Chemical Component Summary | |
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Name | CYCLOHEXANONE |
Identifiers | cyclohexanone |
Formula | C6 H10 O |
Molecular Weight | 98.143 |
Type | NON-POLYMER |
Isomeric SMILES | C1CCC(=O)CC1 |
InChI | InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2 |
InChIKey | JHIVVAPYMSGYDF-UHFFFAOYSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 17 |
Chiral Atom Count | 0 |
Bond Count | 17 |
Aromatic Bond Count | 0 |
Drug Info: DrugBank
DrugBank ID | DB02060 |
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Name | Cyclohexanone |
Groups | experimental |
Description | Cyclohexanone (also known as oxocyclohexane, pimelic ketone, ketohexamethylene, cyclohexyl ketone or ketocyclohexane) is a six-carbon cyclic molecule with a ketone functional group. It is a colorless, oily liquid with an acetone-like smell. |
Synonyms | Cyclohexanone |
Categories |
|
CAS number | 108-94-1 |
Drug Targets
Name | Target Sequence | Pharmacological Action | Actions |
---|---|---|---|
Pentaerythritol tetranitrate reductase | MSAEKLFTPLKVGAVTAPNRVFMAPLTRLRSIEPGDIPTPLMGEYYRQRA... | unknown |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 7967 |
ChEMBL | CHEMBL18850 |
ChEBI | CHEBI:17854 |
CCDC/CSD | VUPREE, LASKOH, GOWTIV, SEHJAS, PURLEV, ZZZWGK03, OHAFOT, FOPWUD, CAQKAG, ZZZWGK01, NIWCUR, WUCHEH, PIWNOY, CAQJUZ, SEYRUJ, ZARZAV, GANRIX, VEVROD, SEHYEM, REKMOJ, DANSEQ, ZZZWGK04, DUJYUE, PAJTID, UWEHEM, KAWRIN |
COD | 7211799, 7207485, 7214895, 2206542 |