[4-(acetyloxymethyl)-7-hydroxy-6-(3-methylbutanoyloxy)-1-(3-methylbut-2-enoyloxy)-6,7a-dihydro-1H-cyclopenta[c]pyran-7-yl]methyl 3-methylbutanoate
| Internal ID | 2989177a-33ee-43c6-9338-1f168f53e182 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | [4-(acetyloxymethyl)-7-hydroxy-6-(3-methylbutanoyloxy)-1-(3-methylbut-2-enoyloxy)-6,7a-dihydro-1H-cyclopenta[c]pyran-7-yl]methyl 3-methylbutanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H38O10/c1-15(2)8-22(29)35-14-27(32)21(36-23(30)9-16(3)4)11-20-19(12-33-18(7)28)13-34-26(25(20)27)37-24(31)10-17(5)6/h10-11,13,15-16,21,25-26,32H,8-9,12,14H2,1-7H3 |
| InChI Key | HCGUNEDCTVLVNP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H38O10 |
| Molecular Weight | 522.60 g/mol |
| Exact Mass | 522.24649740 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of [4-(acetyloxymethyl)-7-hydroxy-6-(3-methylbutanoyloxy)-1-(3-methylbut-2-enoyloxy)-6,7a-dihydro-1H-cyclopenta[c]pyran-7-yl]methyl 3-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/a68174f0-85cb-11ee-a5e9-078451ab3be4.jpg "2D Structure of [4-(acetyloxymethyl)-7-hydroxy-6-(3-methylbutanoyloxy)-1-(3-methylbut-2-enoyloxy)-6,7a-dihydro-1H-cyclopenta[c]pyran-7-yl]methyl 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 | 97.13% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.82% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.01% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.78% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.60% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.56% | 97.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.77% | 94.73% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.73% | 91.07% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.23% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.57% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.44% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.06% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.96% | 86.33% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.16% | 97.28% |
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.
| Valeriana sorbifolia |
| PubChem | 162910451 |
| LOTUS | LTS0075382 |
| wikiData | Q105025683 |