Methyl (S)-8-hydroxy-6-methoxy-5-methyl-4a-(3-oxobutan-2-yl)benzoate
| Internal ID | 7eaf1aaa-c110-4e33-afe3-20192377b051 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Methoxybenzoic acids and derivatives > P-methoxybenzoic acids and derivatives |
| IUPAC Name | methyl 6-hydroxy-4-methoxy-3-methyl-2-[(2S)-3-oxobutan-2-yl]benzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H18O5/c1-7(9(3)15)12-8(2)11(18-4)6-10(16)13(12)14(17)19-5/h6-7,16H,1-5H3/t7-/m1/s1 |
| InChI Key | SMOXLKTYOHPSFE-SSDOTTSWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C14H18O5 |
| Molecular Weight | 266.29 g/mol |
| Exact Mass | 266.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 2.50 |
| methyl 6-hydroxy-4-methoxy-3-methyl-2-[(2S)-3-oxobutan-2-yl]benzoate |
| methyl 6-hydroxy-4-methoxy-3-methyl-2-((2S)-3-oxobutan-2-yl)benzoate |
| Methyl 6-hydroxy-4-methoxy-3-methyl-2-((2S)-3-oxobutan-2-yl)benzoic acid |
| Methyl 6-hydroxy-4-methoxy-3-methyl-2-[(2S)-3-oxobutan-2-yl]benzoic acid |
| RefChem:157125 |
| Methyl (S)-8-hydroxy-6-methoxy-5-methyl-4a-(3-oxobutan-2-yl)benzoic acid |
| CHEBI:222298 |
| DTXSID601349734 |
| 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 | 96.12% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.38% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.11% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.81% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.96% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.48% | 99.15% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.28% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.18% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 86.13% | 90.20% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.74% | 97.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.20% | 98.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.58% | 95.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.18% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.05% | 94.00% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 81.69% | 95.39% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.20% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.62% | 95.56% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 145720683 |
| LOTUS | LTS0111097 |
| wikiData | Q105256077 |