(5s,8s)-3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one (CHEBI:141400)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:141400 - (5s,8s)-3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one

Take structure to advanced search

ChEBI ID	CHEBI:141400
ChEBI Name	(5s,8s)-3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
Stars
ASCII Name	(5s,8s)-3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
Definition	An azaspiro compound that is spirotetramat in which the carbonate ester group has been hydrolysed to the corresponding hydroxy group. It is the active insecticide of the proinsecticicde spirotetramat.
Last Modified	10 May 2019
Submitter	Adnan
Downloads	Molfile

Formula	C18H23NO3
Net Charge	0
Average Mass	301.386
Monoisotopic Mass	301.16779
SMILES	CO[C@H]1CC[C@]2(CC1)NC(=O)C(c1cc(C)ccc1C)=C2O
InChI	InChI=1S/C18H23NO3/c1-11-4-5-12(2)14(10-11)15-16(20)18(19-17(15)21)8-6-13(22-3)7-9-18/h4-5,10,13,20H,6-9H2,1-3H3,(H,19,21)/t13-,18+
InChIKey	IDJJHEIUIYGFDX-QGGXVJLZSA-N

Roles Classification

Biological Role:	EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor An EC 6.4.1.* (C‒C bond-forming ligase) inhibitor that interferes with the action of acetyl-CoA carboxylase (EC 6.4.1.2).
Applications:	insecticide Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. agrochemical An agrochemical is a substance that is used in agriculture or horticulture.

ChEBI Ontology

Outgoing Relation(s)
	(5s,8s)-3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one (CHEBI:141400) has role agrochemical (CHEBI:33286)
	(5s,8s)-3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one (CHEBI:141400) has role EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor (CHEBI:70722)
	(5s,8s)-3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one (CHEBI:141400) has role insecticide (CHEBI:24852)
	(5s,8s)-3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one (CHEBI:141400) is a azaspiro compound (CHEBI:35624)
	(5s,8s)-3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one (CHEBI:141400) is a benzenes (CHEBI:22712)
	(5s,8s)-3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one (CHEBI:141400) is a enol (CHEBI:33823)
	(5s,8s)-3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one (CHEBI:141400) is a ether (CHEBI:25698)
	(5s,8s)-3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one (CHEBI:141400) is a organic hydroxy compound (CHEBI:33822)
	(5s,8s)-3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one (CHEBI:141400) is a tetramic acids (CHEBI:140155)

IUPAC Name
(5s,8s)-3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one

Synonyms	Source
cis-3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro(4.5)dec-3-en-2-one	ChemIDplus
spirotetramat-enol	ChEBI

Manual Xrefs	Databases
US2010324303	Patent

Registry Numbers	Sources
Reaxys:19128308	Reaxys
CAS:203312-38-3	ChemIDplus

Citations