3-[(2,4-Dihydroxy-6-propylbenzoyl)oxy]-2-hydroxy-4-methoxy-6-propylbenzoic acid
| Internal ID | e439c381-893f-4104-b527-ed557f25e312 |
| Taxonomy | Phenylpropanoids and polyketides > Depsides and depsidones |
| IUPAC Name | 3-(2,4-dihydroxy-6-propylbenzoyl)oxy-2-hydroxy-4-methoxy-6-propylbenzoic acid |
| SMILES (Canonical) | CCCC1=CC(=C(C(=C1C(=O)O)O)OC(=O)C2=C(C=C(C=C2O)O)CCC)OC |
| SMILES (Isomeric) | CCCC1=CC(=C(C(=C1C(=O)O)O)OC(=O)C2=C(C=C(C=C2O)O)CCC)OC |
| InChI | InChI=1S/C21H24O8/c1-4-6-11-8-13(22)10-14(23)16(11)21(27)29-19-15(28-3)9-12(7-5-2)17(18(19)24)20(25)26/h8-10,22-24H,4-7H2,1-3H3,(H,25,26) |
| InChI Key | DMDOBFFDDKYHES-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24O8 |
| Molecular Weight | 404.40 g/mol |
| Exact Mass | 404.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 5.50 |
| DTXSID80702070 |
| 3-[(2,4-Dihydroxy-6-propylbenzoyl)oxy]-2-hydroxy-4-methoxy-6-propylbenzoic acid |
![2D Structure of 3-[(2,4-Dihydroxy-6-propylbenzoyl)oxy]-2-hydroxy-4-methoxy-6-propylbenzoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3-24-dihydroxy-6-propylbenzoyloxy-2-hydroxy-4-methoxy-6-propylbenzoic-acid.jpg "2D Structure of 3-[(2,4-Dihydroxy-6-propylbenzoyl)oxy]-2-hydroxy-4-methoxy-6-propylbenzoic acid")
| 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 | 95.77% | 96.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 95.01% | 95.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.98% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.47% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.65% | 98.95% |
| CHEMBL3194 | P02766 | Transthyretin | 92.64% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.89% | 91.11% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 87.18% | 94.42% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.43% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.20% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.32% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.98% | 94.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.52% | 96.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 82.35% | 90.20% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.74% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.16% | 95.56% |
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.
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| There are no matching plants. |
| PubChem | 53439657 |
| LOTUS | LTS0127926 |
| wikiData | Q82633873 |