2-Amino-5-hydroxyvaleric acid
| Internal ID | c5dfa428-052e-47e6-b553-03991a6c89a6 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids |
| IUPAC Name | 2-amino-5-hydroxypentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C5H11NO3/c6-4(5(8)9)2-1-3-7/h4,7H,1-3,6H2,(H,8,9) |
| InChI Key | CZWARROQQFCFJB-UHFFFAOYSA-N |
| Popularity | 53 references in papers |
| Molecular Formula | C5H11NO3 |
| Molecular Weight | 133.15 g/mol |
| Exact Mass | 133.07389321 g/mol |
| Topological Polar Surface Area (TPSA) | 83.60 Ų |
| XlogP | -4.20 |
| Atomic LogP (AlogP) | -0.83 |
| H-Bond Acceptor | 3 |
| H-Bond Donor | 3 |
| Rotatable Bonds | 4 |
| Hava-5 cpd |
| RefChem:909578 |
| 2-Amino-5-hydroxypentanoic acid |
| 533-88-0 |
| Pentahomoserine |
| 5-Hydroxynorvaline |
| HYDROXYVALINE |
| Norvaline, 5-hydroxy- |
| L-2-Amino-5-hydroxypentanoic acid |
| .delta.-Hydroxynorvaline |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9579 | 95.79% |
| Caco-2 | - | 0.9065 | 90.65% |
| Blood Brain Barrier | + | 0.6250 | 62.50% |
| Human oral bioavailability | + | 0.7143 | 71.43% |
| Subcellular localzation | Lysosomes | 0.4915 | 49.15% |
| OATP2B1 inhibitior | - | 0.8410 | 84.10% |
| OATP1B1 inhibitior | + | 0.9654 | 96.54% |
| OATP1B3 inhibitior | + | 0.9207 | 92.07% |
| MATE1 inhibitior | - | 1.0000 | 100.00% |
| OCT2 inhibitior | - | 0.9250 | 92.50% |
| BSEP inhibitior | - | 0.9620 | 96.20% |
| P-glycoprotein inhibitior | - | 0.9907 | 99.07% |
| P-glycoprotein substrate | - | 0.9778 | 97.78% |
| CYP3A4 substrate | - | 0.7734 | 77.34% |
| CYP2C9 substrate | + | 0.5853 | 58.53% |
| CYP2D6 substrate | - | 0.7806 | 78.06% |
| CYP3A4 inhibition | - | 0.9065 | 90.65% |
| CYP2C9 inhibition | - | 0.9587 | 95.87% |
| CYP2C19 inhibition | - | 0.9621 | 96.21% |
| CYP2D6 inhibition | - | 0.9567 | 95.67% |
| CYP1A2 inhibition | - | 0.9333 | 93.33% |
| CYP2C8 inhibition | - | 0.9909 | 99.09% |
| CYP inhibitory promiscuity | - | 0.9887 | 98.87% |
| UGT catelyzed | + | 0.8000 | 80.00% |
| Carcinogenicity (binary) | - | 0.8200 | 82.00% |
| Carcinogenicity (trinary) | Non-required | 0.7122 | 71.22% |
| Eye corrosion | - | 0.9436 | 94.36% |
| Eye irritation | - | 0.5378 | 53.78% |
| Skin irritation | - | 0.7913 | 79.13% |
| Skin corrosion | + | 0.8105 | 81.05% |
| Ames mutagenesis | - | 0.5700 | 57.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.7505 | 75.05% |
| Micronuclear | - | 0.6200 | 62.00% |
| Hepatotoxicity | - | 0.5590 | 55.90% |
| skin sensitisation | - | 0.9652 | 96.52% |
| Respiratory toxicity | + | 0.5333 | 53.33% |
| Reproductive toxicity | - | 0.7556 | 75.56% |
| Mitochondrial toxicity | + | 0.6750 | 67.50% |
| Nephrotoxicity | - | 0.7427 | 74.27% |
| Acute Oral Toxicity (c) | IV | 0.6829 | 68.29% |
| Estrogen receptor binding | - | 0.9320 | 93.20% |
| Androgen receptor binding | - | 0.7859 | 78.59% |
| Thyroid receptor binding | - | 0.8689 | 86.89% |
| Glucocorticoid receptor binding | - | 0.7902 | 79.02% |
| Aromatase binding | - | 0.8925 | 89.25% |
| PPAR gamma | - | 0.8468 | 84.68% |
| Honey bee toxicity | - | 0.9829 | 98.29% |
| Biodegradation | + | 0.8000 | 80.00% |
| Crustacea aquatic toxicity | - | 0.9600 | 96.00% |
| Fish aquatic toxicity | - | 0.9778 | 97.78% |
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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.66% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.78% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.02% | 96.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.59% | 97.29% |
| CHEMBL236 | P41143 | Delta opioid receptor | 86.41% | 99.35% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 86.39% | 92.29% |
| CHEMBL233 | P35372 | Mu opioid receptor | 86.27% | 97.93% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.19% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.97% | 98.95% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.52% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.30% | 93.56% |
| CHEMBL1795117 | Q8TEK3 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | 80.01% | 93.56% |
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.
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| There are no matching plants. |
| PubChem | 95562 |
| LOTUS | LTS0208447 |
| wikiData | Q27286597 |