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CHEBI:137380 - prohexadione

ChEBI IDCHEBI:137380
ChEBI Nameprohexadione
Stars
DefinitionA 4-oxo monocarboxylic acid that is cyclohexanecarboxylic acid which is substituted by oxo groups at positions 3 and 5, and by a propanoyl group at position 4. A plant growth regulator, it is used (commonly as the corresponding calcium salt, known as prohexadione-calcium) as an anti-lodging agent in small-grain cereals.
Last Modified4 March 2018
Submitterjewie
DownloadsMolfile
FormulaC10H12O5
Net Charge0
Average Mass212.201
Monoisotopic Mass212.06847
SMILESCCC(=O)C1C(=O)CC(C(=O)O)CC1=O
InChIInChI=1S/C10H12O5/c1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13/h5,9H,2-4H2,1H3,(H,14,15)
InChIKeyBUCOQPHDYUOJSI-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
gibberellin biosynthesis inhibitor  Any compound that inhibits one or more steps in the pathway leading to the synthesis of gibberellins.
plant growth regulator  A chemical, natural or artificial, that can affect the rate of growth of a plant.
Application:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
ChEBI Ontology
Outgoing Relation(s)
prohexadione (CHEBI:137380) has role agrochemical (CHEBI:33286)
prohexadione (CHEBI:137380) has role gibberellin biosynthesis inhibitor (CHEBI:73193)
prohexadione (CHEBI:137380) has role plant growth regulator (CHEBI:26155)
prohexadione (CHEBI:137380) is a 4-oxo monocarboxylic acid (CHEBI:35950)
prohexadione (CHEBI:137380) is a β-triketone (CHEBI:140323)
prohexadione (CHEBI:137380) is conjugate acid of prohexadione(2−) (CHEBI:137424)
Incoming Relation(s)
prohexadione(2−) (CHEBI:137424) is conjugate base of prohexadione (CHEBI:137380)
IUPAC Name 
3,5-dioxo-4-propanoylcyclohexanecarboxylic acid
Synonyms  Source
3,5-dioxo-4-propionylcyclohexanecarboxylic acidIUPAC
3,5-dioxo-4-(1-oxopropyl)cyclohexanecarboxylic acidAlan Wood's Pesticides
DOCOCChemIDplus
3,5-dioxo-4-propanoylcyclohexane-1-carboxylic acidAlan Wood's Pesticides
Manual XrefsDatabases
prohexadioneAlan Wood's Pesticides
EP123001Patent
US4678496Patent
1719PPDB
Registry NumbersSources
Reaxys:7763236Reaxys
CAS:88805-35-0ChemIDplus
CAS:88805-35-0Alan Wood's Pesticides
Citations