[2,4,6-Trihydroxy-3-(3-methylbutanoyloxy)-5-(3-methylbut-2-enoyloxy)cyclohexyl] 3-methylbutanoate
| Internal ID | f4afa543-d5cd-49c1-9848-ac0505336c36 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives |
| IUPAC Name | [2,4,6-trihydroxy-3-(3-methylbutanoyloxy)-5-(3-methylbut-2-enoyloxy)cyclohexyl] 3-methylbutanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H34O9/c1-10(2)7-13(22)28-19-16(25)20(29-14(23)8-11(3)4)18(27)21(17(19)26)30-15(24)9-12(5)6/h7,11-12,16-21,25-27H,8-9H2,1-6H3 |
| InChI Key | HNNKYBNBYRASRR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H34O9 |
| Molecular Weight | 430.50 g/mol |
| Exact Mass | 430.22028266 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of [2,4,6-Trihydroxy-3-(3-methylbutanoyloxy)-5-(3-methylbut-2-enoyloxy)cyclohexyl] 3-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/246-trihydroxy-3-3-methylbutanoyloxy-5-3-methylbut-2-enoyloxycyclohexyl-3-methylbutanoate.jpg "2D Structure of [2,4,6-Trihydroxy-3-(3-methylbutanoyloxy)-5-(3-methylbut-2-enoyloxy)cyclohexyl] 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 | 97.14% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.13% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.16% | 83.82% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.57% | 97.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.00% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.60% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.97% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.38% | 99.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.34% | 96.47% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.09% | 91.11% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 83.44% | 94.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.27% | 96.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.27% | 94.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.29% | 91.19% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.08% | 97.47% |
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.
| Hymenoxys texana |
| PubChem | 162985905 |
| LOTUS | LTS0058702 |
| wikiData | Q105030971 |