Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:3707 - cinerin II
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
cinerin II
ChEBI ID
CHEBI:3707
Stars
This entity has been manually annotated by the ChEBI Team.
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
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
(1
S
)-
3-
[(2
Z
)-
but-
2-
en-
1-
yl]-
2-
methyl-
4-
oxocyclopent-
2-
en-
1-
yl (1
R
,3
R
)-
3-
[(1
E
)-
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