2-acetamido-3-(7-methoxy-2-methylidene-3-oxo-4H-1,4-benzoxazine-5-carbonyl)sulfanylpropanoic acid
| Internal ID | 532bf8c8-c8cf-44b5-9112-bc34de446d2b |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids |
| IUPAC Name | 2-acetamido-3-(7-methoxy-2-methylidene-3-oxo-4H-1,4-benzoxazine-5-carbonyl)sulfanylpropanoic acid |
| SMILES (Canonical) | CC(=O)NC(CSC(=O)C1=C2C(=CC(=C1)OC)OC(=C)C(=O)N2)C(=O)O |
| SMILES (Isomeric) | CC(=O)NC(CSC(=O)C1=C2C(=CC(=C1)OC)OC(=C)C(=O)N2)C(=O)O |
| InChI | InChI=1S/C16H16N2O7S/c1-7-14(20)18-13-10(4-9(24-3)5-12(13)25-7)16(23)26-6-11(15(21)22)17-8(2)19/h4-5,11H,1,6H2,2-3H3,(H,17,19)(H,18,20)(H,21,22) |
| InChI Key | YGSOEFLROPFWTN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H16N2O7S |
| Molecular Weight | 380.40 g/mol |
| Exact Mass | 380.06782203 g/mol |
| Topological Polar Surface Area (TPSA) | 156.00 Ų |
| XlogP | 0.80 |
| 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 | 99.11% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.71% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.43% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.42% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.40% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.60% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.30% | 90.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.67% | 95.50% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 88.69% | 92.29% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.05% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.56% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.55% | 86.33% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.32% | 90.20% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.67% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.59% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.79% | 96.00% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 83.04% | 81.11% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.85% | 97.28% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 82.66% | 80.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162987332 |
| LOTUS | LTS0109184 |
| wikiData | Q104201688 |