3-(Hydroxymethyl)-phenylalanine
| Internal ID | 05fb5e25-30a7-4593-88aa-e561a7874379 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Phenylalanine and derivatives |
| IUPAC Name | (2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid |
| SMILES (Canonical) | C1=CC(=CC(=C1)CO)CC(C(=O)O)N |
| SMILES (Isomeric) | C1=CC(=CC(=C1)CO)C[C@@H](C(=O)O)N |
| InChI | InChI=1S/C10H13NO3/c11-9(10(13)14)5-7-2-1-3-8(4-7)6-12/h1-4,9,12H,5-6,11H2,(H,13,14)/t9-/m0/s1 |
| InChI Key | OGLFMTLLZNGZPP-VIFPVBQESA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C10H13NO3 |
| Molecular Weight | 195.21 g/mol |
| Exact Mass | 195.08954328 g/mol |
| Topological Polar Surface Area (TPSA) | 83.60 Ų |
| XlogP | -2.40 |
| m- Hydroxymethylphenylalanin |
| SCHEMBL1512890 |
| 3-(hydroxymethyl)-phenylalanine |
| OGLFMTLLZNGZPP-VIFPVBQESA-N |
| BDBM50463191 |
| 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 | 96.45% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.15% | 96.09% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.81% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.29% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.30% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.48% | 86.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.77% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.57% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.13% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.73% | 91.11% |
| CHEMBL233 | P35372 | Mu opioid receptor | 82.01% | 97.93% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.84% | 96.95% |
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.
| Iris sibirica |
| PubChem | 67059715 |
| LOTUS | LTS0201117 |
| wikiData | Q105191688 |