CHEBI:27815 - pyrethrin I

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name pyrethrin I ChEBI ID CHEBI:27815 Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:8659, CHEBI:26411 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H28O3 Net Charge 0 Average Mass 328.44522 Monoisotopic Mass 328.20384 InChI InChI=1S/C21H28O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-/t16-,18+,19+/m1/s1 InChIKey ROVGZAWFACYCSP-VUMXUWRFSA-N SMILES CC(C)=C[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(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 pyrethrin I (CHEBI:27815) has functional parent (Z,S)-pyrethrolone (CHEBI:39111) pyrethrin I (CHEBI:27815) is a pyrethrins (CHEBI:39098) Incoming pyrethrin II (CHEBI:27474) has functional parent pyrethrin I (CHEBI:27815) IUPAC Name (1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dien-1-yl]cyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate Synonyms Sources chrysanthemum monocarboxylic acid pyrethrolone ester ChemIDplus Pyrethrin I KEGG COMPOUND pyrethrin I UniProt Manual Xrefs Databases C00003056 KNApSAcK C07594 KEGG COMPOUND D08452 KEGG DRUG View more database links Registry Numbers Types Sources 121-21-1 CAS Registry Number ChemIDplus 2004306 Beilstein Registry Number ChemIDplus Last Modified 20 June 2019