(4S)-5-hydroxy-4-[[(5S)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohexen-1-yl]amino]pentanoic acid
| Internal ID | 34e53b17-4396-46ca-bb08-0697287e6cf6 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Amino acids and derivatives > Gamma amino acids and derivatives |
| IUPAC Name | (4S)-5-hydroxy-4-[[(5S)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohexen-1-yl]amino]pentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C13H21NO7/c1-21-12-9(4-13(20,7-16)5-10(12)17)14-8(6-15)2-3-11(18)19/h8,14-16,20H,2-7H2,1H3,(H,18,19)/t8-,13-/m0/s1 |
| InChI Key | AOLLRBVQJZTTPF-SDBXPKJASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C13H21NO7 |
| Molecular Weight | 303.31 g/mol |
| Exact Mass | 303.13180201 g/mol |
| Topological Polar Surface Area (TPSA) | 136.00 Ų |
| XlogP | -1.80 |
| There are no found synonyms. |
![2D Structure of (4S)-5-hydroxy-4-[[(5S)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohexen-1-yl]amino]pentanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/b1eaf280-85e0-11ee-b927-c51972d95e46.jpg "2D Structure of (4S)-5-hydroxy-4-[[(5S)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohexen-1-yl]amino]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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.83% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.57% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.85% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.86% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.65% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.41% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.17% | 91.19% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.17% | 98.03% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.89% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.78% | 85.14% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.28% | 93.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.24% | 95.50% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.33% | 90.20% |
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.
| There are no matching plants. |
| PubChem | 163185219 |
| LOTUS | LTS0201765 |
| wikiData | Q104915768 |