[(2S)-2-ethylhexyl] 2-[4-[(E)-(2-oxo-1H-indol-3-ylidene)-phenylmethoxy]phenyl]acetate
| Internal ID | 2d390f2d-1695-44e7-9750-5b7994a60e5e |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives |
| IUPAC Name | [(2S)-2-ethylhexyl] 2-[4-[(E)-(2-oxo-1H-indol-3-ylidene)-phenylmethoxy]phenyl]acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H33NO4/c1-3-5-11-22(4-2)21-35-28(33)20-23-16-18-25(19-17-23)36-30(24-12-7-6-8-13-24)29-26-14-9-10-15-27(26)32-31(29)34/h6-10,12-19,22H,3-5,11,20-21H2,1-2H3,(H,32,34)/b30-29+/t22-/m0/s1 |
| InChI Key | DGWRIHOXTOJRIO-RDGOZCQJSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C31H33NO4 |
| Molecular Weight | 483.60 g/mol |
| Exact Mass | 483.24095853 g/mol |
| Topological Polar Surface Area (TPSA) | 64.60 Ų |
| XlogP | 7.10 |
| There are no found synonyms. |
![2D Structure of [(2S)-2-ethylhexyl] 2-[4-[(E)-(2-oxo-1H-indol-3-ylidene)-phenylmethoxy]phenyl]acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2s-2-ethylhexyl-2-4-e-2-oxo-1h-indol-3-ylidene-phenylmethoxyphenylacetate.jpg "2D Structure of [(2S)-2-ethylhexyl] 2-[4-[(E)-(2-oxo-1H-indol-3-ylidene)-phenylmethoxy]phenyl]acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 99.63% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.25% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.83% | 96.09% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 95.00% | 93.31% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.66% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.02% | 86.33% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 93.36% | 94.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.15% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 93.13% | 94.62% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 91.74% | 91.71% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.55% | 82.69% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.92% | 95.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.55% | 98.75% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 88.51% | 92.67% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 88.01% | 94.97% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.13% | 98.03% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 86.51% | 92.88% |
| CHEMBL4531 | P17931 | Galectin-3 | 85.41% | 96.90% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.20% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.54% | 90.71% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.62% | 89.63% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 80.79% | 83.00% |
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.
| Isatis costata |
| PubChem | 163194886 |
| LOTUS | LTS0188163 |
| wikiData | Q104979424 |