CHEBI:3707 - cinerin II

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ChEBI Name cinerin II
ChEBI ID CHEBI:3707
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H28O5
Net Charge 0
Average Mass 360.44402
Monoisotopic Mass 360.19367
InChI InChI=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
InChIKey SHCRDCOTRILILT-WOBDGSLYSA-N
SMILES COC(=O)C(\C)=C\[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(C\C=C/C)=C2C)C1(C)C
Roles Classification
Application(s): phytogenic insecticide
An insecticide compound naturally occurring in plants.
(via pyrethrins )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid 3-(2-butenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester ChemIDplus
3-(but-2-enyl)-2-methyl-4-oxocyclopent-2-enyl 2,2-dimethyl-3-(3-methoxy-2-methyl-3-oxoprop-1-enyl)cyclopropanecarboxylate ChemIDplus
cinerin II UniProt
Cinerin II KEGG COMPOUND
Manual Xrefs Databases
2534 BPDB
2534 VSDB
C00003034 KNApSAcK
C09846 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
121-20-0 CAS Registry Number KEGG COMPOUND
121-20-0 CAS Registry Number ChemIDplus
2178019 Beilstein Registry Number Beilstein
Last Modified
20 June 2019