5-(Chloromethyl)-3-methylfuran-2(5H)-one
| Internal ID | 28c91877-8d7b-4d22-862f-4c5e3e12ea77 |
| Taxonomy | Organoheterocyclic compounds > Dihydrofurans > Furanones > Butenolides |
| IUPAC Name | 2-(chloromethyl)-4-methyl-2H-furan-5-one |
| SMILES (Canonical) | CC1=CC(OC1=O)CCl |
| SMILES (Isomeric) | CC1=CC(OC1=O)CCl |
| InChI | InChI=1S/C6H7ClO2/c1-4-2-5(3-7)9-6(4)8/h2,5H,3H2,1H3 |
| InChI Key | RWOREBHQQOTRGU-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C6H7ClO2 |
| Molecular Weight | 146.57 g/mol |
| Exact Mass | 146.0134572 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 1.20 |
| 5-(Chloromethyl)-3-methylfuran-2(5H)-one |
| Clitolactone |
| 2-(chloromethyl)-4-methyl-2H-furan-5-one |
| DTXSID60532054 |
| RWOREBHQQOTRGU-UHFFFAOYSA-N |
| AKOS006381732 |
| 2(5H)-Furanone, 5-chloromethyl-3-methyl |
| 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 | 91.49% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.38% | 95.56% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 13251181 |
| LOTUS | LTS0091863 |
| wikiData | Q82404368 |