CHEBI:3706 - cinerin I

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ChEBI Name cinerin I
ChEBI ID CHEBI:3706
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H28O3
Net Charge 0
Average Mass 316.43452
Monoisotopic Mass 316.204
InChI InChI=1S/C20H28O3/c1-7-8-9-14-13(4)17(11-16(14)21)23-19(22)18-15(10-12(2)3)20(18,5)6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7-/t15-,17+,18+/m1/s1
InChIKey FMTFEIJHMMQUJI-DFKXKMKHSA-N
SMILES C\C=C/CC1=C(C)[C@H](CC1=O)OC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C
Roles Classification
Application(s): phytogenic insecticide
An insecticide compound naturally occurring in plants.
(via pyrethrins )
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ChEBI Ontology
Outgoing cinerin I (CHEBI:3706) 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)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate
Synonyms Sources
2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid 3-(2-butenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester ChemIDplus
3-(2-butenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopentanecarboxylate ChemIDplus
Cinerin I KEGG COMPOUND
Manual Xrefs Databases
C00003033 KNApSAcK
C09845 KEGG COMPOUND
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Registry Numbers Types Sources
2158745 Beilstein Registry Number Beilstein
97-12-1 CAS Registry Number KEGG COMPOUND
97-12-1 CAS Registry Number ChemIDplus
Last Modified
28 July 2014