[6-Acetyloxy-1-(6-oxo-2,3-dihydropyran-2-yl)-8-phenylocta-1,7-dien-4-yl] acetate
| Internal ID | d5024ee8-8a2c-4522-86d3-7f49f1d6f90c |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives |
| IUPAC Name | [6-acetyloxy-1-(6-oxo-2,3-dihydropyran-2-yl)-8-phenylocta-1,7-dien-4-yl] acetate |
| SMILES (Canonical) | CC(=O)OC(CC=CC1CC=CC(=O)O1)CC(C=CC2=CC=CC=C2)OC(=O)C |
| SMILES (Isomeric) | CC(=O)OC(CC=CC1CC=CC(=O)O1)CC(C=CC2=CC=CC=C2)OC(=O)C |
| InChI | InChI=1S/C23H26O6/c1-17(24)27-21(12-6-10-20-11-7-13-23(26)29-20)16-22(28-18(2)25)15-14-19-8-4-3-5-9-19/h3-10,13-15,20-22H,11-12,16H2,1-2H3 |
| InChI Key | PQFQACSEOSBOSI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H26O6 |
| Molecular Weight | 398.40 g/mol |
| Exact Mass | 398.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of [6-Acetyloxy-1-(6-oxo-2,3-dihydropyran-2-yl)-8-phenylocta-1,7-dien-4-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/6-acetyloxy-1-6-oxo-23-dihydropyran-2-yl-8-phenylocta-17-dien-4-yl-acetate.jpg "2D Structure of [6-Acetyloxy-1-(6-oxo-2,3-dihydropyran-2-yl)-8-phenylocta-1,7-dien-4-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.32% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.45% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.82% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.98% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.27% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.26% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.31% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.96% | 93.56% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 84.55% | 94.08% |
| CHEMBL5028 | O14672 | ADAM10 | 83.62% | 97.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.84% | 94.73% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.12% | 94.62% |
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.
| Cryptocarya moschata |
| Livistona chinensis |
| PubChem | 162820238 |
| LOTUS | LTS0079978 |
| wikiData | Q105384528 |