2-Hydroxy-4-[4-methoxy-2-(2-oxononyl)-6-phenylmethoxybenzoyl]oxy-6-methylbenzoic acid
| Internal ID | d109a4e8-5f6e-4444-893e-7a8421a26c8a |
| Taxonomy | Phenylpropanoids and polyketides > Depsides and depsidones |
| IUPAC Name | 2-hydroxy-4-[4-methoxy-2-(2-oxononyl)-6-phenylmethoxybenzoyl]oxy-6-methylbenzoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H36O8/c1-4-5-6-7-11-14-24(33)16-23-17-25(38-3)19-28(39-20-22-12-9-8-10-13-22)30(23)32(37)40-26-15-21(2)29(31(35)36)27(34)18-26/h8-10,12-13,15,17-19,34H,4-7,11,14,16,20H2,1-3H3,(H,35,36) |
| InChI Key | ZLMQYDOFZFJRGA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H36O8 |
| Molecular Weight | 548.60 g/mol |
| Exact Mass | 548.24101810 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 7.50 |
| There are no found synonyms. |
![2D Structure of 2-Hydroxy-4-[4-methoxy-2-(2-oxononyl)-6-phenylmethoxybenzoyl]oxy-6-methylbenzoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-hydroxy-4-4-methoxy-2-2-oxononyl-6-phenylmethoxybenzoyloxy-6-methylbenzoic-acid.jpg "2D Structure of 2-Hydroxy-4-[4-methoxy-2-(2-oxononyl)-6-phenylmethoxybenzoyl]oxy-6-methylbenzoic 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 99.67% | 89.76% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 99.07% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.35% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 97.34% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.10% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.03% | 91.11% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 95.01% | 95.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.59% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.46% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.87% | 95.50% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 90.62% | 91.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.75% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.64% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.95% | 90.00% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 86.61% | 92.67% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.17% | 93.99% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.53% | 96.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.43% | 99.15% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.06% | 96.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.92% | 94.08% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.85% | 82.38% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.28% | 95.89% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163026699 |
| LOTUS | LTS0132757 |
| wikiData | Q105378980 |