(+)-neoechinulin A
| Internal ID | 676a1e5a-ef02-447c-b0d4-b4ef3a44ccf2 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | (3R,6Z)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione |
| SMILES (Canonical) | CC1C(=O)NC(=CC2=C(NC3=CC=CC=C32)C(C)(C)C=C)C(=O)N1 |
| SMILES (Isomeric) | C[C@@H]1C(=O)N/C(=C\C2=C(NC3=CC=CC=C32)C(C)(C)C=C)/C(=O)N1 |
| InChI | InChI=1S/C19H21N3O2/c1-5-19(3,4)16-13(12-8-6-7-9-14(12)21-16)10-15-18(24)20-11(2)17(23)22-15/h5-11,21H,1H2,2-4H3,(H,20,24)(H,22,23)/b15-10-/t11-/m1/s1 |
| InChI Key | MYRPIYZIAHOECW-MKVLZVNKSA-N |
| Popularity | 8 references in papers |
| Molecular Formula | C19H21N3O2 |
| Molecular Weight | 323.40 g/mol |
| Exact Mass | 323.16337692 g/mol |
| Topological Polar Surface Area (TPSA) | 74.00 Ų |
| XlogP | 3.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.96% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.00% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.54% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.34% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.97% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.34% | 91.49% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.69% | 90.08% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 89.15% | 81.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.04% | 99.23% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 88.17% | 88.56% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 86.84% | 92.97% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.82% | 89.00% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 85.37% | 94.23% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.03% | 94.62% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.95% | 93.03% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.68% | 94.80% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.51% | 93.31% |
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 | 51340279 |
| LOTUS | LTS0131690 |
| wikiData | Q105175134 |