Methyl 4-[4-(2-acetyloxy-4-methoxy-6-methylbenzoyl)oxy-2-hydroxy-6-methylbenzoyl]oxy-2-hydroxy-6-methylbenzoate
| Internal ID | f5e2e0d7-8c18-40c1-b7fa-a8f8d4ae0c44 |
| Taxonomy | Phenylpropanoids and polyketides > Depsides and depsidones |
| IUPAC Name | methyl 4-[4-(2-acetyloxy-4-methoxy-6-methylbenzoyl)oxy-2-hydroxy-6-methylbenzoyl]oxy-2-hydroxy-6-methylbenzoate |
| SMILES (Canonical) | CC1=CC(=CC(=C1C(=O)OC)O)OC(=O)C2=C(C=C(C=C2C)OC(=O)C3=C(C=C(C=C3C)OC)OC(=O)C)O |
| SMILES (Isomeric) | CC1=CC(=CC(=C1C(=O)OC)O)OC(=O)C2=C(C=C(C=C2C)OC(=O)C3=C(C=C(C=C3C)OC)OC(=O)C)O |
| InChI | InChI=1S/C28H26O11/c1-13-8-18(10-20(30)23(13)26(32)36-6)38-27(33)24-14(2)9-19(11-21(24)31)39-28(34)25-15(3)7-17(35-5)12-22(25)37-16(4)29/h7-12,30-31H,1-6H3 |
| InChI Key | BUCICDCMTFJVJR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H26O11 |
| Molecular Weight | 538.50 g/mol |
| Exact Mass | 538.14751164 g/mol |
| Topological Polar Surface Area (TPSA) | 155.00 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of Methyl 4-[4-(2-acetyloxy-4-methoxy-6-methylbenzoyl)oxy-2-hydroxy-6-methylbenzoyl]oxy-2-hydroxy-6-methylbenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/aeec4d00-83f8-11ee-b48b-99a7fa2f382a.jpg "2D Structure of Methyl 4-[4-(2-acetyloxy-4-methoxy-6-methylbenzoyl)oxy-2-hydroxy-6-methylbenzoyl]oxy-2-hydroxy-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 | 96.78% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.36% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.12% | 99.15% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.56% | 91.07% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.37% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.71% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.57% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.30% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.09% | 94.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.69% | 95.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.18% | 90.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.05% | 97.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.39% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.20% | 95.56% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.87% | 93.65% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.68% | 96.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.57% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.55% | 94.45% |
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 | 162939093 |
| LOTUS | LTS0079825 |
| wikiData | Q104946020 |