N-malonyl-d-tryptophan
Internal ID | 223101c8-d3bf-46a6-8107-7663ec5976ae |
Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indolyl carboxylic acids and derivatives |
IUPAC Name | 2-(2,4-dioxoazetidin-1-yl)-3-(1H-indol-3-yl)propanoic acid |
SMILES (Canonical) | C1C(=O)N(C1=O)C(CC2=CNC3=CC=CC=C32)C(=O)O |
SMILES (Isomeric) | C1C(=O)N(C1=O)C(CC2=CNC3=CC=CC=C32)C(=O)O |
InChI | InChI=1S/C14H12N2O4/c17-12-6-13(18)16(12)11(14(19)20)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,19,20) |
InChI Key | IMEFCKUOVURQRP-UHFFFAOYSA-N |
Popularity | 20 references in papers |
Molecular Formula | C14H12N2O4 |
Molecular Weight | 272.26 g/mol |
Exact Mass | 272.07970687 g/mol |
Topological Polar Surface Area (TPSA) | 90.50 Ų |
XlogP | 1.30 |
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 | 98.32% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 96.01% | 98.95% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.13% | 95.56% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.88% | 96.09% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.52% | 83.82% |
CHEMBL2535 | P11166 | Glucose transporter | 88.32% | 98.75% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.03% | 89.00% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.15% | 93.99% |
CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 83.60% | 88.56% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.48% | 99.23% |
CHEMBL4208 | P20618 | Proteasome component C5 | 82.26% | 90.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.14% | 94.45% |
CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 80.67% | 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.
Triticum aestivum |
PubChem | 76084327 |
LOTUS | LTS0050524 |
wikiData | Q105115623 |