[5-Acetyloxy-3-hydroxy-2-methyl-6-[[3,4,5-trihydroxy-6-(3,7,11-trimethyldodeca-2,6,10-trienoxy)oxan-2-yl]methoxy]oxan-4-yl] acetate
| Internal ID | 783f7fb4-7cf3-4e4f-b68c-cf76349b2369 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
| IUPAC Name | [5-acetyloxy-3-hydroxy-2-methyl-6-[[3,4,5-trihydroxy-6-(3,7,11-trimethyldodeca-2,6,10-trienoxy)oxan-2-yl]methoxy]oxan-4-yl] acetate |
| SMILES (Canonical) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC=C(C)CCC=C(C)CCC=C(C)C)O)O)O)OC(=O)C)OC(=O)C)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC=C(C)CCC=C(C)CCC=C(C)C)O)O)O)OC(=O)C)OC(=O)C)O |
| InChI | InChI=1S/C31H50O12/c1-17(2)10-8-11-18(3)12-9-13-19(4)14-15-38-30-27(37)26(36)25(35)23(43-30)16-39-31-29(42-22(7)33)28(41-21(6)32)24(34)20(5)40-31/h10,12,14,20,23-31,34-37H,8-9,11,13,15-16H2,1-7H3 |
| InChI Key | RWOYUZSKWXYWFT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H50O12 |
| Molecular Weight | 614.70 g/mol |
| Exact Mass | 614.33022703 g/mol |
| Topological Polar Surface Area (TPSA) | 170.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of [5-Acetyloxy-3-hydroxy-2-methyl-6-[[3,4,5-trihydroxy-6-(3,7,11-trimethyldodeca-2,6,10-trienoxy)oxan-2-yl]methoxy]oxan-4-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/b5f586c0-8818-11ee-87b1-799090f638b6.jpg "2D Structure of [5-Acetyloxy-3-hydroxy-2-methyl-6-[[3,4,5-trihydroxy-6-(3,7,11-trimethyldodeca-2,6,10-trienoxy)oxan-2-yl]methoxy]oxan-4-yl] 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.03% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.51% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.32% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.89% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.16% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.24% | 92.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.82% | 86.33% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 84.05% | 97.36% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.86% | 85.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.74% | 95.89% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.37% | 92.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.13% | 94.33% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 80.64% | 97.78% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.23% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.22% | 89.00% |
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.
| Guioa crenulata |
| PubChem | 73797132 |
| LOTUS | LTS0085822 |
| wikiData | Q105246646 |