[6,7-dihydroxy-7-(hydroxymethyl)-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 2-methylbutanoate
| Internal ID | e92a59a0-1c14-412d-86f5-64d2d6c5a151 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
| IUPAC Name | [6,7-dihydroxy-7-(hydroxymethyl)-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 2-methylbutanoate |
| SMILES (Canonical) | CCC(C)C(=O)OC1C2C(CC(C2(CO)O)O)C(=CO1)COC3C(C(C(C(O3)CO)O)O)O |
| SMILES (Isomeric) | CCC(C)C(=O)OC1C2C(CC(C2(CO)O)O)C(=CO1)COC3C(C(C(C(O3)CO)O)O)O |
| InChI | InChI=1S/C21H34O12/c1-3-9(2)18(28)33-19-14-11(4-13(24)21(14,29)8-23)10(6-30-19)7-31-20-17(27)16(26)15(25)12(5-22)32-20/h6,9,11-17,19-20,22-27,29H,3-5,7-8H2,1-2H3 |
| InChI Key | VIXQFJQKGSXGLS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H34O12 |
| Molecular Weight | 478.50 g/mol |
| Exact Mass | 478.20502652 g/mol |
| Topological Polar Surface Area (TPSA) | 196.00 Ų |
| XlogP | -2.00 |
| There are no found synonyms. |
![2D Structure of [6,7-dihydroxy-7-(hydroxymethyl)-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/14941680-85b8-11ee-8fa4-55ce9c7c19ae.jpg "2D Structure of [6,7-dihydroxy-7-(hydroxymethyl)-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 2-methylbutanoate")
| 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 | 98.75% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 98.17% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.72% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.88% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.20% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.15% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.63% | 94.45% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.51% | 97.21% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.87% | 96.61% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.15% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.49% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.08% | 89.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 84.08% | 82.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.92% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.91% | 86.33% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.39% | 91.24% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.01% | 97.79% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.66% | 92.50% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.61% | 86.92% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.28% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.75% | 90.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.21% | 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.
| Viburnum ayavacense |
| PubChem | 85209771 |
| LOTUS | LTS0038008 |
| wikiData | Q105287080 |