1-[3-(2-hydroxy-3-methylbut-3-enyl)-1H-indol-5-yl]-3-methylbut-2-en-1-one
| Internal ID | d2f2a268-c952-400b-b7aa-b9689c725f0f |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | 1-[3-(2-hydroxy-3-methylbut-3-enyl)-1H-indol-5-yl]-3-methylbut-2-en-1-one |
| SMILES (Canonical) | CC(=CC(=O)C1=CC2=C(C=C1)NC=C2CC(C(=C)C)O)C |
| SMILES (Isomeric) | CC(=CC(=O)C1=CC2=C(C=C1)NC=C2CC(C(=C)C)O)C |
| InChI | InChI=1S/C18H21NO2/c1-11(2)7-18(21)13-5-6-16-15(8-13)14(10-19-16)9-17(20)12(3)4/h5-8,10,17,19-20H,3,9H2,1-2,4H3 |
| InChI Key | SUIBWCZNINPRMW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H21NO2 |
| Molecular Weight | 283.40 g/mol |
| Exact Mass | 283.157228913 g/mol |
| Topological Polar Surface Area (TPSA) | 53.10 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 1-[3-(2-hydroxy-3-methylbut-3-enyl)-1H-indol-5-yl]-3-methylbut-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/1-3-2-hydroxy-3-methylbut-3-enyl-1h-indol-5-yl-3-methylbut-2-en-1-one.jpg "2D Structure of 1-[3-(2-hydroxy-3-methylbut-3-enyl)-1H-indol-5-yl]-3-methylbut-2-en-1-one")
| 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 | 96.94% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.77% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.74% | 96.09% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 89.57% | 90.20% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.99% | 89.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.71% | 89.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.41% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.61% | 90.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.40% | 83.82% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.08% | 91.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.94% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.79% | 95.56% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 84.43% | 95.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.67% | 97.21% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 83.62% | 83.10% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.62% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.39% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.56% | 85.14% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 80.28% | 95.00% |
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.
| Isolona congolana |
| PubChem | 101682303 |
| LOTUS | LTS0126927 |
| wikiData | Q105260957 |