(2R,3R)-2-formamido-3-[3-[5-[(1S)-2-formamido-1-hydroxyethyl]-2-hydroxyphenyl]-4-hydroxyphenyl]-3-hydroxypropanoic acid
| Internal ID | 75cc70e7-26dd-486b-9f5b-93c14f139661 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Tyrosine and derivatives |
| IUPAC Name | (2R,3R)-2-formamido-3-[3-[5-[(1S)-2-formamido-1-hydroxyethyl]-2-hydroxyphenyl]-4-hydroxyphenyl]-3-hydroxypropanoic acid |
| SMILES (Canonical) | C1=CC(=C(C=C1C(CNC=O)O)C2=C(C=CC(=C2)C(C(C(=O)O)NC=O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1[C@@H](CNC=O)O)C2=C(C=CC(=C2)[C@H]([C@H](C(=O)O)NC=O)O)O)O |
| InChI | InChI=1S/C19H20N2O8/c22-8-20-7-16(26)10-1-3-14(24)12(5-10)13-6-11(2-4-15(13)25)18(27)17(19(28)29)21-9-23/h1-6,8-9,16-18,24-27H,7H2,(H,20,22)(H,21,23)(H,28,29)/t16-,17-,18-/m1/s1 |
| InChI Key | WQVWUCSBLUJLNT-KZNAEPCWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H20N2O8 |
| Molecular Weight | 404.40 g/mol |
| Exact Mass | 404.12196560 g/mol |
| Topological Polar Surface Area (TPSA) | 176.00 Ų |
| XlogP | -0.60 |
| There are no found synonyms. |
![2D Structure of (2R,3R)-2-formamido-3-[3-[5-[(1S)-2-formamido-1-hydroxyethyl]-2-hydroxyphenyl]-4-hydroxyphenyl]-3-hydroxypropanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/f3b27650-85f6-11ee-bab6-97f41211073c.jpg "2D Structure of (2R,3R)-2-formamido-3-[3-[5-[(1S)-2-formamido-1-hydroxyethyl]-2-hydroxyphenyl]-4-hydroxyphenyl]-3-hydroxypropanoic 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.67% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.09% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.13% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.11% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.97% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.32% | 99.15% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 90.05% | 97.53% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.47% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.07% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.77% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.70% | 99.17% |
| CHEMBL210 | P07550 | Beta-2 adrenergic receptor | 87.51% | 96.90% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.80% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.45% | 90.71% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.74% | 90.24% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.97% | 90.20% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.71% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163050032 |
| LOTUS | LTS0230244 |
| wikiData | Q105311022 |