2-[7-[(1S)-1-(4-hydroxyphenyl)ethyl]-4-methoxy-1H-indol-3-yl]acetonitrile
| Internal ID | baee0ad4-64fa-4da4-a7f6-9b6a344a1f35 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | 2-[7-[(1S)-1-(4-hydroxyphenyl)ethyl]-4-methoxy-1H-indol-3-yl]acetonitrile |
| SMILES (Canonical) | CC(C1=CC=C(C=C1)O)C2=C3C(=C(C=C2)OC)C(=CN3)CC#N |
| SMILES (Isomeric) | C[C@@H](C1=CC=C(C=C1)O)C2=C3C(=C(C=C2)OC)C(=CN3)CC#N |
| InChI | InChI=1S/C19H18N2O2/c1-12(13-3-5-15(22)6-4-13)16-7-8-17(23-2)18-14(9-10-20)11-21-19(16)18/h3-8,11-12,21-22H,9H2,1-2H3/t12-/m0/s1 |
| InChI Key | VSFGQNYRFGEQHT-LBPRGKRZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H18N2O2 |
| Molecular Weight | 306.40 g/mol |
| Exact Mass | 306.136827821 g/mol |
| Topological Polar Surface Area (TPSA) | 69.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of 2-[7-[(1S)-1-(4-hydroxyphenyl)ethyl]-4-methoxy-1H-indol-3-yl]acetonitrile](https://plantaedb.com/storage/docs/compounds/2023/07/2-7-1s-1-4-hydroxyphenylethyl-4-methoxy-1h-indol-3-ylacetonitrile.jpg "2D Structure of 2-[7-[(1S)-1-(4-hydroxyphenyl)ethyl]-4-methoxy-1H-indol-3-yl]acetonitrile")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.28% | 96.09% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 96.40% | 90.20% |
| CHEMBL2535 | P11166 | Glucose transporter | 95.81% | 98.75% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 94.83% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.75% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.27% | 91.11% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 93.67% | 89.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.95% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.77% | 94.45% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 88.25% | 83.10% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.99% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.05% | 99.17% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 83.39% | 98.35% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.45% | 96.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.35% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.12% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.39% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.40% | 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.
| Isatis tinctoria |
| PubChem | 60155950 |
| NPASS | NPC11464 |
| ChEMBL | CHEMBL2063175 |
| LOTUS | LTS0268341 |
| wikiData | Q103816643 |