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CHEBI:34839 - methoprene

Default Structure
ChEBI IDCHEBI:34839
ChEBI Namemethoprene
Stars
Last Modified18 September 2018
DownloadsMolfile
FormulaC19H34O3
Net Charge0
Average Mass310.478
Monoisotopic Mass310.25079
SMILESCOC(C)(C)CCCC(C)C/C=C/C(C)=C/C(=O)OC(C)C
InChIInChI=1S/C19H34O3/c1-15(2)22-18(20)14-17(4)11-8-10-16(3)12-9-13-19(5,6)21-7/h8,11,14-16H,9-10,12-13H2,1-7H3/b11-8+,17-14+
InChIKeyNFGXHKASABOEEW-LDRANXPESA-N
Roles Classification
Biological Role:
Application:
ChEBI Ontology
Outgoing Relation(s)
methoprene (CHEBI:34839) has role juvenile hormone mimic (CHEBI:24942)
methoprene (CHEBI:34839) is a isopropyl 11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate (CHEBI:39257)
methoprene (CHEBI:34839) is a isopropyl ester (CHEBI:35725)
Incoming Relation(s)
(R)-methoprene (CHEBI:39256) is a methoprene (CHEBI:34839)
(S)-methoprene (CHEBI:39255) is a methoprene (CHEBI:34839)
IUPAC Name 
propan-2-yl (2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate
Synonyms  Source
(E,E)-1-Methylethyl 11-methoxy-3,7,11-trimethyl-2,4-dodecadienoateKEGG COMPOUND
(E,E)-11-methoxy-3,7,11-trimethyl-2,4-dodecadienoic acid 1-methylethyl esterChemIDplus
(E,E)-isopropyl 11-methoxy-3,7,11-trimethyl-2,4-dodecadienoateChemIDplus
isopropyl (2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoateChemIDplus
isopropyl (EE)-(RS)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoateChemIDplus
MethopreneKEGG COMPOUND
Manual XrefsDatabases
1457VSDB
1457PPDB
C14308KEGG COMPOUND
D08200KEGG DRUG
Registry NumbersSources
Beilstein:1913191Beilstein
CAS:40596-69-8KEGG COMPOUND
CAS:40596-69-8ChemIDplus
CAS:41205-06-5ChemIDplus