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> Main
CHEBI:63956 - isoxaben
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ChEBI Name
isoxaben
ChEBI ID
CHEBI:63956
Definition
A benzamide obtained by formal condensation of the carboxy group of 2,6-dimethoxybenzoic acid and the amino group of 3-(3-methylpentan-3-yl)-1,2-oxazol-5-amine.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C18H24N2O4
Net Charge
0
Average Mass
332.39420
Monoisotopic Mass
332.17361
InChI
InChI=1S/C18H24N2O4/c1-
6-
18(3,7-
2)
14-
11-
15(24-
20-
14)
19-
17(21)
16-
12(22-
4)
9-
8-
10-
13(16)
23-
5/h8-
11H,6-
7H2,1-
5H3,(H,19,21)
InChIKey
PMHURSZHKKJGBM-UHFFFAOYSA-N
SMILES
CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1
Roles Classification
Biological Role
(s):
cellulose synthesis inhibitor
An pathway inhibitor that inhibits the synthesis of cellulose.
Application
(s):
herbicide
A substance used to destroy plant pests.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
isoxaben (
CHEBI:63956
)
has role
cellulose synthesis inhibitor (
CHEBI:63958
)
isoxaben (
CHEBI:63956
)
has role
herbicide (
CHEBI:24527
)
isoxaben (
CHEBI:63956
)
is a
benzamides (
CHEBI:22702
)
isoxaben (
CHEBI:63956
)
is a
isoxazoles (
CHEBI:55373
)
IUPAC Name
2,6-dimethoxy-
N
-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide
Synonyms
Sources
2,6-Dimethoxy-N-(3-(1-ethyl-1-methylpropyl)-5-isoxazolyl)benzamide
ChemIDplus
N-(3-(1-Ethyl-1-methylpropyl)-5-isoxazolyl)-2,6-dimethoxybenzamide
ChemIDplus
Manual Xrefs
Databases
411
PPDB
C18504
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
6612136
Reaxys Registry Number
Reaxys
82558-50-7
CAS Registry Number
KEGG COMPOUND
82558-50-7
CAS Registry Number
ChemIDplus
82558-50-7
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
18413279
PubMed citation
Europe PMC
18485800
PubMed citation
Europe PMC
19103453
PubMed citation
Europe PMC
19198845
PubMed citation
Europe PMC
19269997
PubMed citation
Europe PMC
21421394
PubMed citation
Europe PMC
IND44386841
Agricola citation
Europe PMC
Last Modified
20 February 2012