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CHEBI:39114 - jasmolin II

ChEBI IDCHEBI:39114
ChEBI Namejasmolin II
Stars
Last Modified20 June 2019
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC22H30O5
Net Charge0
Average Mass374.477
Monoisotopic Mass374.20932
SMILESCC/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/C22H30O5/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6/h8-9,11,16,18-19H,7,10,12H2,1-6H3/b9-8-,13-11+/t16-,18+,19+/m1/s1
InChIKeyWKNSDDMJXANVMK-XIGJTORUSA-N
Roles Classification
Application:
phytogenic insecticide  An insecticide compound naturally occurring in plants.
ChEBI Ontology
Outgoing Relation(s)
jasmolin II (CHEBI:39114) is a methyl ester (CHEBI:25248)
jasmolin II (CHEBI:39114) is a pyrethrins (CHEBI:39098)
IUPAC Name 
(1S)-2-methyl-4-oxo-3-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl (1R,3R)-3-[(1E)-3-methoxy-2-methyl-3-oxoprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate
Synonym  Source
Jasmolin IIChemIDplus
UniProt Name  Source
jasmolin IIUniProt
Manual XrefsDatabases
C16781KEGG COMPOUND
2535VSDB
2535BPDB
Registry NumbersSources
Beilstein:2180906Beilstein
CAS:1172-63-0ChemIDplus
CAS:1172-63-0KEGG COMPOUND