Rabdoketone B
| Internal ID | c466e125-d464-4b93-a47f-e429df0c5c66 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aryl ketones |
| IUPAC Name | 3-methyl-1-(5-methylfuran-3-yl)but-2-en-1-one |
| SMILES (Canonical) | CC1=CC(=CO1)C(=O)C=C(C)C |
| SMILES (Isomeric) | CC1=CC(=CO1)C(=O)C=C(C)C |
| InChI | InChI=1S/C10H12O2/c1-7(2)4-10(11)9-5-8(3)12-6-9/h4-6H,1-3H3 |
| InChI Key | WHHCRTQLINGYSY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.20 g/mol |
| Exact Mass | 164.083729621 g/mol |
| Topological Polar Surface Area (TPSA) | 30.20 Ų |
| XlogP | 2.50 |
| 174819-51-3 |
| 3-methyl-1-(5-methylfuran-3-yl)but-2-en-1-one |
| AKOS032962626 |
| 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 |
|---|---|---|---|---|
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.18% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.35% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.43% | 86.33% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 85.39% | 87.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.26% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.02% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.55% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.97% | 90.00% |
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.
| Isodon eriocalyx |
| PubChem | 10797103 |
| LOTUS | LTS0104923 |
| wikiData | Q105305310 |