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CHEBI:136271 - bicyclopyrone

ChEBI IDCHEBI:136271
ChEBI Namebicyclopyrone
Stars
DefinitionA member of the class of pyridines that is pyridine which is substituted at positions 2, 3, and 6 by (2-methoxyethoxy)methyl, (2-hydroxy-4-oxobicyclo[3.2.1]oct-2-en-3-yl)carbonyl, and trifluoromethyl groups, respectively. It is a broad-spectrum herbicide developed by Syngenta and used for the pre- and post-emergence control of weeds in corn.
Last Modified16 August 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC19H20F3NO5
Net Charge0
Average Mass399.365
Monoisotopic Mass399.12936
SMILESCOCCOCc1nc(C(F)(F)F)ccc1C(=O)C1=C(O)[C@@H]2CC[C@@H](C2)C1=O
InChIInChI=1S/C19H20F3NO5/c1-27-6-7-28-9-13-12(4-5-14(23-13)19(20,21)22)18(26)15-16(24)10-2-3-11(8-10)17(15)25/h4-5,10-11,24H,2-3,6-9H2,1H3/t10-,11+/m1/s1
InChIKeyHUYBEDCQLAEVPD-MNOVXSKESA-N
Roles Classification
Biological Role:
carotenoid biosynthesis inhibitor  Any pathway inhibitor that acts on the carotenoid biosynthesis pathway.
Applications:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
bicyclopyrone (CHEBI:136271) has role agrochemical (CHEBI:33286)
bicyclopyrone (CHEBI:136271) has role carotenoid biosynthesis inhibitor (CHEBI:138208)
bicyclopyrone (CHEBI:136271) has role herbicide (CHEBI:24527)
bicyclopyrone (CHEBI:136271) is a aromatic ketone (CHEBI:76224)
bicyclopyrone (CHEBI:136271) is a carbobicyclic compound (CHEBI:36785)
bicyclopyrone (CHEBI:136271) is a enol (CHEBI:33823)
bicyclopyrone (CHEBI:136271) is a enone (CHEBI:51689)
bicyclopyrone (CHEBI:136271) is a ether (CHEBI:25698)
bicyclopyrone (CHEBI:136271) is a organofluorine compound (CHEBI:37143)
bicyclopyrone (CHEBI:136271) is a pyridines (CHEBI:26421)
bicyclopyrone (CHEBI:136271) is a β-diketone (CHEBI:67265)
IUPAC Name 
4-hydroxy-3-({2-[(2-methoxyethoxy)methyl]-6-(trifluoromethyl)pyridin-3-yl}carbonyl)bicyclo[3.2.1]oct-3-en-2-one
Synonyms  Source
4-hydroxy-3-{2-[(2-methoxyethoxy)methyl]-6-(trifluoromethyl)-3-pyridylcarbonyl}bicyclo[3.2.1]oct-3-en-2-oneAlan Wood's Pesticides
4-hydroxy-3-[[2-[(2-methoxyethoxy)methyl]-6-(trifluoromethyl)-3-pyridinyl]carbonyl]bicyclo[3.2.1]oct-3-en-2-oneAlan Wood's Pesticides
rac-(1R,5R)-4-hydroxy-3-{2-[(2-methoxyethoxy)methyl]-6-(trifluoromethyl)pyridine-3-carbonyl}bicyclo[3.2.1]oct-3-en-2-oneAlan Wood's Pesticides
Manual XrefsDatabases
bicyclopyroneAlan Wood's Pesticides
Registry NumbersSources
Reaxys:14616529Reaxys
CAS:352010-68-5ChemIDplus
CAS:352010-68-5Alan Wood's Pesticides
Citations