(2S,4S)-4-hydroxy-5-[[(1Z)-2-(hydroxymethyl)buta-1,3-dienyl]amino]-5-oxo-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]pentanoic acid
| Internal ID | 9df02bdb-e56b-4328-a033-18fc3ed450d5 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Glutamine and derivatives |
| IUPAC Name | (2S,4S)-4-hydroxy-5-[[(1Z)-2-(hydroxymethyl)buta-1,3-dienyl]amino]-5-oxo-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]pentanoic acid |
| SMILES (Canonical) | C=CC(=CNC(=O)C(CC(C(=O)O)NCC1(C(C(C(CO1)O)O)O)O)O)CO |
| SMILES (Isomeric) | C=C/C(=C/NC(=O)[C@H](C[C@@H](C(=O)O)NC[C@@]1([C@H]([C@@H]([C@@H](CO1)O)O)O)O)O)/CO |
| InChI | InChI=1S/C16H26N2O10/c1-2-8(5-19)4-17-14(24)10(20)3-9(15(25)26)18-7-16(27)13(23)12(22)11(21)6-28-16/h2,4,9-13,18-23,27H,1,3,5-7H2,(H,17,24)(H,25,26)/b8-4-/t9-,10-,11+,12+,13-,16+/m0/s1 |
| InChI Key | PYEDMQSECHECBB-CEXREEHGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H26N2O10 |
| Molecular Weight | 406.38 g/mol |
| Exact Mass | 406.15874503 g/mol |
| Topological Polar Surface Area (TPSA) | 209.00 Ų |
| XlogP | -5.70 |
| There are no found synonyms. |
![2D Structure of (2S,4S)-4-hydroxy-5-[[(1Z)-2-(hydroxymethyl)buta-1,3-dienyl]amino]-5-oxo-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]pentanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/873949b0-83b5-11ee-ae35-1340a9dbaa6f.jpg "2D Structure of (2S,4S)-4-hydroxy-5-[[(1Z)-2-(hydroxymethyl)buta-1,3-dienyl]amino]-5-oxo-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]pentanoic 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 | 98.27% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.07% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.88% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.80% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.08% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.11% | 83.82% |
| CHEMBL4246 | P42680 | Tyrosine-protein kinase TEC | 92.92% | 82.05% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.28% | 91.19% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.52% | 96.38% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.92% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.81% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.45% | 93.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.99% | 94.45% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.65% | 91.24% |
| CHEMBL1801 | P00747 | Plasminogen | 82.88% | 92.44% |
| CHEMBL5028 | O14672 | ADAM10 | 82.16% | 97.50% |
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 | 44474558 |
| LOTUS | LTS0133144 |
| wikiData | Q105216548 |