[3,4,5-Triacetyloxy-7-(6-oxo-2,3-dihydropyran-2-yl)hept-6-en-2-yl] acetate
| Internal ID | d23ec04a-9c66-4be8-9c02-a418a1593690 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Pentacarboxylic acids and derivatives |
| IUPAC Name | [3,4,5-triacetyloxy-7-(6-oxo-2,3-dihydropyran-2-yl)hept-6-en-2-yl] acetate |
| SMILES (Canonical) | CC(C(C(C(C=CC1CC=CC(=O)O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| SMILES (Isomeric) | CC(C(C(C(C=CC1CC=CC(=O)O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChI | InChI=1S/C20H26O10/c1-11(26-12(2)21)19(28-14(4)23)20(29-15(5)24)17(27-13(3)22)10-9-16-7-6-8-18(25)30-16/h6,8-11,16-17,19-20H,7H2,1-5H3 |
| InChI Key | IIGKKKGWVQSBLY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26O10 |
| Molecular Weight | 426.40 g/mol |
| Exact Mass | 426.15259702 g/mol |
| Topological Polar Surface Area (TPSA) | 132.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of [3,4,5-Triacetyloxy-7-(6-oxo-2,3-dihydropyran-2-yl)hept-6-en-2-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/345-triacetyloxy-7-6-oxo-23-dihydropyran-2-ylhept-6-en-2-yl-acetate.jpg "2D Structure of [3,4,5-Triacetyloxy-7-(6-oxo-2,3-dihydropyran-2-yl)hept-6-en-2-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.57% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.25% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.58% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.60% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.29% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.22% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.26% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.56% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.59% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.85% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.23% | 99.23% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.85% | 89.34% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.73% | 90.08% |
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.
| Hyptis spicigera |
| PubChem | 433420 |
| LOTUS | LTS0187476 |
| wikiData | Q105113465 |