2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic Acid
| Internal ID | 9eb4b3fe-d205-45fd-931b-200e5db2489d |
| Taxonomy | Phenylpropanoids and polyketides > Phenylpropanoic acids |
| IUPAC Name | 2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid |
| SMILES (Canonical) | C1=CC(=CC=C1CC(CC(=O)O)(C(=O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1CC(CC(=O)O)(C(=O)O)O)O |
| InChI | InChI=1S/C11H12O6/c12-8-3-1-7(2-4-8)5-11(17,10(15)16)6-9(13)14/h1-4,12,17H,5-6H2,(H,13,14)(H,15,16) |
| InChI Key | XLGKDRSWPCQYAB-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C11H12O6 |
| Molecular Weight | 240.21 g/mol |
| Exact Mass | 240.06338810 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 0.10 |
| 2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic Acid |
| Eucomic acid |
| 2-Hydroxy-2-(4-hydroxybenzyl)succinic acid |
| 2-Hydroxy-2-((4-hydroxyphenyl)methyl)butanedioic acid |
| 2-(4-Hydroxybenzyl)apfelsaure |
| SCHEMBL12466852 |
| Butanedioic acid, 2-hydroxy-2-((4-hydroxyphenyl)methyl)- |
| DTXSID60962312 |
| CHEBI:139429 |
| FS-8439 |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of 2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic Acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-hydroxy-2-4-hydroxyphenylmethylbutanedioic-acid.jpg "2D Structure of 2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.25% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.06% | 96.09% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.97% | 94.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.72% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.26% | 91.11% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 84.56% | 90.93% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.17% | 98.75% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.84% | 85.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.66% | 83.82% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.58% | 95.50% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 80.77% | 94.97% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.38% | 95.56% |
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.
| Crotalaria sessiliflora |
| Dalea gattingeri |
| Lotus corniculatus subsp. corniculatus |
| Papilionanthe teres |
| Prosthechea michuacana |
| PubChem | 181726 |
| LOTUS | LTS0061368 |
| wikiData | Q82943966 |