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CHEBI:3707 - cinerin II

ChEBI IDCHEBI:3707
ChEBI Namecinerin II
Stars
Last Modified20 June 2019
DownloadsMolfile
FormulaC21H28O5
Net Charge0
Average Mass360.450
Monoisotopic Mass360.19367
SMILESC/C=C\CC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](/C=C(\C)C(=O)OC)C2(C)C)CC1=O
InChIInChI=1S/C21H28O5/c1-7-8-9-14-13(3)17(11-16(14)22)26-20(24)18-15(21(18,4)5)10-12(2)19(23)25-6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7-,12-10+/t15-,17+,18+/m1/s1
InChIKeySHCRDCOTRILILT-WOBDGSLYSA-N
Roles Classification
Application:
phytogenic insecticide  An insecticide compound naturally occurring in plants.
ChEBI Ontology
Outgoing Relation(s)
cinerin II (CHEBI:3707) is a methyl ester (CHEBI:25248)
cinerin II (CHEBI:3707) is a pyrethrins (CHEBI:39098)
IUPAC Name 
(1S)-3-[(2Z)-but-2-en-1-yl]-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-3-[(1E)-3-methoxy-2-methyl-3-oxoprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate
Synonyms  Source
Cinerin IIKEGG COMPOUND
3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid 3-(2-butenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl esterChemIDplus
3-(but-2-enyl)-2-methyl-4-oxocyclopent-2-enyl 2,2-dimethyl-3-(3-methoxy-2-methyl-3-oxoprop-1-enyl)cyclopropanecarboxylateChemIDplus
UniProt Name  Source
cinerin IIUniProt
Manual XrefsDatabases
C09846KEGG COMPOUND
C00003034KNApSAcK
2534VSDB
2534BPDB
Registry NumbersSources
Beilstein:2178019Beilstein
CAS:121-20-0KEGG COMPOUND
CAS:121-20-0ChemIDplus