Oxypinnatanine
| Internal ID | 03dd15e5-a846-40a3-9c48-230c5d6aa27f |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Glutamine and derivatives |
| IUPAC Name | 2-amino-4-hydroxy-5-[[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]amino]-5-oxopentanoic acid |
| SMILES (Canonical) | C1C=C(C(O1)NC(=O)C(CC(C(=O)O)N)O)CO |
| SMILES (Isomeric) | C1C=C(C(O1)NC(=O)C(CC(C(=O)O)N)O)CO |
| InChI | InChI=1S/C10H16N2O6/c11-6(10(16)17)3-7(14)8(15)12-9-5(4-13)1-2-18-9/h1,6-7,9,13-14H,2-4,11H2,(H,12,15)(H,16,17) |
| InChI Key | FKPGGSOHTXQOGP-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C10H16N2O6 |
| Molecular Weight | 260.24 g/mol |
| Exact Mass | 260.10083623 g/mol |
| Topological Polar Surface Area (TPSA) | 142.00 Ų |
| XlogP | -4.90 |
| SCHEMBL15494345 |
| CHEBI:174406 |
| N-[2,5-Dihydro-3-(hydroxymethyl)-2-furanyl]-4-hydroxyglutamine, 9CI |
| 2-amino-4-hydroxy-4-{[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]carbamoyl}butanoic acid |
| 2-amino-4-hydroxy-5-[[3-(hydroxymethyl)-2,5-dihydrouran-2-yl]amino]-5-oxopentanoic 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 | 98.35% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.05% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.33% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.43% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.36% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.08% | 97.09% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 87.38% | 92.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.21% | 93.56% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 84.98% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.30% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.10% | 96.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.04% | 83.82% |
| CHEMBL5028 | O14672 | ADAM10 | 80.90% | 97.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.57% | 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.
| Hemerocallis fulva |
| PubChem | 14779021 |
| LOTUS | LTS0204431 |
| wikiData | Q104397346 |