(2S)-2-(3,4,5-trihydroxybenzoyl)oxybutanedioic acid
Internal ID | 699e1fe5-9677-450a-b554-70d725918d21 |
Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives > Gallic acid and derivatives > Galloyl esters |
IUPAC Name | (2S)-2-(3,4,5-trihydroxybenzoyl)oxybutanedioic acid |
SMILES (Canonical) | C1=C(C=C(C(=C1O)O)O)C(=O)OC(CC(=O)O)C(=O)O |
SMILES (Isomeric) | C1=C(C=C(C(=C1O)O)O)C(=O)O[C@@H](CC(=O)O)C(=O)O |
InChI | InChI=1S/C11H10O9/c12-5-1-4(2-6(13)9(5)16)11(19)20-7(10(17)18)3-8(14)15/h1-2,7,12-13,16H,3H2,(H,14,15)(H,17,18)/t7-/m0/s1 |
InChI Key | NSOJLVUORKKGRI-ZETCQYMHSA-N |
Popularity | 0 references in papers |
Molecular Formula | C11H10O9 |
Molecular Weight | 286.19 g/mol |
Exact Mass | 286.03248189 g/mol |
Topological Polar Surface Area (TPSA) | 162.00 Ų |
XlogP | -0.20 |
There are no found synonyms. |
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 | 98.05% | 91.11% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.83% | 99.17% |
CHEMBL3194 | P02766 | Transthyretin | 90.49% | 90.71% |
CHEMBL2581 | P07339 | Cathepsin D | 90.01% | 98.95% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.78% | 99.15% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.91% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.12% | 86.33% |
CHEMBL1255126 | O15151 | Protein Mdm4 | 82.66% | 90.20% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.46% | 95.17% |
CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.09% | 100.00% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.59% | 96.00% |
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.
To see more specific details click the taxa you are interested in.
Phyllanthus emblica |
PubChem | 101010963 |
LOTUS | LTS0248551 |
wikiData | Q105185170 |