methyl (2Z)-2-hydroxyimino-3-[7-[(1E)-3-methylbuta-1,3-dienyl]-1H-indol-3-yl]propanoate
| Internal ID | 382bf5f4-7c36-4690-9726-3fd4e16e7160 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indolyl carboxylic acids and derivatives |
| IUPAC Name | methyl (2Z)-2-hydroxyimino-3-[7-[(1E)-3-methylbuta-1,3-dienyl]-1H-indol-3-yl]propanoate |
| SMILES (Canonical) | CC(=C)C=CC1=C2C(=CC=C1)C(=CN2)CC(=NO)C(=O)OC |
| SMILES (Isomeric) | CC(=C)/C=C/C1=C2C(=CC=C1)C(=CN2)C/C(=N/O)/C(=O)OC |
| InChI | InChI=1S/C17H18N2O3/c1-11(2)7-8-12-5-4-6-14-13(10-18-16(12)14)9-15(19-21)17(20)22-3/h4-8,10,18,21H,1,9H2,2-3H3/b8-7+,19-15- |
| InChI Key | DXWANSGMSJGOET-RIRNTOMFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H18N2O3 |
| Molecular Weight | 298.34 g/mol |
| Exact Mass | 298.13174244 g/mol |
| Topological Polar Surface Area (TPSA) | 74.70 Ų |
| XlogP | 4.60 |
| methyl (2Z)-2-hydroxyimino-3-[7-[(1E)-3-methylbuta-1,3-dienyl]-1H-indol-3-yl]propanoate |
| methyl (2E)-2-hydroxyimino-3-(7-((1E)-3-methylbuta-1,3-dienyl)-1H-indol-3-yl)propanoate |
| methyl (2E)-2-hydroxyimino-3-[7-[(1E)-3-methylbuta-1,3-dienyl]-1H-indol-3-yl]propanoate |
| methyl (2Z)-2-hydroxyimino-3-(7-((1E)-3-methylbuta-1,3-dienyl)-1H-indol-3-yl)propanoate |
| RefChem:154401 |
| SCHEMBL29788174 |
| CHEBI:210741 |
![2D Structure of methyl (2Z)-2-hydroxyimino-3-[7-[(1E)-3-methylbuta-1,3-dienyl]-1H-indol-3-yl]propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-2z-2-hydroxyimino-3-7-1e-3-methylbuta-13-dienyl-1h-indol-3-ylpropanoate.jpg "2D Structure of methyl (2Z)-2-hydroxyimino-3-[7-[(1E)-3-methylbuta-1,3-dienyl]-1H-indol-3-yl]propanoate")
| 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 | 98.18% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.68% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.62% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.04% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.56% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.33% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.26% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.24% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.13% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.92% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.28% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.43% | 89.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 101550988 |
| LOTUS | LTS0128945 |
| wikiData | Q104991225 |