[2-Hydroxy-4-(3-hydroxyprop-1-en-2-yl)-2-methyl-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclopentyl] 3-methylbutanoate
| Internal ID | 4394ac0b-ba35-4ea0-ae99-e6673bf6e830 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
| IUPAC Name | [2-hydroxy-4-(3-hydroxyprop-1-en-2-yl)-2-methyl-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclopentyl] 3-methylbutanoate |
| SMILES (Canonical) | CC(C)CC(=O)OC1CC(C(C1(C)O)COC2C(C(C(C(O2)CO)O)O)O)C(=C)CO |
| SMILES (Isomeric) | CC(C)CC(=O)OC1CC(C(C1(C)O)COC2C(C(C(C(O2)CO)O)O)O)C(=C)CO |
| InChI | InChI=1S/C21H36O10/c1-10(2)5-16(24)31-15-6-12(11(3)7-22)13(21(15,4)28)9-29-20-19(27)18(26)17(25)14(8-23)30-20/h10,12-15,17-20,22-23,25-28H,3,5-9H2,1-2,4H3 |
| InChI Key | HRAKXIGVAPGHEW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H36O10 |
| Molecular Weight | 448.50 g/mol |
| Exact Mass | 448.23084734 g/mol |
| Topological Polar Surface Area (TPSA) | 166.00 Ų |
| XlogP | -0.60 |
| There are no found synonyms. |
![2D Structure of [2-Hydroxy-4-(3-hydroxyprop-1-en-2-yl)-2-methyl-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclopentyl] 3-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/d46af370-8621-11ee-b08d-c94ace03ddcf.jpg "2D Structure of [2-Hydroxy-4-(3-hydroxyprop-1-en-2-yl)-2-methyl-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclopentyl] 3-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 | 98.42% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.31% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.21% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.63% | 97.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.38% | 96.47% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 89.75% | 94.45% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 88.88% | 82.50% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.30% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.48% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.08% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.98% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.88% | 97.79% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.12% | 92.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.71% | 96.95% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.23% | 96.21% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.15% | 92.62% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.87% | 96.61% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.84% | 96.38% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 81.74% | 92.32% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.62% | 95.93% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.01% | 96.77% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.99% | 96.00% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 80.71% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.62% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.46% | 89.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.32% | 89.50% |
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.
| Patrinia scabra |
| PubChem | 78075599 |
| LOTUS | LTS0241815 |
| wikiData | Q105032536 |