(2S,7S)-7-amino-2-(2-hydroxy-3-methoxy-6-methylbenzoyl)-2-methyl-1,3-oxazocane-4,8-dione
| Internal ID | fa4ef5ef-ef80-47b9-9eff-2a5dbc709cd6 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acid esters |
| IUPAC Name | (2S,7S)-7-amino-2-(2-hydroxy-3-methoxy-6-methylbenzoyl)-2-methyl-1,3-oxazocane-4,8-dione |
| SMILES (Canonical) | CC1=C(C(=C(C=C1)OC)O)C(=O)C2(NC(=O)CCC(C(=O)O2)N)C |
| SMILES (Isomeric) | CC1=C(C(=C(C=C1)OC)O)C(=O)[C@]2(NC(=O)CC[C@@H](C(=O)O2)N)C |
| InChI | InChI=1S/C16H20N2O6/c1-8-4-6-10(23-3)13(20)12(8)14(21)16(2)18-11(19)7-5-9(17)15(22)24-16/h4,6,9,20H,5,7,17H2,1-3H3,(H,18,19)/t9-,16-/m0/s1 |
| InChI Key | SUPKVFVCJYCZRK-FVMDXXJSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H20N2O6 |
| Molecular Weight | 336.34 g/mol |
| Exact Mass | 336.13213636 g/mol |
| Topological Polar Surface Area (TPSA) | 128.00 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
| 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 | 98.83% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.86% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.80% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.99% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.71% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.54% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.46% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.52% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.27% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.24% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.12% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.54% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.10% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.43% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.43% | 94.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.66% | 93.99% |
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 | 162876000 |
| LOTUS | LTS0221051 |
| wikiData | Q105261250 |