(2S)-3-(4-hydroxyphenyl)-2-[(3,4,5-trihydroxybenzoyl)amino]propanoic acid
| Internal ID | ed5b4f10-c241-4a3d-9f01-7455ab2d1cb6 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Tyrosine and derivatives |
| IUPAC Name | (2S)-3-(4-hydroxyphenyl)-2-[(3,4,5-trihydroxybenzoyl)amino]propanoic acid |
| SMILES (Canonical) | C1=CC(=CC=C1CC(C(=O)O)NC(=O)C2=CC(=C(C(=C2)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)C2=CC(=C(C(=C2)O)O)O)O |
| InChI | InChI=1S/C16H15NO7/c18-10-3-1-8(2-4-10)5-11(16(23)24)17-15(22)9-6-12(19)14(21)13(20)7-9/h1-4,6-7,11,18-21H,5H2,(H,17,22)(H,23,24)/t11-/m0/s1 |
| InChI Key | GOLUHSBSHMMTQA-NSHDSACASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H15NO7 |
| Molecular Weight | 333.29 g/mol |
| Exact Mass | 333.08485182 g/mol |
| Topological Polar Surface Area (TPSA) | 147.00 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of (2S)-3-(4-hydroxyphenyl)-2-[(3,4,5-trihydroxybenzoyl)amino]propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2s-3-4-hydroxyphenyl-2-345-trihydroxybenzoylaminopropanoic-acid.jpg "2D Structure of (2S)-3-(4-hydroxyphenyl)-2-[(3,4,5-trihydroxybenzoyl)amino]propanoic 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 |
|---|---|---|---|---|
| CHEMBL1255126 | O15151 | Protein Mdm4 | 98.17% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.20% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.19% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.67% | 91.11% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 89.76% | 100.00% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 85.66% | 89.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.34% | 95.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.90% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.07% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 81.97% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.96% | 99.15% |
| CHEMBL1741221 | Q9Y4P1 | Cysteine protease ATG4B | 81.63% | 87.50% |
| CHEMBL2216739 | Q92523 | Carnitine O-palmitoyltransferase 1, muscle isoform | 81.50% | 88.33% |
| CHEMBL2095164 | P49354 | Geranylgeranyl transferase type I | 81.46% | 92.80% |
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.
| Dryopteris dilatata |
| Inga laurina |
| PubChem | 117628061 |
| LOTUS | LTS0113505 |
| wikiData | Q105227536 |