(4-Methoxy-4-oxobutan-2-yl) 2-[2-[3-(3,4-dihydroxybutanoyloxy)butanoyloxy]propyl]-4,6-dihydroxybenzoate
| Internal ID | 7f24a888-30fa-4f04-aeb0-6f99cb874b26 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | (4-methoxy-4-oxobutan-2-yl) 2-[2-[3-(3,4-dihydroxybutanoyloxy)butanoyloxy]propyl]-4,6-dihydroxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H32O12/c1-12(33-20(29)7-13(2)34-21(30)10-17(26)11-24)5-15-8-16(25)9-18(27)22(15)23(31)35-14(3)6-19(28)32-4/h8-9,12-14,17,24-27H,5-7,10-11H2,1-4H3 |
| InChI Key | COTGXQLEZUUFKB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H32O12 |
| Molecular Weight | 500.50 g/mol |
| Exact Mass | 500.18937645 g/mol |
| Topological Polar Surface Area (TPSA) | 186.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of (4-Methoxy-4-oxobutan-2-yl) 2-[2-[3-(3,4-dihydroxybutanoyloxy)butanoyloxy]propyl]-4,6-dihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/40baf780-86da-11ee-a7b7-d1be3d1a8c58.jpg "2D Structure of (4-Methoxy-4-oxobutan-2-yl) 2-[2-[3-(3,4-dihydroxybutanoyloxy)butanoyloxy]propyl]-4,6-dihydroxybenzoate")
| 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 | 97.52% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.27% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.30% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.43% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.07% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.27% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.76% | 98.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.33% | 99.15% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.81% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.79% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.89% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.59% | 90.71% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.53% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.40% | 96.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.60% | 95.89% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 80.12% | 96.12% |
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 | 139583094 |
| LOTUS | LTS0217294 |
| wikiData | Q75052734 |