CHEBI:143952 - (Z,S)-cinerolone

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ChEBI Name (Z,S)-cinerolone ChEBI ID CHEBI:143952 ChEBI ASCII Name (Z,S)-cinerolone Definition A β-hydroxy ketone that is cyclopent-2-en-1-one which is substituted at positions 2, 3, and 4 by (2Z)-but-2-en-1-yl, methyl, and hydroxy groups, respectively (the 2S enantiomer). Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H14O2 Net Charge 0 Average Mass 166.220 Monoisotopic Mass 166.09938 InChI InChI=1S/C10H14O2/c1-3-4-5-8-7(2)9(11)6-10(8)12/h3-4,9,11H,5-6H2,1-2H3/b4-3-/t9-/m0/s1 InChIKey YLKLJBPHNWWPSF-TYRPZCRBSA-N SMILES C=1(C(C[C@H](O)C1C)=O)C/C=C\C ChEBI Ontology Outgoing (Z,S)-cinerolone (CHEBI:143952) is a β-hydroxy ketone (CHEBI:55380) (Z,S)-cinerolone (CHEBI:143952) is a alicyclic ketone (CHEBI:36132) (Z,S)-cinerolone (CHEBI:143952) is a enone (CHEBI:51689) (Z,S)-cinerolone (CHEBI:143952) is a monoterpenoid (CHEBI:25409) (Z,S)-cinerolone (CHEBI:143952) is a secondary allylic alcohol (CHEBI:134396) IUPAC Name (4S)-2-[(2Z)-but-2-en-1-yl]-4-hydroxy-3-methylcyclopent-2-en-1-one Synonyms Sources (4S)-2-(2'-cis-butenyl)-3-methyl-4-hydroxy-2-cyclopenten-1-one ChEBI (4S)-cis-cinerolone ChEBI (Z,S)-cinerolone UniProt 2-(2Z)-2-buten-1-yl-4-hydroxy-3-methyl-2-cyclopenten-1-one ChemIDplus cinerolon NIST Chemistry WebBook cis-cinerolone NIST Chemistry WebBook Z-cinerolone NIST Chemistry WebBook Registry Numbers Types Sources 17190-74-8 CAS Registry Number NIST Chemistry WebBook 17190-74-8 CAS Registry Number ChemIDplus Citation Type Source 30468448 PubMed citation SUBMITTER Last Modified 31 October 2019