy-3,4-dihydroxy-6-[(3S,6E,11R)-12-hydroxy-3,7,11-trimethyldodeca-1,6-dien-3-yl]oxyoxan-2-yl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H42O9/c1-7-25(6,13-9-12-16(2)10-8-11-17(3)14-26)34-24-23(32-19(5)28)22(30)21(29)20(33-24)15-31-18(4)27/h7,12,17,20-24,26,29-30H,1,8-11,13-15H2,2-6H3/b16-12+/t17-,20-,21-,22+,23-,24+,25-/m1/s1 |
| InChI Key | HSLJXOGNOJMDIV-NVBKFWSASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H42O9 |
| Molecular Weight | 486.60 g/mol |
| Exact Mass | 486.28288291 g/mol |
| Topological Polar Surface Area (TPSA) | 132.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,4S,5R,6S)-5-acetyloxy-3,4-dihydroxy-6-[(3S,6E,11R)-12-hydroxy-3,7,11-trimethyldodeca-1,6-dien-3-yl]oxyoxan-2-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/621826b0-8643-11ee-b679-19f237ebf200.jpg "2D Structure of [(2R,3S,4S,5R,6S)-5-acetyloxy-3,4-dihydroxy-6-[(3S,6E,11R)-12-hydroxy-3,7,11-trimethyldodeca-1,6-dien-3-yl]oxyoxan-2-yl]methyl acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.13% | 97.25% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 97.10% | 96.47% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.49% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.60% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.56% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.37% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.28% | 97.29% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.12% | 89.34% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 91.18% | 95.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.85% | 91.11% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 89.72% | 98.75% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.63% | 97.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.78% | 94.45% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 87.56% | 96.90% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 87.03% | 82.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.59% | 93.56% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.29% | 92.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.13% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.85% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.18% | 94.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.16% | 96.95% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.86% | 94.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.84% | 89.50% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.99% | 96.61% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.87% | 96.77% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.33% | 95.93% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.27% | 95.89% |
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.
| Gaillardia aestivalis |
| PubChem | 162931501 |
| LOTUS | LTS0197103 |
| wikiData | Q105033097 |