[3-(3-acetyloxyprop-1-enyl)-7-hydroxy-7-methyl-8-oxo-5,6-dihydro-1H-isochromen-6-yl] 2,4-dihydroxy-6-methylbenzoate
| Internal ID | 13284699-ae21-470e-bd01-df3334941ab4 |
| Taxonomy | Organoheterocyclic compounds > Azaphilones |
| IUPAC Name | [3-(3-acetyloxyprop-1-enyl)-7-hydroxy-7-methyl-8-oxo-5,6-dihydro-1H-isochromen-6-yl] 2,4-dihydroxy-6-methylbenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H24O9/c1-12-7-15(25)10-18(26)20(12)22(28)32-19-9-14-8-16(5-4-6-30-13(2)24)31-11-17(14)21(27)23(19,3)29/h4-5,7-8,10,19,25-26,29H,6,9,11H2,1-3H3 |
| InChI Key | ZDAMBVJOZXCGPS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H24O9 |
| Molecular Weight | 444.40 g/mol |
| Exact Mass | 444.14203234 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of [3-(3-acetyloxyprop-1-enyl)-7-hydroxy-7-methyl-8-oxo-5,6-dihydro-1H-isochromen-6-yl] 2,4-dihydroxy-6-methylbenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/22ee7b10-8572-11ee-a982-07ed42ad54b8.jpg "2D Structure of [3-(3-acetyloxyprop-1-enyl)-7-hydroxy-7-methyl-8-oxo-5,6-dihydro-1H-isochromen-6-yl] 2,4-dihydroxy-6-methylbenzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.52% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.86% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.22% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.86% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.75% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.59% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.74% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.55% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.54% | 90.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.07% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.84% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.77% | 94.75% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.85% | 94.80% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.35% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.20% | 99.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.47% | 92.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.41% | 99.17% |
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.
| There are no matching plants. |
| PubChem | 72777749 |
| LOTUS | LTS0128886 |
| wikiData | Q104202299 |